Formation of Al15Mn3Si2 Phase During Solidification of a Novel Al-12%Si-4%Cu-1.2%Mn Heat-Resistant Alloy and Its Thermal Stability

NASA Astrophysics Data System (ADS)

Suo, Xiaojing; Liao, Hengcheng; Hu, Yiyun; Dixit, Uday S.; Petrov, Pavel

2018-02-01

The formation of Al15Mn3Si2 phase in Al-12Si-4Cu-1.2Mn (wt.%) alloy during solidification was investigated by adopting CALPHAD method and microstructural observation by optical microscopy, SEM-EDS, TEM-EDS/SAD and XRD analysis; SEM fixed-point observation method was applied to evaluate its thermal stability. As-cast microstructural observation consistently demonstrates the solidification sequence of the studied alloy predicted by phase diagram calculation. Based on the phase diagram calculation, SEM-EDS, TEM-EDS/SAD and XRD analysis, as well as evidences on Al-Si-Mn-Fe compounds from the literature, the primary and eutectic Mn-rich phases with different morphologies in the studied alloy are identified to be Al15Mn3Si2 that has a body-centered cubic (BCC) structure with a lattice constant of a = 1.352 nm. SEM fixed-point observation and XRD analysis indicate that Al15Mn3Si2 phase has more excellent thermal stability at high temperature than that of CuAl2 phase and can serve as the major strengthening phase in heat-resistant aluminum alloy that has to face a high-temperature working environment. Results of tension test show that addition of Mn can improve the strength of Al-Si-Cu alloy, especially at elevated temperature.

The effects of alloying elements Al and In on Ni-Mn-Ga shape memory alloys, from first principles.

PubMed

Chen, Jie; Li, Yan; Shang, Jia-Xiang; Xu, Hui-Bin

2009-01-28

The electronic structures and formation energies of the Ni(9)Mn(4)Ga(3-x)Al(x) and Ni(9)Mn(4)Ga(3-x)In(x) alloys have been investigated using the first-principles pseudopotential plane-wave method based on density functional theory. The results show that both the austenite and martensite phases of Ni(9)Mn(4)Ga(3) alloy are stabilized by Al alloying, while they become unstable with In alloying. According to the partial density of states and structural energy analysis, different effects of Al and In alloying on the phase stability are mainly attributed to their chemical effects. The formation energy difference between the austenite and martensite phases decreases with Al or In alloying, correlating with the experimentally reported changes in martensitic transformation temperature. The shape factor plays an important role in the decrease of the formation energy difference.

Phase relations of iron and iron nickel alloys up to 300 GPa: Implications for composition and structure of the Earth's inner core

NASA Astrophysics Data System (ADS)

Kuwayama, Yasuhiro; Hirose, Kei; Sata, Nagayoshi; Ohishi, Yasuo

2008-09-01

We have investigated the phase relations of iron and iron-nickel alloys with 18 to 50 wt.% Ni up to over 300 GPa using a laser-heated diamond-anvil cell. The synchrotron X-ray diffraction measurements show the wide stability of hcp-iron up to 301 GPa and 2000 K and 319 GPa and 300 K without phase transition to dhcp, orthorhombic, or bcc phases. On the other hand, the incorporation of nickel has a remarkable effect on expanding the stability field of fcc phase. The geometry of the temperature-composition phase diagram of iron-nickel alloys suggests that the hcp-fcc-liquid triple point is located at 10 to 20 wt.% Ni at the pressure of the inner core boundary. The fcc phase could crystallize depending on the nickel and silicon contents in the Earth's core, both of which are fcc stabilizer.

Stabilization mechanism of γ-Mg17Al12 and β-Mg2Al3 complex metallic alloys

NASA Astrophysics Data System (ADS)

Vrtnik, S.; Jazbec, S.; Jagodič, M.; Korelec, A.; Hosnar, L.; Jagličić, Z.; Jeglič, P.; Feuerbacher, M.; Mizutani, U.; Dolinšek, J.

2013-10-01

Large-unit-cell complex metallic alloys (CMAs) frequently achieve stability by lowering the kinetic energy of the electron system through formation of a pseudogap in the electronic density of states (DOS) across the Fermi energy ɛF. By employing experimental techniques that are sensitive to the electronic DOS in the vicinity of ɛF, we have studied the stabilization mechanism of two binary CMA phases from the Al-Mg system: the γ-Mg17Al12 phase with 58 atoms in the unit cell and the β-Mg2Al3 phase with 1178 atoms in the unit cell. Since the investigated alloys are free from transition metal elements, orbital hybridization effects must be small and we were able to test whether the alloys obey the Hume-Rothery stabilization mechanism, where a pseudogap in the DOS is produced by the Fermi surface-Brillouin zone interactions. The results have shown that the DOS of the γ-Mg17Al12 phase exhibits a pronounced pseudogap centered almost exactly at ɛF, which is compatible with the theoretical prediction that this phase is stabilized by the Hume-Rothery mechanism. The disordered cubic β-Mg2Al3 phase is most likely entropically stabilized at high temperatures, whereas at lower temperatures stability is achieved by undergoing a structural phase transition to more ordered rhombohedral β‧ phase at 214 ° C, where all atomic sites become fully occupied. No pseudogap in the vicinity of ɛF was detected for the β‧ phase on the energy scale of a few 100 meV as determined by the ‘thermal observation window’ of the Fermi-Dirac function, so that the Hume-Rothery stabilization mechanism is not confirmed for this compound. However, the existence of a much broader shallow pseudogap due to several critical reciprocal lattice vectors \\buildrel{\\rightharpoonup}\\over{G} that simultaneously satisfy the Hume-Rothery interference condition remains the most plausible stabilization mechanism of this phase. At Tc = 0.85 K, the β‧ phase undergoes a superconducting transition, which slightly increases the cohesive energy and may contribute to relative stability of this phase against competing neighboring phases.

Equilibrium high entropy alloy phase stability from experiments and thermodynamic modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saal, James E.; Berglund, Ida S.; Sebastian, Jason T.

Long-term stability of high entropy alloys (HEAs) is a critical consideration for the design and practical application of HEAs. It has long been assumed that many HEAs are a kinetically-stabilized metastable structure, and recent experiments have confirmed this hypothesis by observing HEA ecomposition after long-termequilibration. In the presentwork,we demonstrate the use of the CALculation of PHAse Diagrams (CALPHAD) approach to predict HEA stability and processing parameters, comparing experimental long-term annealing observations to CALPHAD phase diagrams from a commercially-available HEA database. As a result, we find good agreement between single- and multi-phase predictions and experiments.

Equilibrium high entropy alloy phase stability from experiments and thermodynamic modeling

DOE PAGES

Saal, James E.; Berglund, Ida S.; Sebastian, Jason T.; ...

2017-10-29

Long-term stability of high entropy alloys (HEAs) is a critical consideration for the design and practical application of HEAs. It has long been assumed that many HEAs are a kinetically-stabilized metastable structure, and recent experiments have confirmed this hypothesis by observing HEA ecomposition after long-termequilibration. In the presentwork,we demonstrate the use of the CALculation of PHAse Diagrams (CALPHAD) approach to predict HEA stability and processing parameters, comparing experimental long-term annealing observations to CALPHAD phase diagrams from a commercially-available HEA database. As a result, we find good agreement between single- and multi-phase predictions and experiments.

Phase Stability and Stress-Induced Transformations in Beta Titanium Alloys

NASA Astrophysics Data System (ADS)

Kolli, R. Prakash; Joost, William J.; Ankem, Sreeramamurthy

2015-06-01

In this article, we provide a brief review of the recent developments related to the relationship between phase stability and stress-induced transformations in metastable body-centered-cubic β-phase titanium alloys. Stress-induced transformations occur during tensile, compressive, and creep loading and influence the mechanical response. These transformations are not fully understood and increased understanding of these mechanisms will permit future development of improved alloys for aerospace, biomedical, and energy applications. In the first part of this article, we review phase stability and discuss a few recent developments. In the second section, we discuss the current status of understanding stress-induced transformations and several areas that require further study. We also provide our perspective on the direction of future research efforts. Additionally, we address the occurrence of the hcp ω-phase and the orthorhombic α″-martensite phase stress-induced transformations.

Structural phase transition, electronic structure and optical properties of half Heusler alloys LiBeZ (Z = As, Sb)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Amudhavalli, A.; Rajeswarapalanichamy, R., E-mail: rajeswarapalanichamy@gmail.com

2016-05-23

Ab initio calculations are performed to investigate the structural stability, electronic structure, mechanical properties and optical properties of half Heusler alloys (LiBeAs and LiBeSb) for three different phases of zinc blende crystal structure. Among the considered phases, α- phase is found to be the most stable phase for these alloys at normal pressure. A pressure induced structural phase transition from α-phase to β- phase is observed for LiBeAs. The electronic structure reveals that these alloys are semiconductors. The optical properties confirm that these alloys are semiconductor in nature.

First principles study of surface stability and segregation of PdRuRh ternary metal alloy system

NASA Astrophysics Data System (ADS)

Aspera, Susan Meñez; Arevalo, Ryan Lacdao; Nakanishi, Hiroshi; Kasai, Hideaki

2018-05-01

The recognized importance on the studies of alloyed materials is due to the high possibility of forming designer materials that caters to different applications. In any reaction and application, the stability and configuration of the alloy combination are important. In this study, we analyzed the surface stability and segregation of ternary metal alloy system PdRuRh through first principles calculation using density functional theory (DFT). We considered the possibility of forming phases as observed in the binary combinations of elements, i.e., completely miscible, and separating phases. With that, the model we analyzed for the ternary metal alloy slabs considers forming complete atomic miscibility, segregation of each component, and segregation of one component with mixing of the two other. Our results show that for the ternary combination of Pd, Rh and Ru, the Pd atoms have high tendency to segregate at the surface, while due to the high tendency of Ru and Rh to mix, core formation of a mixed RuRh is possible. Also, we determined that the trend of stability in the binary alloy system is a good determinant of stability in the ternary alloy system.

Computational thermodynamics aided design of novel ferritic alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Ying; Chen, Tianyi; Tan, Lizhen

With the aid of computational thermodynamics, Ni was identified to suppress the liquidus temperature of Fe 2Zr and four Fe-Cr-Ni-Zr alloys were designed to study the Ni effect on the phase stability of Fe 2Zr laves_phase. These alloys were fabricated through traditional arc-metling, followed by annealing at 1000 C for 336 hours and 700 C for 1275 hours. The microstructure were examined and characterized by SEM BSE image, EDS compositional mapping and point scan, XRD and TEM analysis. The major results were summarized below: 1)For investigated alloys with 12wt% Cr, 3~6wt% Zr and 3~9 wt%Ni, the phases in equilibrium withmore » the BCC phase are C15_Laves phase, Fe 23Zr 6 phase. The volume fraction of intermetallic phases increases with Ni and Zr contents. 2)Instead of (Fe,Cr) 2Zr C14_Laves phase, Ni stabilizes the C15_Laves structure in Fe-Cr-Ni-Zr alloys by substituting Fe and Cr atoms with Ni atoms in the first sublattice. 3)Fe 23Zr 6, that is metastable in the Fe-Cr-Zr ternary, is also stabilized by Ni addition. 4)Ni 7Zr 2 phase was observed in samples with high Ni/Zr ratio. Extensive solubility of Fe was identified in the phase. The microstructural and composition results obtained from this study will be incorportated into the the Fe-Cr-Ni-Zr database. The current samples will be subjected to ion irradiaition to be compared with those results for Fe-Cr-Zr alloys. Additional alloys will be designed to form (Fe,Cr,Ni) 2Zr nanoprecipitates for further studies.« less

Correlations of phase structure and thermal stability for Alnico 8 alloys

NASA Astrophysics Data System (ADS)

Zhao, J. T.; Sun, Y. L.; Liu, L.; Lee, D.; Liu, Z.; Feng, X. C.; Yan, A. R.

2017-11-01

The correlations of phase structure and thermal stability for Alnico 8 alloys is analyzed by three-step aging at 650 °C, 600 °C and 550 °C gradually in this paper. After three-step aging the a1 phase is a chess-like structure in transverse direction and a bamboo-like structure in longitudinal direction. Meanwhile the magnetic energy product ((BH)m) increases from 9.17 MGOe to 10.59 MGOe, and the remanence temperature coefficient a(RT-180 °C) reduces from -2.31 %%/°C to -1.25 %%/°C. The MPMS and VSM measurements indicate that three-step aging makes the a1 phase be single domain particles and dispersed distribution, which plays an important role in optimizing the thermal stability of Alnico alloys.

Investigation of phase stability of novel equiatomic FeCoNiCuZn based-high entropy alloy prepared by mechanical alloying

NASA Astrophysics Data System (ADS)

Soni, Vinay Kumar; Sanyal, S.; Sinha, S. K.

2018-05-01

The present work reports the structural and phase stability analysis of equiatomic FeCoNiCuZn High entropy alloy (HEA) systems prepared by mechanical alloying (MA) method. In this research effort some 1287 alloy combinations were extensively studied to arrive at most favourable combination. FeCoNiCuZn based alloy system was selected on the basis of physiochemical parameters such as enthalpy of mixing (ΔHmix), entropy of mixing (ΔSmix), atomic size difference (ΔX) and valence electron concentration (VEC) such that it fulfils the formation criteria of stable multi component high entropy alloy system. In this context, we have investigated the effect of novel alloying addition in view of microstructure and phase formation aspect. XRD plots of the MA samples shows the formation of stable solid solution with FCC (Face Cantered Cubic) after 20 hr of milling time and no indication of any amorphous or intermetallic phase formation. Our results are in good agreement with calculation and analysis done on the basis of physiochemical parameters during selection of constituent elements of HEA.

Understanding phase stability of Al-Co-Cr-Fe-Ni high entropy alloys

DOE PAGES

Zhang, Chuan; Zhang, Fan; Diao, Haoyan; ...

2016-07-19

The concept of high entropy alloy (HEA) opens a vast unexplored composition range for alloy design. As a well-studied system, Al-Co-Cr-Fe-Ni has attracted tremendous amount of attention to develop new-generation low-density structural materials for automobile and aerospace applications. In spite of intensive investigations in the past few years, the phase stability within this HEA system is still poorly understood and needs to be clarified, which poses obstacles to the discovery of promising Al-Co-Cr-Fe-Ni HEAs. In the present work, the CALPHAD approach is employed to understand the phase stability and explore the phase transformation within the Al-Co-Cr-Fe-Ni system. As a result,more » the phase-stability mapping coupled with density contours is then constructed within the composition - temperature space, which provides useful guidelines for the design of low-density Al-Co-Cr-Fe-Ni HEAs with desirable properties.« less

Understanding phase stability of Al-Co-Cr-Fe-Ni high entropy alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Chuan; Zhang, Fan; Diao, Haoyan

The concept of high entropy alloy (HEA) opens a vast unexplored composition range for alloy design. As a well-studied system, Al-Co-Cr-Fe-Ni has attracted tremendous amount of attention to develop new-generation low-density structural materials for automobile and aerospace applications. In spite of intensive investigations in the past few years, the phase stability within this HEA system is still poorly understood and needs to be clarified, which poses obstacles to the discovery of promising Al-Co-Cr-Fe-Ni HEAs. In the present work, the CALPHAD approach is employed to understand the phase stability and explore the phase transformation within the Al-Co-Cr-Fe-Ni system. As a result,more » the phase-stability mapping coupled with density contours is then constructed within the composition - temperature space, which provides useful guidelines for the design of low-density Al-Co-Cr-Fe-Ni HEAs with desirable properties.« less

Investigation on microstructure characterization and property of rapidly solidified Mg-Zn-Ca-Ce-La alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou Tao, E-mail: tzhou1118@163.com; Chen Zhenhua, E-mail: chenzhenhua45@hotmail.com; Yang Mingbo, E-mail: yangmingbo@cqit.edu.cn

2012-01-15

Rapidly solidified (RS) Mg-Zn-Ca-Ce-La (wt.%) alloys have been produced via atomizing the alloy melt and subsequent splat-quenching on the water-cooled copper twin-rollers in the form of flakes. Microstructure characterization, phase compositions and thermal stability of the alloys have been systematically investigated. The results showed that with addition of RE (Ce and La) to the Mg-6Zn-5Ca alloy, the stable intermetallic compounds i.e. the Mg{sub x}Zn{sub y}RE{sub z} phase with a few Ca (about 3 at.%), shortened as the T Prime phase, were formed at the expense of the binary Mg-Zn and Ca{sub 2}Mg{sub 6}Zn{sub 3} phases, which was possibly beneficial tomore » the enhanced thermal stability of the alloy. In the Mg-6Zn-5Ca-3Ce-0.5La alloy, the composition of the T Prime phase in the grain interior was different from that at the grain boundaries, in which the segregation of the La elements was found, and the atomic percentage ratio of Zn to Ce in the T Prime phase within the grains was close to 2. Moreover, the stable Mg{sub 2}Ca phases were detected around the T Prime phases at the grain boundaries in the alloy. - Research Highlights: Black-Right-Pointing-Pointer The phase constitution of RS Mg-6Zn-5Ca alloy can be improved by RE additions. Black-Right-Pointing-Pointer In the Mg-Zn-Ca-Ce-La alloys, the Mg{sub x}Zn{sub y}RE{sub z} phase with a few Ca (T Prime phase) is formed. Black-Right-Pointing-Pointer The formation of the T Prime phase leads to the loss of the Mg-Zn and Ca{sub 2}Mg{sub 6}Zn{sub 3} phases. Black-Right-Pointing-Pointer The composition of the T Prime phase differs from the grain interior to the grain boundary.« less

Study on Phase Stability of New Ni Based Superalloy Less 1 Designed to Low the ETA and Sigma Phase Fraction at 700 °C

NASA Astrophysics Data System (ADS)

Youn, Jeong Il; Shin, Yong Kwan; Kang, Byung Il; Kim, Young Jig; Suk, Jhin Ik; Ryu, Seok Hyeon

The alloys required for fossil power plants are altered from stainless steel that has been used below 600 °C to Ni-based alloy that can operate over 700 °C for advanced ultra super critical (A-USC) steam turbine. The IN 740 alloy is proposed for improved rupture strength and corrosion resistance at high temperature. However, previous studies with experiments and simulations on stable phases at over 700 °C have indicated the formation of the eta phase with the wasting of the gamma prime phase, which is the most important reinforced phase in precipitation hardened Ni alloys. This results in the formation of precipitation free zones to decrease the strength. LESS 1 alloy designed through some modifications of IN 740 was suggested in this study. LESS 1 showed the phase stability more than IN 740 due to the optimum composition of Cr, Mo, Ti and Al. The experimental results established that a needle-shaped eta phase was formed in the grain boundary and it grew to intra-grain, and a precipitation free zone was also observed in IN 740, but these defects were entirely controlled in LESS 1.

Nonequilibrium Phase Chemistry in High Temperature Structure Alloys

NASA Technical Reports Server (NTRS)

Wang, R.

1991-01-01

Titanium and nickel aluminides of nonequilibrium microstructures and in thin gauge thickness were identified, characterized and produced for potential high temperature applications. A high rate sputter deposition technique for rapid surveillance of the microstructures and nonequilibrium phase is demonstrated. Alloys with specific compositions were synthesized with extended solid solutions, stable dispersoids, and specific phase boundaries associated with different heat treatments. Phase stability and mechanical behavior of these nonequilibrium alloys were investigated and compared.

First-principles study of intermetallic phase stability in the ternary Ti-Al-Nb alloy system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Asta, M.; Ormeci, A.; Wills, J.M.

The stability of bcc-based phases in the Ti-Al-Nb alloy system has been studied from first-principles using a combination of ab-initio total energy and cluster variation method (CVM) calculations. Total energies have been computed for 18 binary and ternary bcc superstructures in order to determine low temperature ordering tendencies. From the results of these calculations a set of effective cluster interaction parameters have been derived. These interaction parameters are required input for CVM computations of alloy thermodynamic properties. The CVM has been used to study the effect of composition on finite-temperature ordering tendencies and site preferences for bcc-based phases. Strong orderingmore » tendencies are observed for binary Nb-Al and Ti-Al bcc phases as well as for ternary alloys with compositions near Ti{sub 2}AlNb. For selected superstructures we have also analyzed structural stabilities with respect to tetragonal distortions which transform the bcc into an fcc lattice. Instabilities with respect to such distortions are found to exist for binary but not ternary bcc compounds.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yablinsky, C. A.; Tippey, K. E.; Vaynman, S.

In this study, the development of oxide dispersion strengthened ferrous alloys has shown that microstructures designed for excellent irradiation resistance and thermal stability ideally contain stable nanoscale precipitates and dislocation sinks. Based upon this understanding, the microstructures of conventionally manufactured ferritic and ferritic-martensitic steels can be designed to include controlled volume fractions of fine, stable precipitates and dislocation sinks via specific alloying and processing paths. The concepts proposed here are categorized as advanced high-Cr ferritic-martensitic (AHCr-FM) and novel tailored precipitate ferritic (TPF) steels, which have the potential to improve the in-reactor performance of conventionally manufactured alloys. AHCr-FM steels have modifiedmore » alloy content relative to current reactor materials (such as alloy NF616/P92) to maximize desirable precipitates and control phase stability. TPF steels are designed to incorporate nickel aluminides, in addition to microalloy carbides, in a ferritic matrix to produce fine precipitate arrays with good thermal stability. Both alloying concepts may also benefit from thermomechanical processing to establish dislocation sinks and modify phase transformation behaviors. Alloying and processing paths toward designed microstructures are discussed for both AHCr-FM and TPF material classes.« less

Plutonium Metallurgy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Freibert, Franz J.

2012-08-09

Due to its nuclear properties, Pu will remain a material of global interest well into the future. Processing, Structure, Properties and Performance remains a good framework for discussion of Pu materials science Self-irradiation and aging effects continue to be central in discussions of Pu metallurgy Pu in its elemental form is extremely unstable, but alloying helps to stabilize Pu; but, questions remain as to how and why this stabilization occurs. Which is true Pu-Ga binary phase diagram: US or Russian? Metallurgical issues such as solute coring, phase instability, crystallographic texture, etc. result in challenges to casting, processing, and properties modelingmore » and experiments. For Ga alloyed FCC stabilized Pu, temperature and pressure remain as variables impacting phase stability.« less

First-principles phase stability at high temperatures and pressure in Nb 90Zr 10 alloy

DOE PAGES

Landa, A.; Soderlind, P.

2016-08-18

The phase stability of Nb 90Zr 10 alloy at high temperatures and compression is explored by means of first-principles electronic-structure calculations. Utilizing the self-consistent ab initio lattice dynamics (SCAILD) approach in conjunction with density-functional theory, we show that pressure-induced mechanical instability of the body-centered cubic phase, which results in formation of a rhombohedral phase at around 50 GPa, will prevail significant heating. As a result, the body-centered cubic structure will recover before melting at ~1800 K.

Thermodynamic analysis and purifying an amorphous phase of frozen crystallization centers

NASA Astrophysics Data System (ADS)

Lysov, V. I.; Tsaregradskaya, T. L.; Turkov, O. V.; Saenko, G. V.

2017-12-01

The possibility of dissolving frozen crystallization centers in amorphous alloys of the Fe-B system is considered by means of thermodynamic calculations. This can in turn improve the thermal stability of an amorphous alloy. The effect isothermal annealing has on the thermal stability of multicomponent amorphous alloys based on iron is investigated via the highly sensitive dilatometric technique, measurements of microsolidity, and electron microscopic investigations. The annealing temperature is determined empirically on the basis of the theses of the thermodynamic theory of the high temperature stability of multicomponent amorphous alloys, according to which there exists a range of temperatures that is characterized by a negative difference between the chemical potentials of phases in a heterogeneous amorphous matrix-frozen crystallization centers system. The thermodynamic condition of the possible dissolution of frozen crystallization centers is thus met. It is shown that introducing regimes of thermal processing allows us to expand the ranges of the thermal stability of iron-based amorphous alloys by 20-40 K through purifying an amorphous matrix of frozen crystallization centers. This conclusion is proved via electron microscopic investigations.

Criteria for predicting the formation of single-phase high-entropy alloys

DOE PAGES

Troparevsky, M Claudia; Morris, James R..; Kent, Paul R.; ...

2015-03-15

High entropy alloys constitute a new class of materials whose very existence poses fundamental questions. Originally thought to be stabilized by the large entropy of mixing, these alloys have attracted attention due to their potential applications, yet no model capable of robustly predicting which combinations of elements will form a single-phase currently exists. Here we propose a model that, through the use of high-throughput computation of the enthalpies of formation of binary compounds, is able to confirm all known high-entropy alloys while rejecting similar alloys that are known to form multiple phases. Despite the increasing entropy, our model predicts thatmore » the number of potential single-phase multicomponent alloys decreases with an increasing number of components: out of more than two million possible 7-component alloys considered, fewer than twenty single-phase alloys are likely.« less

Comparison of the microstructure and phase stability of as-cast, CAD/CAM and powder metallurgy manufactured Co-Cr dental alloys.

PubMed

Li, Kai Chun; Prior, David J; Waddell, J Neil; Swain, Michael V

2015-12-01

The objective of this study was to identify the different microstructures produced by CC, PM and as-cast techniques for Co-Cr alloys and their phase stability following porcelain firings. Three bi-layer porcelain veneered Co-Cr specimens and one monolithic Co-Cr specimen of each alloy group [cast, powder metallurgy (PM), CAD/CAM (CC)] were manufactured and analyzed using electron backscatter diffraction (EBSD), energy dispersive spectrometry (EDS) and X-ray diffraction (XRD). Specimens were treated to incremental numbers of porcelain firings (control 0, 5, 15) with crystallographic data, grain size and chemical composition subsequently obtained and analyzed. EBSD datasets of the cast alloy indicated large grains >200 μm whereas PM and CC alloy consisted of mean arithmetic grain sizes of 29.6 μm and 19.2 μm respectively. XRD and EBSD results both indicated the highest increase in hcp content (>13vol%) for cast Co-Cr alloy after treatment with porcelain firing while PM and CC indicated <2vol% hcp content. A fine grain interfacial layer developed on all surfaces of the alloy after porcelain firing. The depth of this layer increased with porcelain firings for as-cast and PM but no significant increase (p>.05) was observed in CC. EDS line scans indicated an increase in Cr content at the alloy surface after porcelain firing treatment for all three alloys. PM and CC produced alloy had superior fcc phase stability after porcelain firings compared to a traditional cast alloy. It is recommended that PM and CC alloys be used for porcelain-fused-to-metal restorations. Copyright © 2015 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

Influence of transition group elements on the stability of the δ- and η-phase in nickelbase alloys

NASA Astrophysics Data System (ADS)

Bäker, Martin; Rösler, Joachim; Hentrich, Tatiana; Ackland, Graeme

2018-01-01

To improve the high-temperature capability of 718-type wrought nickel-base superalloys, the γ \\prime -phase ({{Ni}}3{Al}) can be stabilized. However, this also reduces the size of the forging window because forging has to be done above the γ \\prime - and below the solvus temperature of the phase that is used to enable fine-grain forging, i.e. the δ-phase of {{Ni}}3{Nb} type or the η-phase of {{Ni}}3{Ti}-type. Understanding the influence of alloying elements on the formation of these phases is therefore important. In this paper, density functional theory calculations at 0 K are performed to determine the stabilizing effect of aluminium and of the transition group elements on the stability of the δ-phase and η-phase. Most of the transition group elements of 5th and 6th period stabilize the δ-phase, whereas the stabilizing effect on the η-phase is weaker. According to the calculations, Mo, Tc, W, Re, and Os may be expected to stabilize the δ-phase but not the η-phase, whereas Al and Zn strongly stabilize the η-phase. V, Zr, Ru, Rh, Pd, Ag, Cd, Hf, Ta, Ir, Pt, Au, and Hg stabilize both phases. For some elements (Cr, Mn, Fe, Co), magnetic effects in the δ and especially in the η-phase are shown to be significant at the concentrations studied here.

Influence of Cu on modifying the beta phase and enhancing the mechanical properties of recycled Al-Si-Fe cast alloys.

PubMed

Basak, C B; Babu, N Hari

2017-07-18

High iron impurity affects the castability and the tensile properties of the recycled Al-Si alloys due to the presence of the Fe containing intermetallic β-Al 9 Fe 2 Si 2 phase. To date only Mn addition is known to transform the β-Al 9 Fe 2 Si 2 phase in the Al-Si-Fe system. However, for the first time, as reported here, it is shown that β-phase transforms to the ω-Al 7 Cu 2 Fe phase in the presence of Cu, after solutionization at 793 K. The ω-phase decomposes below 673 K resulting into the formation of θ-Al 2 Cu phase. However, the present thermodynamic description of the Al-Si-Fe-Cu system needs finer tuning to accurately predict the stability of the ω-phase in these alloys. In the present study, an attempt was made to enhance the strength of Al-6wt%Si-2wt%Fe model recycled cast alloy with different amount of Cu addition. Microstructural and XRD analysis were carried out in detail to show the influence of Cu and the stability range of the ω-phase. Tensile properties and micro-hardness values are also reported for both as-cast and solutionized alloys with different amount of Cu without and with ageing treatment at 473 K. The increase in strength due to addition of Cu, in Fe-rich Al-Si alloys is promising from the alloy recyclability point of view.

Room-Temperature Deformation and Martensitic Transformation of Two Co-Cr-Based Alloys

NASA Astrophysics Data System (ADS)

Cai, S.; Schaffer, J. E.; Huang, D.; Gao, J.; Ren, Y.

2018-05-01

Deformation of two Co-Cr alloys was studied by in situ synchrotron X-ray diffraction. Both alloys show stress-induced martensite transformation, which is affected by phase stabilities and transformation strains. Crystal structure of WC in Co-20Cr-15W-10Ni is identified. Compared with other phases present, it is elastically isotropic, exhibits high strength, and can elastically withstand strains exceeding 1 pct. Texture change during phase transformation is explained based on the crystal orientation relationship between γ- and ɛ-phases.

Room-Temperature Deformation and Martensitic Transformation of Two Co-Cr-Based Alloys

NASA Astrophysics Data System (ADS)

Cai, S.; Schaffer, J. E.; Huang, D.; Gao, J.; Ren, Y.

2018-07-01

Deformation of two Co-Cr alloys was studied by in situ synchrotron X-ray diffraction. Both alloys show stress-induced martensite transformation, which is affected by phase stabilities and transformation strains. Crystal structure of WC in Co-20Cr-15W-10Ni is identified. Compared with other phases present, it is elastically isotropic, exhibits high strength, and can elastically withstand strains exceeding 1 pct. Texture change during phase transformation is explained based on the crystal orientation relationship between γ- and ɛ-phases.

Strengthening behavior of beta phase in lamellar microstructure of TiAl alloys

NASA Astrophysics Data System (ADS)

Zhu, Hanliang; Seo, D. Y.; Maruyama, K.

2010-01-01

β phase can be introduced to TiAl alloys by the additions of β stabilizing elements such as Cr, Nb, W, and Mo. The β phase has a body-centered cubic lattice structure and is softer than the α2 and γ phases in TiAl alloys at elevated temperatures, and hence is thought to have a detrimental effect on creep strength. However, fine β precipitates can be formed at lamellar interfaces by proper heat treatment conditions and the β interfacial precipitate improves the creep resistance of fully lamellar TiAl alloys, since the phase interface of γ/β retards the motion of dislocations during creep. This paper reviews recent research on high-temperature strengthening behavior of the β phase in fully lamellar TiAl alloys.

Novel phase diagram behavior and materials design in heterostructural semiconductor alloys

PubMed Central

Holder, Aaron M.; Siol, Sebastian; Ndione, Paul F.; Peng, Haowei; Deml, Ann M.; Matthews, Bethany E.; Schelhas, Laura T.; Toney, Michael F.; Gordon, Roy G.; Tumas, William; Perkins, John D.; Ginley, David S.; Gorman, Brian P.; Tate, Janet; Zakutayev, Andriy; Lany, Stephan

2017-01-01

Structure and composition control the behavior of materials. Isostructural alloying is historically an extremely successful approach for tuning materials properties, but it is often limited by binodal and spinodal decomposition, which correspond to the thermodynamic solubility limit and the stability against composition fluctuations, respectively. We show that heterostructural alloys can exhibit a markedly increased range of metastable alloy compositions between the binodal and spinodal lines, thereby opening up a vast phase space for novel homogeneous single-phase alloys. We distinguish two types of heterostructural alloys, that is, those between commensurate and incommensurate phases. Because of the structural transition around the critical composition, the properties change in a highly nonlinear or even discontinuous fashion, providing a mechanism for materials design that does not exist in conventional isostructural alloys. The novel phase diagram behavior follows from standard alloy models using mixing enthalpies from first-principles calculations. Thin-film deposition demonstrates the viability of the synthesis of these metastable single-phase domains and validates the computationally predicted phase separation mechanism above the upper temperature bound of the nonequilibrium single-phase region. PMID:28630928

Novel phase diagram behavior and materials design in heterostructural semiconductor alloys.

PubMed

Holder, Aaron M; Siol, Sebastian; Ndione, Paul F; Peng, Haowei; Deml, Ann M; Matthews, Bethany E; Schelhas, Laura T; Toney, Michael F; Gordon, Roy G; Tumas, William; Perkins, John D; Ginley, David S; Gorman, Brian P; Tate, Janet; Zakutayev, Andriy; Lany, Stephan

2017-06-01

Structure and composition control the behavior of materials. Isostructural alloying is historically an extremely successful approach for tuning materials properties, but it is often limited by binodal and spinodal decomposition, which correspond to the thermodynamic solubility limit and the stability against composition fluctuations, respectively. We show that heterostructural alloys can exhibit a markedly increased range of metastable alloy compositions between the binodal and spinodal lines, thereby opening up a vast phase space for novel homogeneous single-phase alloys. We distinguish two types of heterostructural alloys, that is, those between commensurate and incommensurate phases. Because of the structural transition around the critical composition, the properties change in a highly nonlinear or even discontinuous fashion, providing a mechanism for materials design that does not exist in conventional isostructural alloys. The novel phase diagram behavior follows from standard alloy models using mixing enthalpies from first-principles calculations. Thin-film deposition demonstrates the viability of the synthesis of these metastable single-phase domains and validates the computationally predicted phase separation mechanism above the upper temperature bound of the nonequilibrium single-phase region.

Novel phase diagram behavior and materials design in heterostructural semiconductor alloys

DOE PAGES

Holder, Aaron M.; Siol, Sebastian; Ndione, Paul F.; ...

2017-06-07

Structure and composition control the behavior of materials. Isostructural alloying is historically an extremely successful approach for tuning materials properties, but it is often limited by binodal and spinodal decomposition, which correspond to the thermodynamic solubility limit and the stability against composition fluctuations, respectively. We show that heterostructural alloys can exhibit a markedly increased range of metastable alloy compositions between the binodal and spinodal lines, thereby opening up a vast phase space for novel homogeneous single-phase alloys. We distinguish two types of heterostructural alloys, that is, those between commensurate and incommensurate phases. Because of the structural transition around the criticalmore » composition, the properties change in a highly nonlinear or even discontinuous fashion, providing a mechanism for materials design that does not exist in conventional isostructural alloys. The novel phase diagram behavior follows from standard alloy models using mixing enthalpies from first-principles calculations. Furthermore, thin-film deposition demonstrates the viability of the synthesis of these metastable single-phase domains and validates the computationally predicted phase separation mechanism above the upper temperature bound of the nonequilibrium single-phase region.« less

Concepts for the development of nanoscale stable precipitation-strengthened steels manufactured by conventional methods

DOE PAGES

Yablinsky, C. A.; Tippey, K. E.; Vaynman, S.; ...

2014-11-11

In this study, the development of oxide dispersion strengthened ferrous alloys has shown that microstructures designed for excellent irradiation resistance and thermal stability ideally contain stable nanoscale precipitates and dislocation sinks. Based upon this understanding, the microstructures of conventionally manufactured ferritic and ferritic-martensitic steels can be designed to include controlled volume fractions of fine, stable precipitates and dislocation sinks via specific alloying and processing paths. The concepts proposed here are categorized as advanced high-Cr ferritic-martensitic (AHCr-FM) and novel tailored precipitate ferritic (TPF) steels, which have the potential to improve the in-reactor performance of conventionally manufactured alloys. AHCr-FM steels have modifiedmore » alloy content relative to current reactor materials (such as alloy NF616/P92) to maximize desirable precipitates and control phase stability. TPF steels are designed to incorporate nickel aluminides, in addition to microalloy carbides, in a ferritic matrix to produce fine precipitate arrays with good thermal stability. Both alloying concepts may also benefit from thermomechanical processing to establish dislocation sinks and modify phase transformation behaviors. Alloying and processing paths toward designed microstructures are discussed for both AHCr-FM and TPF material classes.« less

Effect of Alloying Elements on Nb-Rich Portion of Nb-Si-X Ternary Systems and In Situ Crack Observation of Nb-Si-Based Alloys

NASA Astrophysics Data System (ADS)

Miura, Seiji; Hatabata, Toru; Okawa, Takuya; Mohri, Tetsuo

2014-03-01

To find a new route for microstructure control and to find additive elements beneficial for improving high-temperature strength, a systematic investigation is performed on hypoeutectic Nb-15 at. pct Si-X ternary alloys containing a transition element, Fe, Co, Ni, Cu, Ru, Rh, Pd, Re, Os, Ir, Pt, or Au. Information on phase equilibrium is classified in terms of phase stability of silicide phases, α Nb5Si3, Nb4SiX, and Nb3Si, and the relationship between microstructure and mechanical properties both at room temperature and high temperature is investigated. All the additive elements are found to stabilize either α Nb5Si3 or Nb4SiX but destabilize Nb3Si. A microstructure of Nbss/α Nb5Si3 alloy composed of spheroidized α Nb5Si3 phase embedded in the Nbss matrix is effective for toughening, regardless of the initial as-cast microstructure. Also the plastic deformation of Nbss dendrites may effectively suppress the propagation of longer cracks. High-temperature strength of alloys is governed by the deformation of Nbss phase and increases with higher melting point additives.

Enhanced ferroelectric polarization and possible morphotrophic phase boundary in PZT-based alloys

DOE PAGES

Parker, David S.; Singh, David; McGuire, Michael A.; ...

2016-05-16

We present a combined theoretical and experimental study of alloys of the high performance piezoelectric PZT (PbZr 0.5Ti 0.5O 3) with BZnT (BiZn 0.5Ti 0.5O 3) and BZnZr (BiZn 0.5Zr 0.5O 3), focusing on atomic displacements, ferroelectric polarization, and elastic stability. From theory we find that the 75-25 PZT-BZnT alloy has substantially larger cation displacements, and hence ferroelectric polarization than the PZT base material, on the tetragonal side of the phase diagram. We also find a possible morphotrophic phase boundary in this system by comparing displacement patterns and optimized c/a ratios. Elastic stability calculations find the structures to be essentiallymore » stable. Lastly, experiments indicate the feasibility of sample synthesis within this alloy system, although measurements do not find significant polarization, probably due to a large coercive field.« less

Precipitation behavior of AlxCoCrFeNi high entropy alloys under ion irradiation

NASA Astrophysics Data System (ADS)

Yang, Tengfei; Xia, Songqin; Liu, Shi; Wang, Chenxu; Liu, Shaoshuai; Fang, Yuan; Zhang, Yong; Xue, Jianming; Yan, Sha; Wang, Yugang

2016-08-01

Materials performance is central to the satisfactory operation of current and future nuclear energy systems due to the severe irradiation environment in reactors. Searching for structural materials with excellent irradiation tolerance is crucial for developing the next generation nuclear reactors. Here, we report the irradiation responses of a novel multi-component alloy system, high entropy alloy (HEA) AlxCoCrFeNi (x = 0.1, 0.75 and 1.5), focusing on their precipitation behavior. It is found that the single phase system, Al0.1CoCrFeNi, exhibits a great phase stability against ion irradiation. No precipitate is observed even at the highest fluence. In contrast, numerous coherent precipitates are present in both multi-phase HEAs. Based on the irradiation-induced/enhanced precipitation theory, the excellent structural stability against precipitation of Al0.1CoCrFeNi is attributed to the high configurational entropy and low atomic diffusion, which reduces the thermodynamic driving force and kinetically restrains the formation of precipitate, respectively. For the multiphase HEAs, the phase separations and formation of ordered phases reduce the system configurational entropy, resulting in the similar precipitation behavior with corresponding binary or ternary conventional alloys. This study demonstrates the structural stability of single-phase HEAs under irradiation and provides important implications for searching for HEAs with higher irradiation tolerance.

Microstructure, microstructural stability and mechanical properties of sand-cast Mg–4Al–4RE alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rzychoń, Tomasz, E-mail: tomasz.rzychon@polsl.pl; Kiełbus, Andrzej; Lityńska-Dobrzyńska, Lidia

2013-09-15

This paper presents a methodology for assessing the phase composition and the results of structural stability tests of the sand-cast Mg–4Al–4RE alloy after annealing it at 175 and 250 °C for 3000 h. The microstructure was analyzed with optical, scanning electron, and transmission electron microscopy. The phase composition was determined with X-ray diffraction. The structure of the Mg–4Al–4RE (AE44) alloy is composed of large grains of α-Mg solid solution, needle-shaped precipitates of the Al{sub 11}RE{sub 3}phase, polyhedral precipitates of the Al{sub 2}RE phase and Al{sub 10}RE{sub 2}Mn{sub 7} phase. After annealing at 175 °C for 3000 h, no changes inmore » the alloy structure are observed, whereas after annealing at 250 °C the precipitates of the Al{sub 11}RE{sub 3} phase are found to be in the initial stages of spheroidization. The coarse-grained structure and unfavorable morphology of the intermetallic phases in the sand-cast AE44 alloy, which are caused by low solidification rates, result in low creep resistance up to 200 °C and low mechanical properties at ambient temperature and at 175 °C. - Highlights: • Complement the knowledge about the microstructure of Mg-Al-RE alloys. • Clarify the mechanism of formation of Mg17Al12 phase above 180 °C. • Applying a chemical dissolution of the α-Mg in order to phase identification. • Applying a statistical test to assess the spheroidization of precipitates. • Quantitative description of microstructure of Mg-Al-RE alloys.« less

An ab initio study on the structural, electronic and mechanical properties of quaternary full-Heusler alloys FeMnCrSn and FeMnCrSb

NASA Astrophysics Data System (ADS)

Erkişi, Aytaç

2018-06-01

The quaternary full Heusler alloys FeMnCrSn and FeMnCrSb, which have face-centred cubic (FCC) crystal structure and conform to ? space group with 216 space number, have been investigated using Generalised Gradient Approximation (GGA) in the Density Functional Theory (DFT) as implemented in VASP (Vienna Ab initio Simulation Package) software. These alloys are considered in ferromagnetic (FM) order. After the investigation of structural stability of these alloys, their mechanical and thermal properties and also electronic band structures have been examined. The calculated spin-polarised electronic band structures and total electronic density of states (DOS) within GGA approximation show that these alloys can exhibit both metallic and half-metallic characters in different structural phases. The calculated formation enthalpies and the plotted energy-volume graphs show that Type-III phase is most stable structural phase for these materials. Also, FeMnCrSb alloy in Type-I/Type-III phases and FeMnCrSn alloy in Type-III phase show half-metallic behaviour with integer total magnetic moments almost 2 and 1 μB per formula unit, respectively, since there are band gaps observed in spin-down states, whereas they have metallic behaviour in majority bands. Other structural phases of both systems are also metallic. Moreover, the calculated elastic constants and the estimated anisotropy shear factors indicate that these materials are stable mechanically in all of three phases except FeMnCrSn in Type-I phase that does not satisfy Born stability criteria in this phase and have high anisotropic behaviour.

Development and Characterization of Improved NiTiPd High-Temperature Shape-Memory Alloys by Solid-Solution Strengthening and Thermomechanical Processing

NASA Technical Reports Server (NTRS)

Bigelow, Glen; Noebe, Ronald; Padula, Santo, II; Garg, Anita; Olson, David

2006-01-01

The need for compact, solid-state actuation systems for use in the aerospace, automotive, and other transportation industries is currently motivating research in high-temperature shape-memory alloys (HTSMA) with transformation temperatures greater than 100 C. One of the basic high-temperature alloys investigated to fill this need is Ni(19.5)Ti(50.5)Pd30. Initial testing has indicated that this alloy, while having acceptable work characteristics, suffers from significant permanent deformation (or ratcheting) during thermal cycling under load. In an effort to overcome this deficiency, various solid-solution alloying and thermomechanical processing schemes were investigated. Solid-solution strengthening was achieved by substituting 5at% gold or platinum for palladium in Ni(19.5)Ti(50.5)Pd30, the so-called baseline alloy, to strengthen the martensite and austenite phases against slip processes and improve thermomechanical behavior. Tensile properties, work behavior, and dimensional stability during repeated thermal cycling under load for the ternary and quaternary alloys were compared. The relative difference in yield strength between the martensite and austenite phases and the dimensional stability of the alloy were improved by the quaternary additions, while work output was only minimally impacted. The three alloys were also thermomechanically processed by cycling repeatedly through the transformation range under a constant stress. This so-called training process dramatically improved the dimensional stability in these samples and also recovered the slight decrease in work output caused by quaternary alloying. An added benefit of the solid-solution strengthening was maintenance of enhanced dimensional stability of the trained material to higher temperatures compared to the baseline alloy, providing a greater measure of over-temperature capability.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qu, Wentao, E-mail: wtqu@xsyu.edu.cn

The phase transformation and microstructures of the deformed Ti-30Zr-5Nb shape memory alloy were investigated. The X-ray diffraction measurements indicated that the Ti-30Zr-5Nb alloy was composed of a single orthorhombic α″-martensite phase. The alloy exhibited one yielding behavior in the tensile test, with a critical stress of ~ 600 MPa and a tensile strain of approximately 15%. A shape memory recovery accompanied by a permanent strain was exhibited in the deformed alloys when heated at 873 K. The permanent strain increased with increasing pre-strain. The microstructure evolution of the deformed alloy was investigated by transmission electron microscopy. The results showed thatmore » the martensite reorientation occurred and the dislocations were generated during deformation. The alloy displayed a reversible martensite transformation start temperature as high as 763 K. However, no strain-induced martensite stabilization was found in the deformed alloy with different pre-strain levels, potentially because the large chemical energy of the Ti-30Zr-5Nb alloy depressed the effects of the elastic energy and the dissipative energy. - Highlights: • Ti-30Zr-5Nb alloy is composed of single orthorhombic α″-martensite phase with M{sub s} of 721 K. • No martensite stabilization has been found in Ti-30Zr-5Nb alloy with different pre-strain. • Ti-30Zr-5Nb shows the maximum shape memory effect of 2.75% with a pre-strain of 8%.« less

Diffusive Phenomena and the Austenite/Martensite Relative Stability in Cu-Based Shape-Memory Alloys

NASA Astrophysics Data System (ADS)

Pelegrina, J. L.; Yawny, A.; Sade, M.

2018-03-01

The main characteristic of martensitic phase transitions is the coordinate movement of the atoms which takes place athermally, without the contribution of diffusion during its occurrence. However, the impacts of diffusive phenomena on the relative stability between the phases involved and, consequently, on the associated transformation temperatures and functional properties can be significant. This is particularly evident in the case of Cu-based shape-memory alloys where atomic diffusion in both austenite and martensite metastable phases might occur even at room-temperature levels, giving rise to a variety of intensively studied phenomena. In the present study, the progresses made in the understanding of three selected diffusion-related effects of importance in Cu-Zn-Al and Cu-Al-Be alloys are reviewed. They are the after-quench retained disorder in the austenitic structure and its subsequent reordering, the stabilization of the martensite, and the effect of applied stress on the austenitic order. It is shown how the experimental results obtained from tests performed on single crystal material can be rationalized under the shed of a model developed to evaluate the variation of the relative stability between the phases in terms of atom pairs interchanges.

Diffusive Phenomena and the Austenite/Martensite Relative Stability in Cu-Based Shape-Memory Alloys

NASA Astrophysics Data System (ADS)

Pelegrina, J. L.; Yawny, A.; Sade, M.

2018-02-01

The main characteristic of martensitic phase transitions is the coordinate movement of the atoms which takes place athermally, without the contribution of diffusion during its occurrence. However, the impacts of diffusive phenomena on the relative stability between the phases involved and, consequently, on the associated transformation temperatures and functional properties can be significant. This is particularly evident in the case of Cu-based shape-memory alloys where atomic diffusion in both austenite and martensite metastable phases might occur even at room-temperature levels, giving rise to a variety of intensively studied phenomena. In the present study, the progresses made in the understanding of three selected diffusion-related effects of importance in Cu-Zn-Al and Cu-Al-Be alloys are reviewed. They are the after-quench retained disorder in the austenitic structure and its subsequent reordering, the stabilization of the martensite, and the effect of applied stress on the austenitic order. It is shown how the experimental results obtained from tests performed on single crystal material can be rationalized under the shed of a model developed to evaluate the variation of the relative stability between the phases in terms of atom pairs interchanges.

Lattice parameters and relative stability of α″ phase in binary titanium alloys from first-principles calculations

NASA Astrophysics Data System (ADS)

Li, Chun-Xia; Luo, Hu-Bin; Hu, Qing-Miao; Yang, Rui; Yin, Fu-Xing; Umezawa, Osamu; Vitos, Levente

2013-04-01

The crystallographic structure and stability of the α″ phase relative to the α and β phases in Ti-x M (M=Ta, Nb, V, Mo) alloys are investigated by using the first-principles exact muffin-tin orbital method in combination with the coherent potential approximation. We show that, with increasing concentration of the alloying elements, the structure of the orthorhombic-α″ phase evolutes from the hcp-α to the bcc-β phase, i.e., the lattice parameters b/a and c/a as well as the basal shuffle y decreases from those corresponding to the α phase to those of the β phase. The compositional α/α″ and α″/β phase boundaries are determined by comparing the total energies of the phases. The predicted α/α″ phase boundaries are about 10.2, 10.5, 11.5, 4.5 at% for Ti-V, Ti-Nb, Ti-Ta, and Ti-Mo, respectively, in reasonable agreement with experiments. The α″/β phase boundaries are higher than the experimental values, possibly due to the absence of temperature effect in the first-principles calculations. Analyzing the electronic density of states, we propose that the stability of the α″ phase is controlled by the compromise between the strength of the covalent and metallic bonds.

Accelerated exploration of multi-principal element alloys with solid solution phases

PubMed Central

Senkov, O.N.; Miller, J.D.; Miracle, D.B.; Woodward, C.

2015-01-01

Recent multi-principal element, high entropy alloy (HEA) development strategies vastly expand the number of candidate alloy systems, but also pose a new challenge—how to rapidly screen thousands of candidate alloy systems for targeted properties. Here we develop a new approach to rapidly assess structural metals by combining calculated phase diagrams with simple rules based on the phases present, their transformation temperatures and useful microstructures. We evaluate over 130,000 alloy systems, identifying promising compositions for more time-intensive experimental studies. We find the surprising result that solid solution alloys become less likely as the number of alloy elements increases. This contradicts the major premise of HEAs—that increased configurational entropy increases the stability of disordered solid solution phases. As the number of elements increases, the configurational entropy rises slowly while the probability of at least one pair of elements favouring formation of intermetallic compounds increases more rapidly, explaining this apparent contradiction. PMID:25739749

Density-functional theory computer simulations of CZTS0.25Se0.75 alloy phase diagrams

NASA Astrophysics Data System (ADS)

Chagarov, E.; Sardashti, K.; Haight, R.; Mitzi, D. B.; Kummel, A. C.

2016-08-01

Density-functional theory simulations of CZTS, CZTSe, and CZTS0.25Se0.75 photovoltaic compounds have been performed to investigate the stability of the CZTS0.25Se0.75 alloy vs. decomposition into CZTS, CZTSe, and other secondary compounds. The Gibbs energy for vibrational contributions was estimated by calculating phonon spectra and thermodynamic properties at finite temperatures. It was demonstrated that the CZTS0.25Se0.75 alloy is stabilized not by enthalpy of formation but primarily by the mixing contributions to the Gibbs energy. The Gibbs energy gains/losses for several decomposition reactions were calculated as a function of temperature with/without intermixing and vibration contributions to the Gibbs energy. A set of phase diagrams was built in the multidimensional space of chemical potentials at 300 K and 900 K temperatures to demonstrate alloy stability and boundary compounds at various chemical conditions. It demonstrated for CZTS0.25Se0.75 that the chemical potentials for stability differ between typical processing temperature (˜900 K) and operating temperature (300 K). This implies that as cooling progresses, the flux/concentration of S should be increased in MBE growth to maintain the CZTS0.25Se0.75 in a thermodynamically stable state to minimize phase decomposition.

PLUTONIUM-THORIUM ALLOYS

DOEpatents

Schonfeld, F.W.

1959-09-15

New plutonium-base binary alloys useful as liquid reactor fuel are described. The alloys consist of 50 to 98 at.% thorium with the remainder plutonium. The stated advantages of these alloys over unalloyed plutonium for reactor fuel use are easy fabrication, phase stability, and the accompanying advantuge of providing a means for converting Th/sup 232/ into U/sup 233/.

Crystallization and growth of Ni-Si alloy thin films on inert and on silicon substrates

NASA Astrophysics Data System (ADS)

Grimberg, I.; Weiss, B. Z.

1995-04-01

The crystallization kinetics and thermal stability of NiSi2±0.2 alloy thin films coevaporated on two different substrates were studied. The substrates were: silicon single crystal [Si(100)] and thermally oxidized silicon single crystal. In situ resistance measurements, transmission electron microscopy, x-ray diffraction, Auger electron spectroscopy, and Rutherford backscattering spectroscopy were used. The postdeposition microstructure consisted of a mixture of amorphous and crystalline phases. The amorphous phase, independent of the composition, crystallizes homogeneously to NiSi2 at temperatures lower than 200 °C. The activation energy, determined in the range of 1.4-2.54 eV, depends on the type of the substrate and on the composition of the alloyed films. The activation energy for the alloys deposited on the inert substrate was found to be lower than for the alloys deposited on silicon single crystal. The lowest activation energy was obtained for nonstoichiometric NiSi2.2, the highest for NiSi2—on both substrates. The crystallization mode depends on the structure of the as-deposited films, especially the density of the existing crystalline nuclei. Substantial differences were observed in the thermal stability of the NiSi2 compound on both substrates. With the alloy films deposited on the Si substrate, only the NiSi2 phase was identified after annealing to temperatures up to 800 °C. In the films deposited on the inert substrate, NiSi and NiSi2 phases were identified when the Ni content in the alloy exceeded 33 at. %. The effects of composition and the type of substrate on the crystallization kinetics and thermal stability are discussed.

Dynamical stability of plutonium alloys

NASA Astrophysics Data System (ADS)

Torrent, Marc; Dorado, Boris; Bieder, Jordan

Plutonium sits at the center of the actinide series and marks the transition between localization and delocalization of the 5 f electrons. From a metallurgical standpoint, the monoclinic α phase (stable at low T) is brittle, not suitable for engineering applications, as opposed to the ductile fcc δ phase (stable at 580K). The δ - α transition can be avoided by alloying δ-Pu with ''deltagen'' elements. There is a wide unexplored area for Pu when it comes to lattice dynamics. Due to the changes in the composition, the dynamical stability of is constantly challenged. Displ. cascades are created in the material, which in turn produce numerous of point defects. Therefore, the accumulation of defects preclude a thermodynamic equilibrium. Given the importance for engineering applications, it is crucial that we understand the mechanisms that lead to stabilization with respect to the alloy composition. We use first-principles calculations to provide evidence of the effect of defects/impurities (C, O, Al, Fe, Ni, Ga, Ce, U, Am) on the dynamical stability of δ-Pu. We show that this phase is dynamically unstable at low T and that it depends on the 5 f orbital occupancies. We investigate how defects affect the stability by comparing the phonon DoS.

Ductile tungsten-nickel alloy and method for making same

DOEpatents

Snyder, Jr., William B.

1976-01-01

The present invention is directed to a ductile, high-density tungsten-nickel alloy which possesses a tensile strength in the range of 100,000 to 140,000 psi and a tensile elongation of 3.1 to 16.5 percent in 1 inch at 25.degree.C. This alloy is prepared by the steps of liquid phase sintering a mixture of tungsten-0.5 to 10.0 weight percent nickel, heat treating the alloy at a temperature above the ordering temperature of approximately 970.degree.C. to stabilize the matrix phase, and thereafter rapidly quenching the alloy in a suitable liquid to maintain the matrix phase in a metastable, face-centered cubic, solid- solution of tungsten in nickel.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Holder, Aaron M.; Siol, Sebastian; Ndione, Paul F.

Structure and composition control the behavior of materials. Isostructural alloying is historically an extremely successful approach for tuning materials properties, but it is often limited by binodal and spinodal decomposition, which correspond to the thermodynamic solubility limit and the stability against composition fluctuations, respectively. We show that heterostructural alloys can exhibit a markedly increased range of metastable alloy compositions between the binodal and spinodal lines, thereby opening up a vast phase space for novel homogeneous single-phase alloys. We distinguish two types of heterostructural alloys, that is, those between commensurate and incommensurate phases. Because of the structural transition around the criticalmore » composition, the properties change in a highly nonlinear or even discontinuous fashion, providing a mechanism for materials design that does not exist in conventional isostructural alloys. The novel phase diagram behavior follows from standard alloy models using mixing enthalpies from first-principles calculations. Furthermore, thin-film deposition demonstrates the viability of the synthesis of these metastable single-phase domains and validates the computationally predicted phase separation mechanism above the upper temperature bound of the nonequilibrium single-phase region.« less

Impurities block the alpha to omega martensitic transformation in titanium.

PubMed

Hennig, Richard G; Trinkle, Dallas R; Bouchet, Johann; Srinivasan, Srivilliputhur G; Albers, Robert C; Wilkins, John W

2005-02-01

Impurities control phase stability and phase transformations in natural and man-made materials, from shape-memory alloys to steel to planetary cores. Experiments and empirical databases are still central to tuning the impurity effects. What is missing is a broad theoretical underpinning. Consider, for example, the titanium martensitic transformations: diffusionless structural transformations proceeding near the speed of sound. Pure titanium transforms from ductile alpha to brittle omega at 9 GPa, creating serious technological problems for beta-stabilized titanium alloys. Impurities in the titanium alloys A-70 and Ti-6Al-4V (wt%) suppress the transformation up to at least 35 GPa, increasing their technological utility as lightweight materials in aerospace applications. These and other empirical discoveries in technological materials call for broad theoretical understanding. Impurities pose two theoretical challenges: the effect on the relative phase stability, and the energy barrier of the transformation. Ab initio methods calculate both changes due to impurities. We show that interstitial oxygen, nitrogen and carbon retard the transformation whereas substitutional aluminium and vanadium influence the transformation by changing the d-electron concentration. The resulting microscopic picture explains the suppression of the transformation in commercial A-70 and Ti-6Al-4V alloys. In general, the effect of impurities on relative energies and energy barriers is central to understanding structural phase transformations.

Formation and Stability of Pb-Sn Embedded Multiphase Alloy Nanoparticles via Mechanical Alloying

NASA Astrophysics Data System (ADS)

Khan, Patan Yousaf; Devi, M. Manolata; Biswas, Krishanu

2015-08-01

The present paper describes the preparation, characterization, and stability of Pb-Sn multiphase alloy nanoparticles embedded in Al matrix via mechanical alloying (MA). MA is a solid-state processing route, which can produce nanocrystalline phases by severely deforming the materials at high strain rate. Therefore, in order to understand the effect of the increasing interface as well as defects on the phase transformation behavior of Pb-Sn nanoparticles, Pb-Sn multiphase nanoparticles have been embedded in Al by MA. The nanoparticles have extensively been characterized using X-ray diffraction and transmission electron microscope. The characterization reveals the formation of biphasic as well as single-phase solid solution nanoparticles embedded in the matrix. The detailed microstructural and differential scanning calorimetry studies indicate that the formation of biphasic nanoparticles is due to size effect, mechanical attrition, and ballistic diffusion of Pb and Sn nanoparticles embedded in Al grains. Thermal characterization data reveal that the heating event consists of the melting peaks due to the multiphase nanoparticles and the peak positions shift to lower temperature with the increase in milling time. The role of interface structure is believed to play a prominent role in determining the phase stability of the nanoparticle. The results are discussed in the light of the existing literature.

Thermal Stability of Nanocrystalline Alloys by Solute Additions and A Thermodynamic Modeling

NASA Astrophysics Data System (ADS)

Saber, Mostafa

Nanocrystalline alloys show superior properties due to their exceptional microstructure. Thermal stability of these materials is a critical aspect. It is well known that grain boundaries in nanocrystalline microstructures cause a significant increase in the total free energy of the system. A driving force provided to reduce this excess free energy can cause grain growth. The presence of a solute addition within a nanocrystalline alloy can lead to the thermal stability. Kinetic and thermodynamic stabilization are the two basic mechanisms with which stability of a nanoscale grain size can be achieved at high temperatures. The basis of this thesis is to study the effect of solute addition on thermal stability of nanocrystalline alloys. The objective is to determine the effect of Zr addition on the thermal stability of mechanically alloyed nanocrysatillne Fe-Cr and Fe-Ni alloys. In Fe-Cr-Zr alloy system, nanoscale grain size stabilization was maintained up to 900 °C by adding 2 at% Zr. Kinetic pinning by intermetallic particles in the nanoscale range was identified as a primary mechanism of thermal stabilization. In addition to the grain size strengthening, intermetallic particles also contribute to strengthening mechanisms. The analysis of microhardness, XRD data, and measured grain sizes from TEM micrographs suggested that both thermodynamic and kinetic mechanisms are possible mechanisms. It was found that alpha → gamma phase transformation in Fe-Cr-Zr system does not influence the grain size stabilization. In the Fe-Ni-Zr alloy system, it was shown that the grain growth in Fe-8Ni-1Zr alloy is much less than that of pure Fe and Fe-8Ni alloy at elevated temperatures. The microstructure of the ternary Fe-8Ni-1Zr alloy remains in the nanoscale range up to 700 °C. Using an in-situ TEM study, it was determined that drastic grain growth occurs when the alpha → gamma phase transformation occurs. Accordingly, there can be a synergistic relationship between grain growth and alpha → gamma phase transformation in Fe-Ni-Zr alloys. In addition to the experimental study of thermal stabilization of nanocrystalline Fe-Cr-Zr or Fe-Ni-Zr alloys, the thesis presented here developed a new predictive model, applicable to strongly segregating solutes, for thermodynamic stabilization of binary alloys. This model can serve as a benchmark for selecting solute and evaluating the possible contribution of stabilization. Following a regular solution model, both the chemical and elastic strain energy contributions are combined to obtain the mixing enthalpy. The total Gibbs free energy of mixing is then minimized with respect to simultaneous variations in the grain boundary volume fraction and the solute concentration in the grain boundary and the grain interior. The Lagrange multiplier method was used to obtained numerical solutions. Application are given for the temperature dependence of the grain size and the grain boundary solute excess for selected binary system where experimental results imply that thermodynamic stabilization could be operative. This thesis also extends the binary model to a new model for thermodynamic stabilization of ternary nanocrystalline alloys. It is applicable to strongly segregating size-misfit solutes and uses input data available in the literature. In a same manner as the binary model, this model is based on a regular solution approach such that the chemical and elastic strain energy contributions are incorporated into the mixing enthalpy DeltaHmix, and the mixing entropy DeltaSmix is obtained using the ideal solution approximation. The Gibbs mixing free energy Delta Gmix is then minimized with respect to simultaneous variations in grain growth and solute segregation parameters. The Lagrange multiplier method is similarly used to obtain numerical solutions for the minimum Delta Gmix. The temperature dependence of the nanocrystalline grain size and interfacial solute excess can be obtained for selected ternary systems. As an example, model predictions are compared to experimental results for Fe-Cr-Zr and Fe-Ni-Zr alloy systems. Consistency between the experimental results and the present model predictions provide a more rigorous criterion for investigating thermal stabilization. However, other possible contributions for grain growth stabilization should still be considered.

Development of high performance ODS alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shao, Lin; Gao, Fei; Garner, Frank

2018-01-29

This project aims to capitalize on insights developed from recent high-dose self-ion irradiation experiments in order to develop and test the next generation of optimized ODS alloys needed to meet the nuclear community's need for high strength, radiation-tolerant cladding and core components, especially with enhanced resistance to void swelling. Two of these insights are that ferrite grains swell earlier than tempered martensite grains, and oxide dispersions currently produced only in ferrite grains require a high level of uniformity and stability to be successful. An additional insight is that ODS particle stability is dependent on as-yet unidentified compositional combinations of dispersoidmore » and alloy matrix, such as dispersoids are stable in MA957 to doses greater than 200 dpa but dissolve in MA956 at doses less than 200 dpa. These findings focus attention on candidate next-generation alloys which address these concerns. Collaboration with two Japanese groups provides this project with two sets of first-round candidate alloys that have already undergone extensive development and testing for unirradiated properties, but have not yet been evaluated for their irradiation performance. The first set of candidate alloys are dual phase (ferrite + martensite) ODS alloys with oxide particles uniformly distributed in both ferrite and martensite phases. The second set of candidate alloys are ODS alloys containing non-standard dispersoid compositions with controllable oxide particle sizes, phases and interfaces.« less

Phase Transformation Temperatures and Solute Redistribution in a Quaternary Zirconium Alloy

NASA Astrophysics Data System (ADS)

Cochrane, C.; Daymond, M. R.

2018-05-01

This study investigates the phase stability and redistribution of solute during heating and cooling of a quaternary zirconium alloy, Excel (Zr-3.2Sn-0.8Mo-0.8Nb). Time-of-flight neutron diffraction data are analyzed using a novel Vegard's law-based approach to determine the phase fractions and location of substitutional solute atoms in situ during heating from room temperature up to 1050 °C. It is seen that this alloy exhibits direct nucleation of the β Zr phase from martensite during tempering, and stable retention of the β Zr phase to high temperatures, unlike other two-phase zirconium alloys. The transformation strains resulting from the α \\leftrightarrow β transformation are shown to have a direct impact on the development of microstructure and crystallographic texture.

Microstructural analyses of two high noble gold-platinum alloys before and after conditioning in a cell culture medium

NASA Astrophysics Data System (ADS)

Rudolf, R.; Anzel, I.; Gusel, L.; Stamenkovi, D.; Todorovi, A.; Colic, M.

2010-12-01

Microstructures of two high noble experimental Au-Pt alloys were compared before and after conditioning for biocompatibility, in order to identify phases and microelements responsible for the alloys' corrosive behaviour. Microstructural characterization was carried-out by optical and scanning electron microscopy, in addition to energy dispersive X-ray analysis. X-ray diffraction was applied to determine the phases' composition and their contribution in the alloys. Additionally, simultaneous thermal analysis was used to identify the temperatures of phase transformations. An overall assessment before conditioning showed that Au-Pt I is a two-phase alloy containing a dominant Au-rich α1 phase and a minor Pt-rich α2 phase, while the Au-Pt II alloy contains in addition three minor phases: AuZn3, Pt3Zn and Au1.4Zn0.52. The highest content of Zn (up to 6.76 wt.%) was detected in the Pt3Zn phase. After RPMI cell culture medium conditioning, the Pt3Zn and AuZn3 phases disappeared, suggesting that they are predominantly responsible for Zn loss and the lower corrosive stability of the Au-Pt II alloy.

Compositional instability of {beta}-phase in Ni-Mn-Ga alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chernenko, V.A.

1999-02-05

The ferromagnetic Heusler alloys of stoichiometric Ni{sub 2}MnGa and nonstoichiometric Ni-Mn-Ga chemical compositions though not containing a noble-metal, indeed, belong to {beta}-alloys which lattice stability is decided by the Hume-Rothery mechanism: electron concentration e/a measuring the decrease of the electron energy due to the pseudogap formation and size factor. The intriguing feature of Ni-Mn-Ga alloys similarly to Ti-Ni, Cu-Al-Be and Ni-Al alloys arises that transformation temperature, M{sub s}, is dramatically dependent on concentration reflecting an extremely high sensitivity of the lattice stability toward the content variation. The main purpose of present paper is an analysis of previous data concerning themore » compositional dependence of M{sub s} from the viewpoint of searching for empirical correlation between the electron concentration and stability of {beta}-phase in Ni-Mn-Ga system. This analysis will provide a confirmation of the feasibility of a reasonable explanation of seemingly random collection of alloys grouped with respect to their M{sub s} values as well as other features. The alloys of compositional range studied previously are added here to a few alloys including ones doped with V and Ge to ensure the decisive role of e/a ratio on M{sub s}. Original results about the temperature dependent resistance behavior are presented as well.« less

Matrix Transformation in Boron Containing High-Temperature Co-Re-Cr Alloys

NASA Astrophysics Data System (ADS)

Strunz, Pavel; Mukherji, Debashis; Beran, Přemysl; Gilles, Ralph; Karge, Lukas; Hofmann, Michael; Hoelzel, Markus; Rösler, Joachim; Farkas, Gergely

2018-03-01

An addition of boron largely increases the ductility in polycrystalline high-temperature Co-Re alloys. Therefore, the effect of boron on the alloy structural characteristics is of high importance for the stability of the matrix at operational temperatures. Volume fractions of ɛ (hexagonal close-packed—hcp), γ (face-centered cubic—fcc) and σ (Cr2Re3 type) phases were measured at ambient and high temperatures (up to 1500 °C) for a boron-containing Co-17Re-23Cr alloy using neutron diffraction. The matrix phase undergoes an allotropic transformation from ɛ to γ structure at high temperatures, similar to pure cobalt and to the previously investigated, more complex Co-17Re-23Cr-1.2Ta-2.6C alloy. It was determined in this study that the transformation temperature depends on the boron content (0-1000 wt. ppm). Nevertheless, the transformation temperature did not change monotonically with the increase in the boron content but reached a minimum at approximately 200 ppm of boron. A probable reason is the interplay between the amount of boron in the matrix and the amount of σ phase, which binds hcp-stabilizing elements (Cr and Re). Moreover, borides were identified in alloys with high boron content.

Thermal Stability of Microstructure and Microhardness of Heterophase BCC-Alloys After Torsional Deformation on Bridgman Anvils

NASA Astrophysics Data System (ADS)

Ditenberg, I. A.; Tyumentsev, A. N.

2018-03-01

The results of investigations of thermal stability of microstructure and microhardness of alloys of the V-4Ti-4Cr and Mo-47Re systems, subjected to torsional deformation by high quasi-hydrostatic pressure at room temperature, are reported. It is shown that submicrocrystalline and nanocrystalline states, and the respective high values of microhardness, persist up to the upper bound ( 0.4 Tmelt) of the temperature interval of their recovery and polygonization in a single-phase state. The main factors ensuring thermal stability of highlydefective states in heterophase alloys are discussed.

Prediction of novel alloy phases of Al with Sc or Ta

PubMed Central

Bilić, Ante; Gale, Julian D.; Gibson, Mark A.; Wilson, Nick; McGregor, Kathie

2015-01-01

Using the evolutionary optimization algorithm, as implemented in the USPEX crystal predictor program, and first principles total energy calculations, the compositional phase diagrams for Al-Sc and Al-Ta alloy systems at zero temperature and pressure have been calculated. In addition to the known binary intermetallic phases, new potentially stable alloys, AlSc3 and AlTa7, have been identified in the Al-poor region of the phase diagram. The dynamic and thermal stability of their lattices has been confirmed from the calculated vibrational normal mode spectra in the harmonic approximation. PMID:25950915

Structural, microstructural and thermal analysis of U-(6-x)Zr-xNb alloys (x = 0, 2, 4, 6)

NASA Astrophysics Data System (ADS)

Kaity, Santu; Banerjee, Joydipta; Parida, S. C.; Bhasin, Vivek

2018-06-01

Uranium-rich U-Zr-Nb alloy is considered as a good alternative fuel for fast reactors from the perspective of excellent dimensional stability and desired thermo-physical properties to achieve higher burnup. Detailed investigations related to the structural and microstructural characterization, thermal expansion, phase transformation, microhardness were carried out on U-6Zr, U-4Zr-2Nb, U-2Zr-4Nb and U-6Nb alloys (composition in wt%) where the total amount of alloying elements was restricted to 6 wt%. Structural, microstructural and thermal analysis studies revealed that these alloys undergo a series of transformations from high temperature bcc γ-phase to a variety of equilibrium and intermediate phases depending upon alloy composition, cooling rate and quenching. The structural analysis was carried out by Rietveld refinement. The data of U-Nb and U-Zr-Nb alloys have been highlighted and compared with binary U-Zr alloy.

Applied Crystallography - Proceedings of the XVth Conference

NASA Astrophysics Data System (ADS)

Morawiec, H.; Ströż, D.

1993-06-01

The Table of Contents for the full book PDF is as follows: * Foreword * The International Centre for Diffraction Data and Its Future Developments * The Rietveld Method - A Historical Perspective * Real Structure in Quantitative Powder Diffraction Phase Analysis * Neutron Focusing Optics in Applied Crystallography * The Crystal Structures of Oxygen Deficient Rare Earth Oxides * Short-Range Order in Layer-Structured Ba1-xSrxBi2Nb2O9 Ferroelectrics * Radial Distribution Function as a Tool of Structural Studies on Noncrystalline Materials * Determination of Radial Distribution Function (RDF) of Electrodeposited Cu-Cd Alloys After Annealing * Spheres Packing as a Factor Describing the Local Environment and Structure Stability * X-Ray Stress Measurement of Samples Combined with Diffraction Line Analysis * Phase Stability and Martensitic Transformation in Cu-Zn and Cu-Zn-Al Single Crystals * Order, Defects, Precipitates and the Martensitic Transformation in β Cu-Zn-Al * Effect of γ Precipitates on the Martensitic Transformation in Cu-Zn-Al Alloys * Phase Transitions and Shape Memory Effect in a Thermomechanically Treated NiTi Alloy * Structure of Martensite and Bainite in CuAlMn Alloys * Glass-Ceramics * Mechanism of Texture Formation at the Rolling of Low Stacking Fault Energy Metals and Alloys * Shear Texture of Zinc and the Conditions of Its Occuring * The Development of Texture of ZnAlMg Sheets Depending on Deformation Geometry * Texture Stability of the D.S. NiAlMoCrTi Alloy After Heat Treatment * X-Ray Diffraction Method for Controlling of Texture Evolution in Layers * Texture and Lattice Imperfections Study of Some Low Alloyed Copper Alloys * Selected Examples of the Calculation of the Orientation Distribution Function for Low Crystal and Sample Symmetries * Automatical X-Ray Quantitative Phase Analysis * Application of a PC Computer for Crystallographic Calculations * Electron Diffraction Analysis using a Personal Computer * CA.R.INE Crystallography Version 2.1-1992 * PC-MINREF: The Computer Program Package for Neutron Refinement of Incommensurate Multiphase Crystal and Magnetic Structures on IBM PC Computers * Possibilities of Deflections from Stoichiometry Investigation for Phases of b1-b37 Structure by X-Ray Method * A Computer Program: “Measurement of Elastic Constants of Phases in Nontextured Polycrystalline Materials by X-Ray Method” * Crystallite Sizes and Lattice Strains of Hydrogenatid Tungsten Carbid Powder * The Bragg-Case Images of Dislocations at Different Absorption * Extended X-Ray Bremsstrahlung Isochromat of Molybdenum * Size Distribution Determination of Heterogeneity Regions in Electrodeposited Metals by Saxs Method * The Possibility of the Application of the CH2I2 - Paraffin Oil Mixture as a Masking Liquid for Metal/Carrier Systems in Saxs Investigations * Investigation on Mechanical Alloying and Amorphisation Processes by the Rietveld Method * Growth of β' Phase Single Crystals of Sn-Sb Alloy * Effect of Oxygen Agglomeration on Structure of Annealed Cz-Si Single Crystal * X-Ray Investigation of Non-Uniform Stress Fields * Problem of Polytype Structures Series for Martensitic Phases of Metals and Alloys * Structure of Strain-Induced Martensite in β-CuZnAl Alloy * The Effect of Heat Treatment on the Phase Transitions in NiTiCo Shape Memory Alloy * 9R → 18R Phase Transformation in Cu-13Zn-8Al Alloy * Effect of Austenite Thermal Instability on Characteristics of Martensitic Transformation in Fe-Ni Alloys * Vacuum Annealing Study of Thin Ti Layers on High Carbon Steel Substrates * Vacuum Annealing Study of Thin Ta Layers on High Carbon Steel Substrates * Investigation of Speed of Ionic Sputtering of NiTi Alloys in Sea 02 Auger Spectrometer * Effect of Precipitation Hardening on Thermal Stability of Austenite in Fe-Ni Alloys * Structure of 18Cr-25Ni-Nb L Steel After Two Years Operation in Catalytic Tubes * Influence of Magnetic Field on Mechanical Barkhausen Effect Stress Dependence in Steel * Precipitation Structure in High Strength Aluminium Alloys * Morphology of Laser Treated Al-Zn and Al-Fe Alloys * Structure of Rapidly Solidified AlFe and AlFeNi Ribbons After Continuous Heating * X-Ray Diffractometric Investigations of Anatase—Rutile Titanium Dioxide Forms Transformation in the Presence of Some Additives * Investigations on Phase Transformation of Coprecipitated Iron-Magnesium Hydroxides * Determination of the Crystallinity of Polymer Blends by X-Ray Diffraction Method * XPD Study of the Selected Magnesium Compounds with the Expected Pharmacological Activity * Supermolecular Structure of the Nylon 6.10 Crystallized from the Melt and Its Changes During Heating * The Analysis of Substructural Parameters of PZT-Type Ferroelectric Ceramics

Influence of zirconium additions on nitinol shape memory phase stability, transformation temperatures, and thermo-mechanical properties

NASA Astrophysics Data System (ADS)

Kornegay, Suzanne M.

This research focuses on exploring the influence of Zr additions in Ni-rich Nitinol alloys on the phase stability, transformation temperatures, and thermo-mechanical behavior using various microanalysis techniques. The dissertation is divided into three major bodies of work: (1) The microstructural and thermo-mechanical characterization of a 50.3Ni-32.2Ti-17.5Zr (at.%) Zr alloy; (2) The characterization and mechanical behavior of 50.3Ni-48.7Ti-1Zr and 50.3Ni-48.7Ti-1Hf alloys to determine how dilute additions alter the phases, transformation temperatures, and thermo-mechanical properties; and (3) The microstructural evolution and transformation behavior comparison of microstructure and transformation temperature for 50.3Ni-(49.7-X)Ti-XZr alloys, where X is 1,7, or 17.5% Zr aged at either 400°C and 550°C. The major findings of this work include the following: (1) In the dilute limit of 1% Zr, at 400°C aging, a spherical precipitate, denoted as the S-phase, was observed. This is the first report of this phase. Further aging resulted in the secondary precipitation event of the H-phase. Increasing the aging temperature to 550°C, resulted in no evident precipitation of the S- and H-phase precipitates suggestive this temperature is above the solvus boundary for these compositions. (2) For the 7% and 17.5% Zr alloys, aging at 400°C and 550°C resulted in the precipitation of the H-phase. For the lower temperature anneal, this phase required annealing up to 300 hours of aging to be observed for the 17.5% Zr alloy. Upon increasing the aging temperature, the H-phase precipitation was present in both alloys. The transformation behavior and thermo-mechanical properties are linked to the precipitation behavior.

Precipitation in Al-Cu-Li alloys: from the kinetics of T1 phase precipitation to microstructure development in friction stir welds

NASA Astrophysics Data System (ADS)

Deschamps, A.; de Geuser, F.; Decreus, B.; Malard, B.

Al-Cu-Li based alloys are experiencing a rapid development for aerospace applications. The main hardening phase of this system (T1-Al2CuLi) forms as thin platelets (1 nm) that can reach diameters of 50 to 100 nm with remarkable stability in temperature. The nucleation, growth and thickening mechanisms of this phase are of crucial importance for the understanding of the microstructures resulting from simple to complex thermo-mechanical treatments, including friction stir welding of such alloys.

A New Thermodynamic Parameter to Predict Formation of Solid Solution or Intermetallic Phases in High Entropy Alloys (Postprint)

DTIC Science & Technology

2015-11-02

George , Relative effects of enthalpy and entropy on the phase stability of equiatomic high-entropy alloys, Acta Mater. 61 (2013) 2628e2638. [4] B... Cantor , I.T.H. Chang, P. Knight, A.J.B. Vincent, Microstructural development in equiatomic multicomponent alloys, Mater. Sci. Eng. A 375e377 (2004...an Al0.5CoCrCuFeNi high entropy alloy, In- termetallics 31 (2012) 165e172. [24] Z. Wu, H. Bei, F. Otto, G.M. Pharr, E.P. George , Recovery

Mashing up metals with carbothermal shock

NASA Astrophysics Data System (ADS)

Skrabalak, Sara E.

2018-03-01

Different materials and the capabilities they enabled have marked the ages of civilization. For example, the malleable copper alloys of the Bronze Age provided harder and more durable tools. Most exploration of new alloys has focused on random alloys, in which the alloying metal sites have no metal preference. In binary and ternary metal systems, dissimilar elements do not mix readily at high concentrations, which has limited alloying studies to intermetallics (ordered multimetallic phases) and random alloys, in which minor components are added to a principal element. In 2004, crystalline metal alloys consisting of five or more principal elements in equal or nearly equal amounts (1, 2) were reported that were stabilized by their high configurational entropy. Unlike most random alloys, the “high-entropy” alloys (3, 4) reside in the centers of their multidimensional phase diagrams (see the figure, right). On page 1489 of this issue, Yao et al. (5) present an innovative and general route to high-entropy alloys that can mix up to eight elements into single-phase, size-controlled nanoparticles (NPs).

Microstructure and Phase Stability of Single Crystal NiAl Alloyed with Hf and Zr

NASA Technical Reports Server (NTRS)

Locci, I. E.; Dickerson, R. M.; Garg, A.; Noebe, R. D.; Whittenberger, J. D.; Nathal, M. V.; Darolia, R.

1996-01-01

Six near stoichiometric, NiAl single-crystal alloys, with 0.05-1.5 at.% of Hf and Zr additions plus Si impurities, were microstructurally analyzed in the as-cast, homogenized, and aged conditions. Hafnium-rich interdendritic regions, containing the Heusler phase (Ni2AlHf), were found in all the as-cast alloys containing Hf. Homogenization heat treatments partially reduced these interdendritic segregated regions. Transmission electron microscopy (TEM) observations of the as-cast and homogenized microstructures revealed the presence of a high density of fine Hf (or Zr) and Si-rich precipitates. These were identified as G-phase, Nil6X6Si7, or as an orthorhombic NiXSi phase, where X is Hf or Zr. Under these conditions the expected Heusler phase (beta') was almost completely absent. The Si responsible for the formation of the G and NiHfSi phases is the result of molten metal reacting with the Si-containing crucible used during the casting process. Varying the cooling rates after homogenization resulted in the refinement or complete suppression of the G and NiHfSi phases. In some of the alloys studied, long-term aging heat treatments resulted in the formation of Heusler precipitates, which were more stable at the aging temperature and coarsened at the expense of the G-phase. In other alloys, long-term aging resulted in the formation of the NiXSi phase. The stability of the Heusler or NiXSi phases can be traced to the reactive element (Hf or Zr) to silicon ratio. If the ratio is high, then the Heusler phase appears stable after long time aging. If the ratio is low, then the NiHfSi phase appears to be the stable phase.

Density-functional theory computer simulations of CZTS{sub 0.25}Se{sub 0.75} alloy phase diagrams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chagarov, E.; Sardashti, K.; Kummel, A. C.

2016-08-14

Density-functional theory simulations of CZTS, CZTSe, and CZTS{sub 0.25}Se{sub 0.75} photovoltaic compounds have been performed to investigate the stability of the CZTS{sub 0.25}Se{sub 0.75} alloy vs. decomposition into CZTS, CZTSe, and other secondary compounds. The Gibbs energy for vibrational contributions was estimated by calculating phonon spectra and thermodynamic properties at finite temperatures. It was demonstrated that the CZTS{sub 0.25}Se{sub 0.75} alloy is stabilized not by enthalpy of formation but primarily by the mixing contributions to the Gibbs energy. The Gibbs energy gains/losses for several decomposition reactions were calculated as a function of temperature with/without intermixing and vibration contributions to themore » Gibbs energy. A set of phase diagrams was built in the multidimensional space of chemical potentials at 300 K and 900 K temperatures to demonstrate alloy stability and boundary compounds at various chemical conditions. It demonstrated for CZTS{sub 0.25}Se{sub 0.75} that the chemical potentials for stability differ between typical processing temperature (∼900 K) and operating temperature (300 K). This implies that as cooling progresses, the flux/concentration of S should be increased in MBE growth to maintain the CZTS{sub 0.25}Se{sub 0.75} in a thermodynamically stable state to minimize phase decomposition.« less

Atomic scale modelling of hexagonal structured metallic fission product alloys

PubMed Central

Middleburgh, S. C.; King, D. M.; Lumpkin, G. R.

2015-01-01

Noble metal particles in the Mo-Pd-Rh-Ru-Tc system have been simulated on the atomic scale using density functional theory techniques for the first time. The composition and behaviour of the epsilon phases are consistent with high-entropy alloys (or multi-principal component alloys)—making the epsilon phase the only hexagonally close packed high-entropy alloy currently described. Configurational entropy effects were considered to predict the stability of the alloys with increasing temperatures. The variation of Mo content was modelled to understand the change in alloy structure and behaviour with fuel burnup (Mo molar content decreases in these alloys as burnup increases). The predicted structures compare extremely well with experimentally ascertained values. Vacancy formation energies and the behaviour of extrinsic defects (including iodine and xenon) in the epsilon phase were also investigated to further understand the impact that the metallic precipitates have on fuel performance. PMID:26064629

Effect of Thermal Treatments on Ni-Mn-Ga and Ni-Rich Ni-Ti-Hf/Zr High-Temperature Shape Memory Alloys

NASA Astrophysics Data System (ADS)

Santamarta, Ruben; Evirgen, Alper; Perez-Sierra, Aquilina M.; Pons, Jaume; Cesari, Eduard; Karaman, Ibrahim; Noebe, Ron D.

2015-11-01

Among all the promising high-temperature shape memory alloys (HTSMAs), the Ni-Mn-Ga and the Ni-Ti-Hf/Zr systems exhibit interesting shape memory and superelastic properties that may place them in a good position for potential applications. The present work shows that thermal treatments play a crucial role in controlling the martensitic phase transformation characteristics of both systems, but in different ways. On one hand, the equilibrium phase diagram of the Ni-Mn-Ga family allows selecting compositions with high transformation temperatures and outstanding thermal stability at relatively high temperatures in air, showing no significant changes in the transformation behavior for continuous aging up to ˜5 years at 500 °C. Moreover, the excellent thermal stability correlates with a good thermal cyclic stability and an exceptional oxidation resistance of the parent phase. On the other hand, precipitation processes controlled by thermal treatments are needed to manipulate the transformation temperatures, mechanical properties, and thermal stability of Ni-rich Ni-Ti-Hf/Zr alloys to become HTSMAs. These changes in the functional properties are a consequence of the competition between the mechanical and compositional effects of the precipitates on the martensitic transformation.

Effects of alloying and processing modifications on precipitation and strength in 9%Cr ferritic/martensitic steels for fast reactor cladding

NASA Astrophysics Data System (ADS)

Tippey, Kristin E.

P92 was modified with respect to alloying and processing in the attempt to enhance high-temperature microstructural stability and mechanical properties. Alloying effects were modeled in ThermoCalcRTM and analyzed with reference to literature. ThermoCalcRTM modeling was conducted to design two low-carbon P92-like low-carbon alloys with austenite stabilized by alternative alloying; full conversion to austenite allows for a fully martensitic structure. Goals included avoidance of Z-phase, decrease of M23C6 phase fraction and maintained or increased MX phase fraction. Fine carbonitride precipitation was optimized by selecting alloying compositions such that all V and Nb could be solutionized at temperatures outside the delta-ferrite phase field. A low-carbon alloy (LC) and a low-carbon-zero-niobium alloy (0Nb) were identified and fabricated. This low-carbon approach stems from the increased creep resistance reported in several low-carbon alloys, presumably from reduced M23C6 precipitation and maintained MX precipitation [1], although these low-carbon alloys also contained additional tungsten (W) and cobalt (Co) compared to the base P92 alloy. The synergistic effect of Co and W on the microstructure and mechanical properties are difficult to deconvolute. Higher solutionizing temperatures allow more V and Nb into solution and increase prior austenite grain size; however, at sufficiently high temperatures delta-ferrite forms. Optimal solutionizing temperatures to maximize V and Nb in solution, while avoiding the onset of the delta ferrite phase field, were analyzed in ThermoCalcRTM. Optical microscopy showed ThermoCalc RTM predicted higher delta-ferrite onset temperatures of 20 °C in P92 alloys to nearly 50 °C in the designed alloys of the critical temperature. Identifying the balance where maximum fine precipitation is achieved and delta-ferrite avoided is a key factor in the design of an acceptable P92-like alloy for Generation IV reactor cladding. Processing was further modified utilizing thermomechanical processing (TMP) simulations with the GleebleRTM 3500. Hardness increased substantially in thermomechanically processed alloys, with increased hardness strongly correlating to decreased TMP temperature. The most significant difference between low- and high-temperature thermomechanically processed specimens was an increase in crystallite size at the higher temperature. The fundamental reason for higher strength in the TMP conditions is higher dislocation density, as precipitate volume fraction was not specifically improved in TMP conditions. Thermal stability of the base P92 and of the experimental alloys was analyzed by aging the alloys for times ranging from 500 to 10,000 h at 550, 600, 650, and 700 °C. Results suggest the hardness and thermal stability of LC is greater than that of 0Nb at lower aging temperatures and shorter times, with 0Nb surpassing LC microhardness at 10,000 h at 650 °C and for most conditions aged at 700 °C. Small- and wide-angle x-ray scattering (SAXS/WAXS) was conducted at Argonne National Laboratory (ANL). Atom probe tomography (APT) and scanning transmission electron microscopy high-angle annular dark field (STEM-HAADF) in conjunction with EDS were used to elucidate x-ray findings. These microstructural characteristics were then correlated with mechanical properties, including Vickers microhardness testing, elevated-temperature tensile testing, and creep rupture testing. The designed alloys exhibited less stable microstructures leading to less favorable mechanical potencies, as compared to the base P92 alloy. It is posited that factors other than inclination towards MX over M23C6 precipitation are important in generating thermal stability and high-temperature strength, i.e. perhaps the solid solution or diffusion controlling effects of Co in the low-carbon variation of Taneike's alloys [1] delay martensite recovery. The refined thermal profiles, however, put both P92 and LC creep strengths beyond those found in literature.

Phase relations in the Fe-Ni-Cr-S system and the sulfidation of an austenitic stainless steel

NASA Technical Reports Server (NTRS)

Jacob, K. T.; Rao, D. B.; Nelson, H. G.

1977-01-01

The stability fields of various sulfide phases that form on Fe-Cr, Fe-Ni, Ni-Cr and Fe-Cr-Ni alloys were developed as a function of temperature and the partial pressure of sulfur. The calculated stability fields in the ternary system were displayed on plots of log P sub S sub 2 versus the conjugate extensive variable which provides a better framework for following the sulfidation of Fe-Cr-Ni alloys at high temperatures. Experimental and estimated thermodynamic data were used in developing the sulfur potential diagrams. Current models and correlations were employed to estimate the unknown thermodynamic behavior of solid solutions of sulfides and to supplement the incomplete phase diagram data of geophysical literature. These constructed stability field diagrams were in excellent agreement with the sulfide phases and compositions determined during a sulfidation experiment.

Interface Promoted Reversible Mg Insertion in Nanostructured Tin-Antimony Alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cheng, Yingwen; Shao, Yuyan; Parent, Lucas R.

This paper demonstrates intermetallic compounds SnSb are highly active materials for reversibly hosting Mg ions. Compared with monometallic Sn and Sb, SnSb alloy exhibited exceptionally high reversible capacity (420 mAh/g), excellent rate capability and good cyclic stability. Mg insertion into pristine SnSb involves an activation process to complete, which induces particle breakdown and results in phase segregation to Sn-rich and Sb-rich phases. Both experimental analysis and DFT simulation suggest that the Sn-rich phase is particularly active and provides most of the capacity whereas the Sb-rich phase is not as active, and the interface between these two phases play a keymore » role in promoting the formation and stabilization of the cubic Sn phase that is more favorable for fast and reversible Mg insertion. We further show that activated SnSb alloy has good compatibility with simple Mg electrolytes. Overall, this work could provide new approaches for designing materials capable of reversible Mg ion insertion and new opportunities for understanding Mg electrochemistry.« less

Effects of Laves phase particles on recovery and recrystallization behaviors of Nb-containing FeCrAl alloys

DOE PAGES

Sun, Zhiqian; Edmondson, Philip D.; Yamamoto, Yukinori

2017-11-15

The microstructures and mechanical properties of deformed and annealed Nb-containing FeCrAl alloys were investigated. Fine dispersion of Fe 2Nb-type Laves phase particles was observed in the bcc-Fe matrix after applying a thermomechanical treatment, especially along grain/subgrain boundaries, which effectively stabilized the recovered and recrystallized microstructures compared with the Nb-free FeCrAl alloy. The stability of recovered areas increased with Nb content up to 1 wt%. The recrystallized grain structure in Nb-containing FeCrAl alloys consisted of elongated grains along the rolling direction with a weak texture when annealed below 1100 °C. An abnormal relationship between recrystallized grain size and annealing temperature wasmore » found. Microstructural inhomogeneity in the deformed and annealed states was explained based on the Taylor factor. Annealed Nb-containing FeCrAl alloys showed a good combination of strength and ductility, which is desirable for their application as fuel cladding in light-water reactors.« less

The effects of microstructural stability on the compressive response of two cast aluminum alloys up to 300 °C

DOE PAGES

Shower, Patrick T.; Roy, Shibayan; Hawkins, Charles Shane; ...

2017-06-08

Here in this study, the high temperature compressive response of cast aluminum alloys 319 and RR350 is compared in light of their microstructures. The 319 alloy is widely used in thermally critical automotive applications and provides a baseline for comparison with the RR350 alloy, whose microstructural stability at high homologous temperatures was recently reported. Cylindrical compression samples from each alloy were tested at four temperatures up to 300 °C at a constant true strain rate that was varied over four orders of magnitude. Although both alloys are strengthened by metastable precipitates (nominally Al 2Cu) in the as-aged condition, their mechanicalmore » response diverges at temperatures greater than 250 °C as the strengthening precipitates evolve in the 319 alloy and retain their as-aged morphology in the RR350 alloy. Deformation mechanisms of each alloy are examined using microstructural analysis and empirical activation energy calculations. The stability of the θ' phase in the RR350 alloy leads to effective precipitation hardening at homologous temperatures up to 0.6 and an extensive regime of grain boundary controlled deformation.« less

Microstructural stability of fine-grained fully lamellar XD TiAl alloys by step aging

NASA Astrophysics Data System (ADS)

Zhu, Hanliang; Maruyama, K.; Seo, D. Y.; Au, P.

2005-05-01

XD TiAl alloys (Ti-45 and 47Al-2Nb-2Mn+0.8 vol pct TiB2) (at. pct) were oil quenched to produce fine-grained fully lamellar (FGFL) structures, and aging treatments at different temperatures for different durations were carried out to stabilize the FGFL structures. Microstructural examinations show that the aging treatments cause phase transformation of α 2 to γ, resulting in stabilization of the lamellar structure, as indicated by a significant decrease in α 2 volume fraction. However, several degradation processes are also introduced. After aging, within lamellar colonies, the α 2 lamellae become finer due to dissolution, whereas most of the γ lamellae coarsen. The dissolution of α 2 involves longitudinal dissolution and lateral dissolution. In addition, at lamellar colony boundaries, lamellar termination migration, nucleation and growth of γ grains, and discontinuous coarsening occur. With the exception of longitudinal dissolution, all the other transformation modes are considered as degradation processes as they result in a reduction in α 2/ γ interfaces. Different phase transformation modes are present to varying degrees in the aged FGFL structures, depending on aging conditions and Al content. A multiple step aging reduces the drive force for phase transformation at high temperature by promoting phase transformation via longitudinal dissolution at low temperatures. As a result, this aging procedure effectively stabilizes the lamellar structure and suppresses other degradation processes. Therefore, the multiple step aging is suggested to be an optimal aging condition for stabilizing FGFL XD TiAl alloys.

Lattice softening in body-centered-cubic lithium-magnesium alloys

NASA Astrophysics Data System (ADS)

Winter, I. S.; Tsuru, T.; Chrzan, D. C.

2017-08-01

A first-principles investigation of the influence of lattice softening on lithium-magnesium alloys near the body-centered-cubic (bcc)/hexagonal close-packed (hcp) transition composition is presented. Results show that lithium-magnesium alloys display a softening of the shear modulus C11-C12 , and an acoustic phonon branch between the Γ and N high symmetry points, as the composition approaches the stability limit for the bcc phase. This softening is accompanied by an increase in the size of the dislocation core region. Ideal tensile strength calculations predict that ordered phases of lithium-magnesium alloys are intrinsically brittle. Methods to make the alloys more ductile are discussed, and the propensity for these alloys to display gum-metal-like behavior is assessed.

Solid state amorphization of metastable Al 0.5TiZrPdCuNi high entropy alloy investigated by high voltage electron microscopy

DOE PAGES

Nagase, Takeshi; Takeuchi, Akira; Amiya, Kenji; ...

2017-07-18

Here, the phase stability of high entropy alloy (HEA), Al 0.5TiZrPdCuNi, under fast electron irradiation was studied by in-situ high voltage electron microscopy (HVEM). The initial phase of this alloy quenched from the melt was dependent on cooling rate. At high cooling rates an amorphous phase was obtained, whereas a body-centered cubic ( b.c.c.) phase were obtained at low cooling rates. By thermal crystallization of the amorphous phase b.c.c. phase nano-crystals were formed. Upon fast electron irradiation solid state amorphization (SSA) was observed in b.c.c. phase regardless of the initial microstructure (i.e., “coarse crystalline structure” or “nano-crystalline structure with grainmore » boundaries as a sink for point defects”). SSA behavior in the Al 0.5TiZrPdCuNi HEAs was investigated by in-situ transmission electron microscopy observations. Because the amorphization is very rarely achieved in a solid solution phase under fast electron irradiation in common metallic materials, this result suggests that the Al 0.5TiZrPdCuNi HEA from other common alloys and the other HEAs. The differences in phase stability against the irradiation between the Al 0.5TiZrPdCuNi HEA and the other HEAs were discussed. This is the first experimental evidence of SSA in HEAs stimulated by fast electron irradiation.« less

Phase stability and magnetic behavior of FeCrCoNiGe high-entropy alloy

NASA Astrophysics Data System (ADS)

Huang, Shuo; Vida, Ádám; Molnár, Dávid; Kádas, Krisztina; Varga, Lajos Károly; Holmström, Erik; Vitos, Levente

2015-12-01

We report an alternative FeCrCoNiGe magnetic material based on FeCrCoNi high-entropy alloy with Curie point far below the room temperature. Investigations are done using first-principles calculations and key experimental measurements. Results show that the equimolar FeCrCoNiGe system is decomposed into a mixture of face-centered cubic and body-centered cubic solid solution phases. The increased stability of the ferromagnetic order in the as-cast FeCrCoNiGe composite, with measured Curie temperature of 640 K, is explained using the exchange interactions.

Joint Development of a Fourth Generation Single Crystal Superalloy

NASA Technical Reports Server (NTRS)

Walston, S.; Cetel, A.; MacKay, R.; OHara, K.; Duhl, D.; Dreshfield, R.

2004-01-01

A new, fourth generation, single crystal superalloy has been jointly developed by GE Aircraft Engines, Pratt & Whitney, and NASA. The focus of the effort was to develop a turbine airfoil alloy with long-term durability for use in the High Speed Civil Transport. In order to achieve adequate long-time strength improvements at moderate temperatures and retain good microstructural stability, it was necessary to make significant composition changes from 2nd and 3rd generation single crystal superalloys. These included lower chromium levels, higher cobalt and rhenium levels and the inclusion of a new alloying element, ruthenium. It was found that higher Co levels were beneficial to reducing both TCP precipitation and SRZ formation. Ruthenium caused the refractory elements to partition more strongly to the ' phase, which resulted in better overall alloy stability. The final alloy, EPM 102, had significant creep rupture and fatigue improvements over the baseline production alloys and had acceptable microstructural stability. The alloy is currently being engine tested and evaluated for advanced engine applications.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qu, Wentao; Sun, Xuguang; Yuan, Bifei

The microstructures, phase transformations and shape memory properties of Ti-30Zr-xNb (x = 5, 7, 9, 13 at.%) alloys were investigated. The X-ray diffraction and transmission electron microscopy observations showed that the Ti-30Zr-5Nb, Ti-30Zr-7/9Nb and Ti-30Zr-13Nb alloys were composed of the hcp α′-martensite, orthorhombic α″-martensite and β phases, respectively. The results indicated the enhanced β-stabilizing effect of Nb in Ti-30Zr-xNb alloys than that in Ti-Nb alloys due to the high content of Zr. The differential scanning calorimetry test indicated that the Ti-30Zr-5Nb alloy displayed a reversible transformation with a high martensitic transformation start temperature of 776 K and a reverse martensiticmore » transformation start temperature (A{sub s}) of 790 K. For the Ti-30Zr-7Nb and Ti-30Zr-9Nb alloys, the martensitic transformation temperatures decreased with the increasing Nb content. Moreover, an ω phase transformation occurred in the both alloys upon heating at a temperature lower than the corresponding A{sub s}, which is prompted by more addition of Nb. Although the critical stress in tension of the three martensitic alloys decreased with increasing Nb content, the Ti-30Zr-9Nb alloy showed a critical stress of as high as 300 MPa. Among all the alloys, the Ti-30Zr-9Nb alloy exhibited the maximum shape memory effect of 1.61%, due to the lowest critical stress for the martensite reorientation. - Highlights: •Ti-30Zr-5Nb alloy is composed of hcp α′-martensite with the M{sub s} of 776 K. •Ti-30Zr-7Nb and Ti-30Zr-9Nb alloys are predominated by orthorhombic α″-martensite. •Ti-30Zr-13Nb alloy consists of a single β phase due to the β-stabilizing effect of Nb. •The martensitic transformation temperatures decrease with increasing Nb content. •Ti-30Zr-9Nb alloy shows the maximum shape memory effect of 1.61%.« less

Beyond Atomic Sizes and Hume-Rothery Rules: Understanding and Predicting High-Entropy Alloys

DOE PAGES

Troparevsky, M. Claudia; Morris, James R.; Daene, Markus; ...

2015-09-03

High-entropy alloys constitute a new class of materials that provide an excellent combination of strength, ductility, thermal stability, and oxidation resistance. Although they have attracted extensive attention due to their potential applications, little is known about why these compounds are stable or how to predict which combination of elements will form a single phase. Here, we present a review of the latest research done on these alloys focusing on the theoretical models devised during the last decade. We discuss semiempirical methods based on the Hume-Rothery rules and stability criteria based on enthalpies of mixing and size mismatch. To provide insightsmore » into the electronic and magnetic properties of high-entropy alloys, we show the results of first-principles calculations of the electronic structure of the disordered solid-solution phase based on both Korringa Kohn Rostoker coherent potential approximation and large supercell models of example face-centered cubic and body-centered cubic systems. Furthermore, we discuss in detail a model based on enthalpy considerations that can predict which elemental combinations are most likely to form a single-phase high-entropy alloy. The enthalpies are evaluated via first-principles high-throughput density functional theory calculations of the energies of formation of binary compounds, and therefore it requires no experimental or empirically derived input. Finally, the model correctly accounts for the specific combinations of metallic elements that are known to form single-phase alloys while rejecting similar combinations that have been tried and shown not to be single phase.« less

Stability of Ni-bsed bulk metallic glasses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tokarz, Michelle L; Speakman, Scott A; Porter, Wallace D

Several ternary (Ni{sub x}Nb{sub y}Sn{sub z}) refractory alloy glasses (RAGs) were studied at elevated temperatures in order to assess the stability of the amorphous state, i.e. devitrification, and to identify subsequent phase transformations in these materials. differential scanning calorimetry (DSC) experiments indicated a complex phase transformation sequence with several distinct crystallization and melting events being recorded above the glass transition temperature, T{sub g}. Below T{sub g} the RAG samples were studied with an in situ environmental X-ray furnace facility, which allowed step-wise isothermal ramping experiments commencing at a temperature below the reduced temperature of T/T{sub g} {approx} 0.80. Distinct crystallinemore » phases were observed when T/T{sub g} {approx} 0.84 for ternary RAG alloys, while similar experiments on Zr-based Vit 106 glass alloys did not reveal any apparent phase separation until T/T{sub g} {approx} 0.96. The phase separation kinetics followed an Arrhenius type of relationship with Ni{sub 3}Sn, and Nb{sub 2}O{sub 5} being the principle crystalline precipitates.« less

Mechanism of Radiation Damage Reduction in Equiatomic Multicomponent Single Phase Alloys.

PubMed

Granberg, F; Nordlund, K; Ullah, Mohammad W; Jin, K; Lu, C; Bei, H; Wang, L M; Djurabekova, F; Weber, W J; Zhang, Y

2016-04-01

Recently a new class of metal alloys, of single-phase multicomponent composition at roughly equal atomic concentrations ("equiatomic"), have been shown to exhibit promising mechanical, magnetic, and corrosion resistance properties, in particular, at high temperatures. These features make them potential candidates for components of next-generation nuclear reactors and other high-radiation environments that will involve high temperatures combined with corrosive environments and extreme radiation exposure. In spite of a wide range of recent studies of many important properties of these alloys, their radiation tolerance at high doses remains unexplored. In this work, a combination of experimental and modeling efforts reveals a substantial reduction of damage accumulation under prolonged irradiation in single-phase NiFe and NiCoCr alloys compared to elemental Ni. This effect is explained by reduced dislocation mobility, which leads to slower growth of large dislocation structures. Moreover, there is no observable phase separation, ordering, or amorphization, pointing to a high phase stability of this class of alloys.

Mechanism of Radiation Damage Reduction in Equiatomic Multicomponent Single Phase Alloys

NASA Astrophysics Data System (ADS)

Granberg, F.; Nordlund, K.; Ullah, Mohammad W.; Jin, K.; Lu, C.; Bei, H.; Wang, L. M.; Djurabekova, F.; Weber, W. J.; Zhang, Y.

2016-04-01

Recently a new class of metal alloys, of single-phase multicomponent composition at roughly equal atomic concentrations ("equiatomic"), have been shown to exhibit promising mechanical, magnetic, and corrosion resistance properties, in particular, at high temperatures. These features make them potential candidates for components of next-generation nuclear reactors and other high-radiation environments that will involve high temperatures combined with corrosive environments and extreme radiation exposure. In spite of a wide range of recent studies of many important properties of these alloys, their radiation tolerance at high doses remains unexplored. In this work, a combination of experimental and modeling efforts reveals a substantial reduction of damage accumulation under prolonged irradiation in single-phase NiFe and NiCoCr alloys compared to elemental Ni. This effect is explained by reduced dislocation mobility, which leads to slower growth of large dislocation structures. Moreover, there is no observable phase separation, ordering, or amorphization, pointing to a high phase stability of this class of alloys.

Mechanism of Radiation Damage Reduction in Equiatomic Multicomponent Single Phase Alloys

DOE PAGES

Granberg, F.; Nordlund, K.; Ullah, Mohammad W.; ...

2016-04-01

Recently a new class of metal alloys, of single-phase multicomponent composition at roughly equal atomic concentrations (“equiatomic”), have been shown to exhibit promising mechanical, magnetic, and corrosion resistance properties, in particular, at high temperatures. These features make them potential candidates for components of next-generation nuclear reactors and other high-radiation environments that will involve high temperatures combined with corrosive environments and extreme radiation exposure. In spite of a wide range of recent studies of many important properties of these alloys, their radiation tolerance at high doses remains unexplored. In this work, a combination of experimental and modeling efforts reveals a substantialmore » reduction of damage accumulation under prolonged irradiation in single-phase NiFe and NiCoCr alloys compared to elemental Ni. This effect is explained by reduced dislocation mobility, which leads to slower growth of large dislocation structures. Finally and moreover, there is no observable phase separation, ordering, or amorphization, pointing to a high phase stability of this class of alloys.« less

THE PARTITIONING OF ALLOYING ELEMENTS IN MALLEABLE IRONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sandoz, G.

1958-12-23

The partitioning of a number of alloying elements between the cementite and austenite phases of irons during first-stage graphitization has been determined. For the most part, the data were obtained by chemical analyses of the cementite chemically extracted from irons quenched after selected periods at l650 F. Spot checks of these results and some explorations of alloy distribution in the matrix were made with the electron probe microanalyzer. The results show that the elements V, Cr, Mo, and Mn (not combined with S) concentrate in the cementite phase and may further enrich in this phase during graphitization. Small but measurablemore » amounts of the elements Si, Cu, Ni, Co, and Al are also found in the cementite phase. Sulfur dissolves partially in the cementite phase but is removed insofar as MnS is formed. The finding of significant amounts of every alloying element investigated in the cementite phase suggests that the mechanism by which alloying elements influenee graphitization kinetics may involve a change in the thermodynamic stability of the cementite phase. (auth)« less

Siegfried S. Hecker, Plutonium, and Nonproliferation

Science.gov Websites

controversy involving the stability of certain structures (or phases) in plutonium alloys near equilibrium Cold War is Over. What Now?, DOE Technical Report, April, 1995 6th US-Russian Pu Science Workshop * Aging of Plutonium and Its Alloys * A Tale of Two Diagrams * Plutonium and Its Alloys-From Atoms to

Nanoindentation testing as a powerful screening tool for assessing phase stability of nanocrystalline high-entropy alloys

DOE PAGES

Maier-Kiener, Verena; Schuh, Benjamin; George, Easo P.; ...

2016-11-19

The equiatomic high-entropy alloy (HEA), CrMnFeCoNi, has recently been shown to be microstructurally unstable, resulting in a multi-phase microstructure after intermediate-temperature annealing treatments. The decomposition occurs rapidly in the nanocrystalline (NC) state and after longer annealing times in coarse-grained states. To characterize the mechanical properties of differently annealed NC states containing multiple phases, nanoindentation was used in this paper. The results revealed besides drastic changes in hardness, also for the first time significant changes in the Young's modulus and strain rate sensitivity. Finally, nanoindentation of NC HEAs is, therefore, a useful complementary screening tool with high potential as a highmore » throughput approach to detect phase decomposition, which can also be used to qualitatively predict the long-term stability of single-phase HEAs.« less

Effect of Ag additions on the lengthening rate of Ω plates and formation of σ phase in Al-Cu-Mg alloys during thermal exposure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, Yaru; Liu, Zhiyi, E-mail: liuzhiyi@csu.edu.c

Effect of Ag additions on the mechanical properties and microstructures of the peak-aged Al-Cu-Mg alloys during prolonged thermal exposure at 150 °C, was investigated by tensile testing, conventional transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM). The results showed that after exposure for 500 h, > 85% of the peak strength remained. Microstructure observations indicated that increasing the Ag content from 0.14 to 0.57% promoted the precipitation of a fine and uniform Ω phase and suppressed the formation of the θ′ phase, leading to a notable improvement of the strength properties and thermal stability of the studied alloys.more » Quantitative TEM analysis showed that the coarsening of Ω phase was predominated by plate lengthening rather than thickening, while its lengthening rate was independent of various Ag additions during exposure at 150 °C. In addition, an increase of Ag also facilitated the formation of a cubic σ phase, which was further supported by STEM results. - Highlights: •Increasing Ag improved strength properties and thermal stability of the alloys. •After exposure for 500 h, > 85% of the peak strength remained. •The lengthening rate of Ω plates remained constant as Ag increased at 150 °C. •Increasing Ag content facilitated the formation of σ phase.« less

Behavior of sheets from Ti-alloys by rolling and heat treatment

NASA Astrophysics Data System (ADS)

Isaenkova, M.; Perlovich, Yu.; Fesenko, V.; Gritskevich, M.; Stolbov, S.; Zaripova, M.

2017-10-01

Sheets from single- and two-phase Ti-alloys (VT1-0, Ti-22Nb-9%Zr and VT-16) were rolled at the room temperature up to various deformation degrees and annealed at temperatures 500-900 °C. The regularities of texture formation in both phases were established. In the technically pure Ti (VT1-0) with the single α-Ti phase the final stable texture component is (0001)±30-40°ND-TD<101 ¯0>. In the two-phase alloy the reorientation of basal axes of α-Ti occurs by the same trajectories as in the single phase alloy. However, in the case of two-phase alloy texture development in α-Ti stops at the intermediate stage, when this texture consists of components with rolling planes (0001)±15-20°ND-RD and (0001)±30-40°ND-TD. The stability of the first components can be provided both by the mutually balanced operation of pyramidal and basal slip systems, activity of which remains at the high deformation degree of two-phase alloy, and by the dynamic α↔β phase transformations, taking place in the distorted structures of α- and β-phases in the course of its cold rolling. At recrystallization of technically pure Ti the basal component disappears in its texture. At the same time, prismatic axes turn by angles 20÷30° depending on the heating rate of the rolled sheet and annealing temperature. At recrystallization of the two-phase Ti-alloy prismatic axes of its α-grains doesn't turn relative to their positions in the rolling texture, as it occurs in the single-phase alloy. This fact indicates to some alternative mode of arising new recrystallized grains in two-phase alloys.

Age hardening and creep resistance of cast Al–Cu alloy modified by praseodymium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bai, Zhihao; Qiu, Feng; Wu, Xiaoxue

The effects of praseodymium on age hardening behavior and creep resistance of cast Al–Cu alloy were investigated. The results indicated that praseodymium facilitated the formation of the θ′ precipitates during the age process and improved the hardness of the Al–Cu alloy. Besides, praseodymium resulted in the formation of the Al{sub 11}Pr{sub 3} phase in the grain boundaries and among the dendrites of the modified alloy. Because of the good thermal stability of Al{sub 11}Pr{sub 3} phase, it inhibits grain boundary migration and dislocation movement during the creep process, which contributes to the improvement in the creep resistance of the modifiedmore » alloy at elevated temperatures. - Highlights: • Pr addition enhances the hardness and creep resistance of the Al–Cu alloy. • Pr addition facilitates the formation of the θ′ precipitates. • Pr addition results in the formation of the Al11Pr3 phase in the Al–Cu alloy.« less

Phase transition temperature in the Zr-rich corner of Zr-Nb-Sn-Fe alloys

NASA Astrophysics Data System (ADS)

Canay, M.; Danón, C. A.; Arias, D.

2000-08-01

The influence of small composition changes on the phase transformation temperature of Zr-1Nb-1Sn-0.2(0.7)Fe alloys was studied in the present work, by electrical resistivity measurements and metallographic techniques. For the alloy with 0.2 at.% Fe we have determined Tα↔α+β=741°C and Tα+β↔β=973°C, and for the 0.7 at.% Fe the transformation temperatures were T α↔α+β=712°C and T α+β↔β=961°C. We have verified that the addition of Sn stabilized the β phase.

Phase stability, ordering tendencies, and magnetism in single-phase fcc Au-Fe nanoalloys

DOE PAGES

Zhuravlev, I. A.; Barabash, S. V.; An, J. M.; ...

2017-10-01

Bulk Au-Fe alloys separate into Au-based fcc and Fe-based bcc phases, but L1 0 and L1 2 orderings were reported in single-phase Au-Fe nanoparticles. Motivated by these observations, we study the structural and ordering energetics in this alloy by combining density functional theory (DFT) calculations with effective Hamiltonian techniques: a cluster expansion with structural filters, and the configuration-dependent lattice deformation model. The phase separation tendency in Au-Fe persists even if the fcc-bcc decomposition is suppressed. The relative stability of disordered bcc and fcc phases observed in nanoparticles is reproduced, but the fully ordered L1 0 AuFe, L1 2 Au 3Fe,more » and L1 2 AuFe 3 structures are unstable in DFT. But, a tendency to form concentration waves at the corresponding [001] ordering vector is revealed in nearly-random alloys in a certain range of concentrations. Furthermore, this incipient ordering requires enrichment by Fe relative to the equiatomic composition, which may occur in the core of a nanoparticle due to the segregation of Au to the surface. Effects of magnetism on the chemical ordering are also discussed.« less

Phase stability, ordering tendencies, and magnetism in single-phase fcc Au-Fe nanoalloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhuravlev, I. A.; Barabash, S. V.; An, J. M.

Bulk Au-Fe alloys separate into Au-based fcc and Fe-based bcc phases, but L1 0 and L1 2 orderings were reported in single-phase Au-Fe nanoparticles. Motivated by these observations, we study the structural and ordering energetics in this alloy by combining density functional theory (DFT) calculations with effective Hamiltonian techniques: a cluster expansion with structural filters, and the configuration-dependent lattice deformation model. The phase separation tendency in Au-Fe persists even if the fcc-bcc decomposition is suppressed. The relative stability of disordered bcc and fcc phases observed in nanoparticles is reproduced, but the fully ordered L1 0 AuFe, L1 2 Au 3Fe,more » and L1 2 AuFe 3 structures are unstable in DFT. But, a tendency to form concentration waves at the corresponding [001] ordering vector is revealed in nearly-random alloys in a certain range of concentrations. Furthermore, this incipient ordering requires enrichment by Fe relative to the equiatomic composition, which may occur in the core of a nanoparticle due to the segregation of Au to the surface. Effects of magnetism on the chemical ordering are also discussed.« less

Ti12.5Zr21V10Cr8.5MnxCo1.5Ni46.5-x AB2-type metal hydride alloys for electrochemical storage application: Part 1. Structural characteristics

NASA Astrophysics Data System (ADS)

Bendersky, L. A.; Wang, K.; Levin, I.; Newbury, D.; Young, K.; Chao, B.; Creuziger, A.

2012-11-01

The microstructures of a series of AB2-based metal hydride alloys (Ti12.5Zr21V10Cr8.5MnxCo1.5Ni46.5-x) designed to have different fractions of non-Laves secondary phases were studied by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, energy dispersive X-ray spectrometry, and electron backscatter diffraction. The results indicate that the alloys contain a majority of hydrogen storage Laves phases and a minority of fine-structured non-Laves phases. Formation of the phases is accomplished by dendritic growth of a hexagonal C14 Laves phase. The C14 phase is followed by either a peritectic solidification of a cubic C15 Laves phase (low Mn containing alloys) or a C14 phase of different composition (high Mn containing alloys), and finally a B2 phase formed in the interdendritic regions (IDR). The interdendritic regions may then undergo further solid-state transformation into Zr7Ni10-type, Zr9Ni11-type and TiNi-type phases. As the Mn content in the alloy increases, the fraction of the C14 phase increases, whereas the fraction of C15 decreases. In the IDRs when the alloy's Mn content increases the Zr9Ni11 phases and Zr7Ni10 phase fraction first increases and then decreases, while the TiNi-based phase fraction first increases and then stabilized at 0.02. IDR compositions can be generally expressed as (Ti,Zr,V,Cr,Mn,Co)50Ni50, which accounted for 7-10% of the overall alloy volume fraction.

Processing, physical metallurgy and creep of NiAl + Ta and NiAl + Nb alloys. Ph.D. Thesis. Final Contractor Report

NASA Technical Reports Server (NTRS)

Pathare, Viren M.

1988-01-01

Powder processed NiAl + Ta alloys containing 1, 2, and 4.5 at percent tantalum and NiAl + Nb alloys containing 1 and 2 at percent niobium were developed for improved creep properties. In addition, a cast alloy with 5 at percent tantalum was also studied. Hot extrusion parameters for processing alloys with 1 and 2 at percent of tantalum or niobium were designed. The NiAl + 4.5 at percent Ta alloy could be vacuum hot pressed successfully, even though it could not be extruded. All the phases in the multiphase alloys were identified and the phase transformations studied. The Ni2AlTa in NiAl + 4.5 at percent Ta alloy transforms into a liquid phase above 1700 K. Solutionizing and annealing below this temperature gives rise to a uniform distribution of fine second phase precipitates. Compressive creep properties were evaluated at 1300 K using constant load and constant velocity tests. In the higher strain rate region single phase NiAl + 1 at percent Ta and NiAl + 1 at percent Nb alloys exhibit a stress exponent of 5 characteristic of climb controlled dislocation creep. In slower strain rate regime diffusional creep becomes important. The two phase alloys containing 2 to 5 at percent Ta and 2 at percent Nb show considerable improvement over binary NiAl and single phase alloys. Loose dislocation networks and tangles stabilized by the precipitates were found in the as crept microstructure. The cast alloy which has larger grains and a distribution of fine precipitates shows the maximum improvement over binary NiAl.

Synthesis, structure stability and magnetic properties of nanocrystalline Ag-Ni alloy

NASA Astrophysics Data System (ADS)

Santhi, Kalavathy; Thirumal, E.; Karthick, S. N.; Kim, Hee-Je; Nidhin, Marimuthu; Narayanan, V.; Stephen, A.

2012-05-01

Silver-nickel alloy nanoparticles with an average size of 30-40 nm were synthesized by chemically reducing the mixture of silver and nickel salts using sodium borohydride. The structure and the magnetic properties of the alloy samples with different compositions were investigated. The phase stability of the material was analysed after annealing the sample in vacuum at various temperatures. The material exhibits single fcc phase which is stable up to 400 °C and Ni precipitation sets in when the sample is annealed to 500 °C. The thermal analysis using DSC was carried out to confirm the same. The alloy compositions are found to be in close correlation with the metal salt ratios in the precursors. The synthesized samples exhibit weak paramagnetic to ferromagnetic behaviour. The magnetic measurements reveal that by adjusting the precursor ratio, the Ni content in the material can be altered and hence its magnetic properties tailored to suit specific requirements. The formation of Ag-Ni alloy is confirmed by the observed Curie temperature from the magneto thermogram. Annealing the sample helps to produce significant enhancement in the magnetization of the material.

Correlation between Mechanical Behavior and Actuator-type Performance of Ni-Ti-Pd High-temperature Shape Memory Alloys

NASA Technical Reports Server (NTRS)

Bigelow, Glen S.; Padula, Santo A., II; Garg, Anita; Noebe, Ronald D.

2007-01-01

High-temperature shape memory alloys in the NiTiPd system are being investigated as lower cost alternatives to NiTiPt alloys for use in compact solid-state actuators for the aerospace, automotive, and power generation industries. A range of ternary NiTiPd alloys containing 15 to 46 at.% Pd has been processed and actuator mimicking tests (thermal cycling under load) were used to measure transformation temperatures, work behavior, and dimensional stability. With increasing Pd content, the work output of the material decreased, while the amount of permanent strain resulting from each load-biased thermal cycle increased. Monotonic isothermal tension testing of the high-temperature austenite and low temperature martensite phases was used to partially explain these behaviors, where a mismatch in yield strength between the austenite and martensite phases was observed at high Pd levels. Moreover, to further understand the source of the permanent strain at lower Pd levels, strain recovery tests were conducted to determine the onset of plastic deformation in the martensite phase. Consequently, the work behavior and dimensional stability during thermal cycling under load of the various NiTiPd alloys is discussed in relation to the deformation behavior of the materials as revealed by the strain recovery and monotonic tension tests.

Correlation between mechanical behavior and actuator-type performance of Ni-Ti-Pd high-temperature shape memory alloys

NASA Astrophysics Data System (ADS)

Bigelow, Glen S.; Padula, Santo A., II; Garg, Anita; Noebe, Ronald D.

2007-04-01

High-temperature shape memory alloys in the NiTiPd system are being investigated as lower cost alternatives to NiTiPt alloys for use in compact solid-state actuators for the aerospace, automotive, and power generation industries. A range of ternary NiTiPd alloys containing 15 to 46 at.% Pd has been processed and actuator mimicking tests (thermal cycling under load) were used to measure transformation temperatures, work behavior, and dimensional stability. With increasing Pd content, the work output of the material decreased, while the amount of permanent strain resulting from each load-biased thermal cycle increased. Monotonic isothermal tension testing of the high-temperature austenite and low temperature martensite phases was used to partially explain these behaviors, where a mismatch in yield strength between the austenite and martensite phases was observed at high Pd levels. Moreover, to further understand the source of the permanent strain at lower Pd levels, strain recovery tests were conducted to determine the onset of plastic deformation in the martensite phase. Consequently, the work behavior and dimensional stability during thermal cycling under load of the various NiTiPd alloys is discussed in relation to the deformation behavior of the materials as revealed by the strain recovery and monotonic tension tests.

Microstructure and hydrogenation properties of a melt-spun non-stoichiometric Zr-based Laves phase alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Tiebang, E-mail: tiebangzhang@nwpu.edu.cn; Zhang, Yunlong; Li, Jinshan

2016-01-15

Alloy with composition of Zr{sub 0.9}Ti{sub 0.1}V{sub 1.7} off normal stoichiometric proportion is selected to investigate the effect of defects introduced by non-stoichiometry on hydrogenation kinetics of Zr–Ti–V Laves phase alloys. Microstructure and phase constituent of melt-spun ribbons have been investigated in this work. The activation process, hydrogenation kinetics, thermodynamics characteristics and hydride phase constituent of as-cast alloy and melt-spun ribbons are also compared. Comparing with the as-cast alloy, the dominant Laves phase ZrV{sub 2} is preserved, V-BCC phase is reduced and α-Zr phase is replaced by a small amount of Zr{sub 3}V{sub 3}O phase in melt-spun ribbons. Melt-spun ribbonsmore » exhibit easy activation and fast initial hydrogen absorption on account of the increased specific surface area. However, the decrease in unit cell volume of the dominant phase leads to the decrease in hydrogen absorption capacity. Melt-spinning technique raises the equilibrium pressure and decreases the stability of hydride due to the decrease of unit cell volume and the elimination of α-Zr phase, respectively. Melt-spun ribbons with fine grains show improved hydrogen absorption kinetics comparing with that of the as-cast alloy. Meanwhile, the prevalent micro twins observed within melt-spun ribbons are believed to account for the improved hydrogen absorption kinetics. - Highlights: • Role of defects on hydrogenation kinetics of Zr-based alloys is proposed. • Microstructure and hydrogenation properties of as-cast/melt-spun alloy are compared. • Melt-spinning technique improves the hydrogenation kinetics of Zr{sub 0.9}Ti{sub 0.1}V{sub 1.7} alloy. • Refined grains and twin defects account for improved hydrogen absorption kinetics.« less

Microstructural Evolution of Thor™ 115 Creep-Strength Enhanced Ferritic Steel

NASA Astrophysics Data System (ADS)

Ortolani, Matteo; D'Incau, Mirco; Ciancio, Regina; Scardi, Paolo

2017-12-01

A new ferritic steel branded as Thor™ 115 has been developed to enhance high-temperature resistance. The steel design combines an improved oxidation resistance with long-term microstructural stability. The new alloy, cast to different product forms such as plates and tubes, was extensively tested to assess the high-temperature time-dependent mechanical behavior (creep). The main strengthening mechanism is precipitation hardening by finely dispersed carbide and nitride phases. Information on the evolution of secondary phases and time-temperature-precipitation behavior of the alloy, essential to ensure long-term property stability, was obtained by scanning transmission electron microscopy with energy dispersive spectroscopy, and by X-ray Powder Diffraction on specimens aged up to 50,000 hours. A thermodynamic modeling supports presentation and evaluation of the experimental results. The evolution of precipitates in the new alloy confirms the retention of the strengthening by secondary phases, even after long-term exposure at high temperature. The deleterious conversion of nitrides into Z phase is shown to be in line with, or even slower than that of the comparable ASME grade 91 steel.

Metals Technology for Aerospace Applications in 2020: Development of High Temperature Aluminum Alloys For Aerospace Applications

NASA Technical Reports Server (NTRS)

Dicus, Dennis (Technical Monitor); Starke, Edgar A., Jr.

2003-01-01

The role of trace additions on the nucleation and stability of the primary strengthening phase, omega, is of paramount importance for the enhancement of mechanical properties for moderate temperature application of Al-Cu-Mg-(Ag) alloys. In order to better understand the competition for solute, which governs the microstructural evolution of these alloys, a series of Al-Cu-Mg-Si quaternary alloys were prepared to investigate the role of trace Si additions on the nucleation of the omega phase. Si additions were found to quell omega nucleation in conjunction with the enhanced matrix precipitation of competing phases. These initial results indicate that it is necessary to overcome a critical Mg/Si ratio for omega precipitation, rather than a particular Si content.

Advancement of Compositional and Microstructural Design of Intermetallic γ-TiAl Based Alloys Determined by Atom Probe Tomography

PubMed Central

Klein, Thomas; Clemens, Helmut; Mayer, Svea

2016-01-01

Advanced intermetallic alloys based on the γ-TiAl phase have become widely regarded as most promising candidates to replace heavier Ni-base superalloys as materials for high-temperature structural components, due to their facilitating properties of high creep and oxidation resistance in combination with a low density. Particularly, recently developed alloying concepts based on a β-solidification pathway, such as the so-called TNM alloy, which are already incorporated in aircraft engines, have emerged offering the advantage of being processible using near-conventional methods and the option to attain balanced mechanical properties via subsequent heat-treatment. Development trends for the improvement of alloying concepts, especially dealing with issues regarding alloying element distribution, nano-scale phase characterization, phase stability, and phase formation mechanisms demand the utilization of high-resolution techniques, mainly due to the multi-phase nature of advanced TiAl alloys. Atom probe tomography (APT) offers unique possibilities of characterizing chemical compositions with a high spatial resolution and has, therefore, been widely used in recent years with the aim of understanding the materials constitution and appearing basic phenomena on the atomic scale and applying these findings to alloy development. This review, thus, aims at summarizing scientific works regarding the application of atom probe tomography towards the understanding and further development of intermetallic TiAl alloys. PMID:28773880

Advancement of Compositional and Microstructural Design of Intermetallic γ-TiAl Based Alloys Determined by Atom Probe Tomography.

PubMed

Klein, Thomas; Clemens, Helmut; Mayer, Svea

2016-09-06

Advanced intermetallic alloys based on the γ-TiAl phase have become widely regarded as most promising candidates to replace heavier Ni-base superalloys as materials for high-temperature structural components, due to their facilitating properties of high creep and oxidation resistance in combination with a low density. Particularly, recently developed alloying concepts based on a β-solidification pathway, such as the so-called TNM alloy, which are already incorporated in aircraft engines, have emerged offering the advantage of being processible using near-conventional methods and the option to attain balanced mechanical properties via subsequent heat-treatment. Development trends for the improvement of alloying concepts, especially dealing with issues regarding alloying element distribution, nano-scale phase characterization, phase stability, and phase formation mechanisms demand the utilization of high-resolution techniques, mainly due to the multi-phase nature of advanced TiAl alloys. Atom probe tomography (APT) offers unique possibilities of characterizing chemical compositions with a high spatial resolution and has, therefore, been widely used in recent years with the aim of understanding the materials constitution and appearing basic phenomena on the atomic scale and applying these findings to alloy development. This review, thus, aims at summarizing scientific works regarding the application of atom probe tomography towards the understanding and further development of intermetallic TiAl alloys.

Improved Thermoelectric Performance Achieved by Regulating Heterogeneous Phase in Half-Heusler TiNiSn-Based Materials

NASA Astrophysics Data System (ADS)

Chen, Jun-Liang; Liu, Chengyan; Miao, Lei; Gao, Jie; Zheng, Yan-yan; Wang, Xiaoyang; Lu, Jiacai; Shu, Mingzheng

2018-06-01

With excellent high-temperature stability (up to 1000 K) and favorable electrical properties for thermoelectric application, TiNiSn-based half-Heusler (HH) alloys are expected to be promising thermoelectric materials for the recovery of waste heat in the temperature ranging from 700 K to 900 K. However, their thermal conductivity is always relatively high (5-10 W/mK), making it difficult to further enhance their thermoelectric figure-of-merit ( ZT). In the past decade, introducing nano-scale secondary phases into the HH alloy matrix has been proven to be feasible for optimizing the thermoelectric performance of TiNiSn. In this study, a series of TiNiSn-based alloys have been successfully synthesized by a simple solid-state reaction. The content and composition of the heterogeneous phase (TiNi2Sn and Sn) is accurately regulated and, as a result, the thermal conductivity successfully reduced from 4.9 W m-1 K-1 to 3.0 Wm-1 K-1 (750 K) due to multi-scale phonon scattering. Consequently, a ZT value of 0.49 is achieved at 750 K in our TiNiSn-based thermoelectric materials. Furthermore, the thermal stability of TiNiSn alloys is enhanced through reducing the Sn substance phase.

Improved Thermoelectric Performance Achieved by Regulating Heterogeneous Phase in Half-Heusler TiNiSn-Based Materials

NASA Astrophysics Data System (ADS)

Chen, Jun-Liang; Liu, Chengyan; Miao, Lei; Gao, Jie; Zheng, Yan-yan; Wang, Xiaoyang; Lu, Jiacai; Shu, Mingzheng

2017-12-01

With excellent high-temperature stability (up to 1000 K) and favorable electrical properties for thermoelectric application, TiNiSn-based half-Heusler (HH) alloys are expected to be promising thermoelectric materials for the recovery of waste heat in the temperature ranging from 700 K to 900 K. However, their thermal conductivity is always relatively high (5-10 W/mK), making it difficult to further enhance their thermoelectric figure-of-merit (ZT). In the past decade, introducing nano-scale secondary phases into the HH alloy matrix has been proven to be feasible for optimizing the thermoelectric performance of TiNiSn. In this study, a series of TiNiSn-based alloys have been successfully synthesized by a simple solid-state reaction. The content and composition of the heterogeneous phase (TiNi2Sn and Sn) is accurately regulated and, as a result, the thermal conductivity successfully reduced from 4.9 W m-1 K-1 to 3.0 Wm-1 K-1 (750 K) due to multi-scale phonon scattering. Consequently, a ZT value of 0.49 is achieved at 750 K in our TiNiSn-based thermoelectric materials. Furthermore, the thermal stability of TiNiSn alloys is enhanced through reducing the Sn substance phase.

Composition-dependent properties and phase stability of Fe-Pd ferromagnetic shape memory alloys: A first-principles study

NASA Astrophysics Data System (ADS)

Li, Chun-Mei; Hu, Yan-Fei

2017-12-01

The composition-dependent properties and their correlation with the phase stability of Fe75+xPd25-x (- 10.0 ≤x ≤10.0 ) alloys are systematically investigated by using first-principles exact muffin-tin orbitals (EMTO)-coherent potential approximation (CPA) calculations. It is shown that the martensitic transformation (MT) from L 12 to body-centered-tetragonal (bct) occurs in the ordered alloys with about -5.0 ≤x ≤10.0 . In both the L 12 and bct phases, the evaluated a and c/a agree well with the available experimental data; the average magnetic moment per atom increases whereas the local magnetic moments of Fe atoms, dependent on both their positions and the structure of the alloy, decrease with increasing x. The tetragonal shear elastic constant of the L 12 phase ( C ' ) decreases whereas that of the bct phase (Cs) increases with x. The tetragonality of the martensite ( |1 -c /a | ) increases whereas its energy relative to the austenite with a negative value decreases with Fe addition. All these effects account for the increase of MT temperature (TM) with x. The MT from L 12 to bct is finally confirmed originating from the splitting of Fe 3d Eg and T2 g bands upon tetragonal distortion due to the Jahn-Teller effect.

Structures and Electrochemical Hydrogen Storage Properties of the As-Spun RE-Mg-Ni-Co-Al-Based AB2-Type Alloys Applied to Ni-MH Battery

NASA Astrophysics Data System (ADS)

Zhang, Yanghuan; Yuan, Zeming; Shang, Hongwei; Li, Yaqin; Qi, Yan; Zhao, Dongliang

2017-05-01

In this paper, the La0.8- x Ce0.2Y x MgNi3.5Co0.4Al0.1 ( x = 0, 0.05, 0.1, 0.15, 0.2) alloys were synthesized via smelting and melt spinning. The effect of Y content on the structure and electrochemical hydrogen storage characteristics of the as-cast and spun alloys was investigated. The identifications of XRD and SEM demonstrate that the experimental alloys possess a major phase LaMgNi4 and a minor phase LaNi5. The variation of Y content results in an obvious transformation of the phase abundance rather than phase composition in the alloys, namely LaMgNi4 phase increases while LaNi5 phase decreases with Y content growing. Furthermore, the replacement of Y for La causes the lattice constants and cell volume to clearly decrease and markedly refines the alloy grains. The electrochemical tests reveal that these alloys can obtain the maximum values of discharge capacity at the first cycling without any activation needed. With Y content growing, the discharge capacity of the alloys obviously declines, but its cycle stability remarkably improves. Moreover, the electrochemical dynamics of the alloys, involving the high-rate discharge ability, hydrogen diffusion coefficient ( D), limiting current density ( I L), and charge transfer rate, initially augment and then decrease with rising Y content.

Re Effects on Phase Stability and Mechanical Properties of MoSS+Mo3Si+Mo5SiB2 alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Ying; Bei, Hongbin; George, Easo P

2013-01-01

Because of their high melting points and good oxidation resistance Mo-Si-B alloys are of interest as potential ultrahigh-temperature structural materials. But their major drawbacks are poor ductility and fracture toughness at room temperature. Since alloying with Re has been suggested as a possible solution, we investigate here the effects of Re additions on the microstructure and mechanical properties of a ternary alloy with the composition Mo-12.5Si-8.5B (at.%). This alloy has a three-phase microstructure consisting of Mo solid-solution (MoSS), Mo3Si, and Mo5SiB2 and our results show that up to 8.4 at.% Re can be added to it without changing its microstructuremore » or forming any brittle phase at 1600 C. Three-point bend tests using chevron-notched specimens showed that Re did not improve fracture toughness of the three-phase alloy. Nanoindentation performed on the MoSS phase in the three-phase alloy showed that Re increases Young s modulus, but does not lower hardness as in some Mo solid solution alloys. Based on our thermodynamic calculations and microstructural analyses, the lack of a Re softening effect is attributed to the increased Si levels in the Re-containing MoSS phase since Si is known to increase its hardness. This lack of softening is possibly why there is no Re-induced improvement in fracture toughness.« less

Coupled Growth in Hypermonotectics

NASA Technical Reports Server (NTRS)

Andrews, J. Barry; Coriell, Sam R.

2001-01-01

The overall objective of this project is to obtain a fundamental understanding of the physics controlling solidification processes in immiscible alloy systems. The investigation involves both experimentation and the development of a model describing solidification in monotectic systems. The experimental segment was designed to first demonstrate that it is possible to obtain interface stability and steady state coupled growth in hypermonotectic alloys through microgravity processing. Microgravity results obtained to date have verified this possibility. Future flights will permit experimental determination of the limits of interface stability and the influence of alloy composition and growth rate on microstructure. The objectives of the modeling segment of the investigation include prediction of the limits of interface stability, modeling of convective flow due to residual acceleration, and the influence of surface tension driven flows at the solidification interface. The study of solidification processes in immiscible alloy systems is hindered by the inherent convective flow that occurs on Earth and by the possibility of sedimentation of the higher density immiscible liquid phase. It has been shown that processing using a high thermal gradient and a low growth rate can lead to a stable macroscopically planar growth front even in hypermonotectic alloys. Processing under these growth conditions can avoid constitutional supercooling and prevent the formation of the minor immiscible liquid phase in advance of the solidification front. However, the solute depleted boundary layer that forms in advance of the solidification front is almost always less dense than the liquid away from the solidification front. As a result, convective instability is expected. Ground based testing has indicated that convection is a major problem in these alloy systems and leads to gross compositional variations along the sample and difficulties maintaining interface stability. Sustained low gravity processing conditions are necessary in order to minimize these problems and obtain solidification conditions which approach steady state.

Tuning the Hydrogen Storage in Magnesium Alloys

NASA Astrophysics Data System (ADS)

Er, Suleyman; de Wijs, Gilles A.; Brocks, Geert

2011-03-01

We investigate the hydrogen storage properties of promising magnesium alloys. Mg H2 (7.6 wt % H) would be a very useful storage material if the (de)hydrogenation kinetics can be improved and the desorption temperature is markedly lowered. Using first principles calculations, we show that hydrides of Mg-transition metal (TM) alloys adopt a structure that promotes faster (de)hydrogenation kinetics, as is also observed in experiment. Within the lightweight TMs, the most promising alloying element is titanium. Alloying Mg with Ti alone, however, is not sufficient to decrease the stability of the hydride phases, which is necessary to reduce the hydrogen desorption temperature. We find that adding aluminium or silicon markedly destabilizes Mg-Ti hydrides and stabilizes Mg-Ti alloys. Finally, we show that controlling the structure of Mg-Ti-Al(Si) system by growing it as multilayers, has a beneficial influence on the thermodynamic properties and makes it a stronger candidate for hydrogen storage.

Capacity retention in hydrogen storage alloys

NASA Technical Reports Server (NTRS)

Anani, A.; Visintin, A.; Srinivasan, S.; Appleby, A. J.; Reilly, J. J.; Johnson, J. R.

1992-01-01

Results of our examination of the properties of several candidate materials for hydrogen storage electrodes and their relation to the decrease in H-storage capacity upon open-circuit storage over time are reported. In some of the alloy samples examined to date, only about 10 percent of the hydrogen capacity was lost upon storage for 20 days, while in others, this number was as high as 30 percent for the same period of time. This loss in capacity is attributed to two separate mechanisms: (1) hydrogen desorbed from the electrode due to pressure differences between the cell and the electrode sample; and (2) chemical and/or electrochemical degradation of the alloy electrode upon exposure to the cell environment. The former process is a direct consequence of the equilibrium dissociation pressure of the hydride alloy phase and the partial pressure of hydrogen in the hydride phase in equilibrium with that in the electrolyte environment, while the latter is related to the stability of the alloy phase in the cell environment. Comparison of the equilibrium gas-phase dissociation pressures of these alloys indicate that reversible loss of hydrogen capacity is higher in alloys with P(eqm) greater than 1 atm than in those with P(eqm) less than 1 atm.

First-principles prediction of stabilities and instabilities of compounds and alloys in the ternary B-As-P system

NASA Astrophysics Data System (ADS)

Ektarawong, A.; Simak, S. I.; Alling, B.

2017-07-01

We examine the thermodynamic stability of compounds and alloys in the ternary B-As-P system theoretically using first-principles calculations. We demonstrate that the icosahedral B12As2 is the only stable compound in the binary B-As system, while the zinc-blende BAs is thermodynamically unstable with respect to B12As2 and the pure arsenic phase at 0 K, and increasingly so at higher temperature, suggesting that BAs may merely exist as a metastable phase. On the contrary, in the binary B-P system, both zinc-blende BP and icosahedral B12P2 are predicted to be stable. As for the binary As-P system, As1 -xPx disordered alloys are predicted at elevated temperature—for example, a disordered solid solution of up to ˜75 at.% As in black phosphorus as well as a small solubility of ˜1 at.% P in gray arsenic at T =750 K, together with the presence of miscibility gaps. The calculated large solubility of As in black phosphorus explains the experimental syntheses of black-phosphorus-type As1 -xPx alloys with tunable compositions, recently reported in the literature. We investigate the phase stabilities in the ternary B-As-P system and demonstrate a high tendency for a formation of alloys in the icosahedral B12(As1 -xPx )2 structure by intermixing of As and P atoms at the diatomic chain sites. The phase diagram displays noticeable mutual solubility of the icosahedral subpnictides in each other even at room temperature as well as a closure of a pseudobinary miscibility gap around 900 K. As for pseudobinary BAs1 -xPx alloys, only a tiny amount of BAs is predicted to be able to dissolve in BP to form the BAs1 -xPx disordered alloys at elevated temperature. For example, less than 5% of BAs can dissolve in BP at T =1000 K. The small solubility limit of BAs in BP is attributed to the thermodynamic instability of BAs with respect to B12As2 and As.

Cu assisted stabilization and nucleation of L1 2 precipitates in Al 0.3 CuFeCrNi 2 fcc-based high entropy alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gwalani, B.; Choudhuri, D.; Soni, V.

2017-05-01

A detailed investigation of precipitation of the ordered L12 (γ’) phase in a Al0.3CrCuFeNi2 high entropy alloy (HEA), more generally referred to as a complex concentrated alloy (CCA), reveals the role of copper (Cu) on stabilization and precipitation of the ordered L12 ( γ’) phase. Detailed characterization via coupling of scanning and transmission electron microscopy, and atom probe tomography revealed novel insights into Cu clustering within the face-centered cubic matrix of this HEA, leading to heterogeneous nucleation sites for the γ’ precipitates. The subsequent partitioning of Cu into the γ’ precipitates indicates their stabilization is due to Cu addition. Themore » γ’ order-disorder transition temperature was determined to be ~930 _C in this alloy, based on synchrotron diffraction experiments, involving in situ annealing. The growth and high temperature stability of the γ’ precipitates was also confirmed via systematic scanning electron microscopy investigations of samples annealed at temperatures in the range of 700-900 oC. The role of Cu revealed by this study can be employed in the design of precipitation strengthened HEAs, as well as in a more general sense applied to other types of superalloys, with the objective of potentially enhancing their mechanical properties at room and elevated temperatures« less

Microstructure and Thermal Stability of A357 Alloy With and Without the Addition of Zr

NASA Astrophysics Data System (ADS)

Tzeng, Yu-Chih; Chengn, Vun-Shing; Nieh, Jo-Kuang; Bor, Hui-Yun; Lee, Sheng-Long

2017-11-01

The principal purpose of this research was to evaluate the effects of Zr on the microstructure and thermal stability of an A357 alloy that has been subjected to an aging treatment (T6) and thermal exposure (250 °C). The results show that the addition of Zr had a significant influence on the refinement of the grain size, which enhanced the hardness and tensile strength of the A357 alloy under the T6 condition. During thermal exposure at 250 °C, the rodlike metastable β'-Mg2Si precipitates transformed into coarse equilibrium phase β-Mg2Si precipitates, resulting in a significant drop in the hardness and tensile strength of the T6 heat-treated A357 alloy. However, after thermal exposure, coherent, finely dispersed Al3Zr precipitates were found to be formed in the T6 heat-treated A357 alloy. The addition of 0.1% Zr played a critical role in improving the high-temperature strength. Consequently, the A357 alloy with the addition of Zr demonstrated better mechanical properties at room temperature and high temperature than the alloy without Zr, in terms of both microstructure and thermal stability.

Characterization of novel microstructures in Al-Fe-V-Si and Al-Fe-V-Si-Y alloys processed at intermediate cooling rates

NASA Astrophysics Data System (ADS)

Marshall, Ryan

Samples of an Al-Fe-V-Si alloy with and without small Y additions were prepared by copper wedge-mold casting. Analysis of the microstructures developed at intermediate cooling rates revealed the formation of an atypical morphology of the cubic alpha-Al12(Fe/V)3Si phase (Im 3 space group with a = 1.26 nm) in the form of a microeutectic with alpha-Al that forms in relatively thick sections. This structure was determined to exhibit promising hardness and thermal stability when compared to the commercial rapidly solidified and processed Al-Fe-V-Si (RS8009) alloy. In addition, convergent beam electron diffraction (CBED) and selected area electron diffraction (SAD) were used to characterize a competing intermetallic phase, namely, a hexagonal phase identified as h-AlFeSi (P6/mmm space group with a = 2.45 nm c = 1.25 nm) with evidence of a structural relationship to the icosahedral quasicrystalline (QC) phase (it is a QC approximant) and a further relationship to the more desirable alpha-Al12(Fe/V) 3Si phase, which is also a QC approximant. The analysis confirmed the findings of earlier studies in this system, which suggested the same structural relationships using different methods. As will be shown, both phases form across a range of cooling rates and appear to have good thermal stabilities. Additions of Y to the alloy were also studied and found to cause the formation of primary YV2Al20 particles on the order of 1 microm in diameter distributed throughout the microstructure, which otherwise appeared essentially identical to that of the Y-free 8009 alloy. The implications of these results on the possible development of these structures will be discussed in some detail.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tucker, J. D.; Miller, M. K.; Young, G. A.

Duplex stainless steels are desirable for use in power generation systems due to their attractive combination of strength, corrosion resistance, and cost. However, thermal embrittlement at intermediate homologous temperatures of ~887°F (475°C) and below, via spinodal decomposition, limits upper service temperatures for many applications. New lean grade duplex alloys have improved thermal stability over standard grades and potentially increase the upper service temperature or the lifetime at a given temperature for this class of material. The present work compares the thermal stability of lean grade, alloy 2003 to standard grade, alloy 2205, through a series of isothermal agings between 500°Fmore » (260°C) and 900°F (482°C) for times between 1 and 10,000 hours. Aged samples were characterized by changes in microhardness and impact toughness. Additionally, atom probe tomography was performed to illustrate the evolution of the α-α' phase separation in both alloys at select conditions. Atom probe tomography confirmed that phase separation occurs via spinodal decomposition for both alloys and identified the formation of Ni-Cu-Si-Mn-P clusters in alloy 2205 that may contribute to embrittlement of this alloy. The impact toughness model predictions for upper service temperature show that alloy 2003 can be considered for use in 550°F applications for 80 year service lifetimes based on a Charpy V-notch criteria of 35 ft-lbs at 70°F. Alloy 2205 should be limited to 500°F applications.« less

Hydrogen enhances strength and ductility of an equiatomic high-entropy alloy.

PubMed

Luo, Hong; Li, Zhiming; Raabe, Dierk

2017-08-29

Metals are key materials for modern manufacturing and infrastructures as well as transpot and energy solutions owing to their strength and formability. These properties can severely deteriorate when they contain hydrogen, leading to unpredictable failure, an effect called hydrogen embrittlement. Here we report that hydrogen in an equiatomic CoCrFeMnNi high-entropy alloy (HEA) leads not to catastrophic weakening, but instead increases both, its strength and ductility. While HEAs originally aimed at entropy-driven phase stabilization, hydrogen blending acts opposite as it reduces phase stability. This effect, quantified by the alloy's stacking fault energy, enables nanotwinning which increases the material's work-hardening. These results turn a bane into a boon: hydrogen does not generally act as a harmful impurity, but can be utilized for tuning beneficial hardening mechanisms. This opens new pathways for the design of strong, ductile, and hydrogen tolerant materials.

Fine structure of Fe-Co-Ga and Fe-Cr-Ga alloys with low Ga content

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kleinerman, Nadezhda M., E-mail: kleinerman@imp.uran.ru; Serikov, Vadim V., E-mail: kleinerman@imp.uran.ru; Vershinin, Aleksandr V., E-mail: kleinerman@imp.uran.ru

2014-10-27

Investigation of Ga influence on the structure of Fe-Cr and Fe-Co alloys was performed with the use of {sup 57}Fe Mössbauer spectroscopy and X-ray diffraction methods. In the alloys of the Fe-Cr system, doping with Ga handicaps the decomposition of solid solutions, observed in the binary alloys, and increases its stability. In the alloys with Co, Ga also favors the uniformity of solid solutions. The analysis of Mössbauer experiments gives some grounds to conclude that if, owing to liquation, clusterization, or initial stages of phase separation, there exist regions enriched in iron, some amount of Ga atoms prefer to entermore » the nearest surroundings of iron atoms, thus forming binary Fe-Ga regions (or phases)« less

Study on biodegradation of the second phase Mg17Al12 in Mg-Al-Zn alloys: in vitro experiment and thermodynamic calculation.

PubMed

Liu, Chen; Yang, Huazhe; Wan, Peng; Wang, Kehong; Tan, Lili; Yang, Ke

2014-02-01

The in vitro biodegradation behavior of Mg17Al12 as a second phase in Mg-Al-Zn alloys was investigated via electrochemical measurement and immersion test. The Hank's solutions with neutral and acidic pH values were adopted as electrolytes to simulate the in vivo environment during normal and inflammatory response process. Furthermore, the local orbital density functional theory approach was employed to study the thermodynamical stability of Mg17Al12 phase. All the results proved the occurrence of pitting corrosion process with crackings for Mg17Al12 phase in Hank's solution, but with a much lower degradation rate compared with both AZ31 alloy and pure magnesium. Furthermore, a preliminary explanation on the biodegradation behaviors of Mg17Al12 phase was proposed. © 2013.

Development of powder metallurgy Al alloys for high temperature aircraft structural applications, phase 2

NASA Technical Reports Server (NTRS)

Chellman, D. J.

1982-01-01

In this continuing study, the development of mechanically alloyed heat resistant aluminum alloys for aircraft were studied to develop higher strength targets and higher service temperatures. The use of higher alloy additions to MA Al-Fe-Co alloys, employment of prealloyed starting materials, and higher extrusion temperatures were investigated. While the MA Al-Fe-Co alloys exhibited good retention of strength and ductility properties at elevated temperatures and excellent stability of properties after 1000 hour exposure at elevated temperatures, a sensitivity of this system to low extrusion strain rates adversely affected the level of strength achieved. MA alloys in the Al-Li family showed excellent notched toughness and property stability after long time exposures at elevated temperatures. A loss of Li during processing and the higher extrusion temperature 482 K (900 F) resulted in low mechanical strengths. Subsequent hot and cold working of the MA Al-Li had only a mild influence on properties.

Occurence and prediction of sigma phase in fuel cladding alloys for breeder reactors. [LMFBR

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anantatmula, R.P.

1982-01-01

In sodium-cooled fast reactor systems, fuel cladding materials will be exposed for several thousand hours to liquid sodium. Satisfactory performance of the materials depends in part on the sodium compatibility and phase stability of the materials. This paper mainly deals with the phase stability aspect, with particular emphasis on sigma phase formation of the cladding materials upon extended exposures to liquid sodium. A new method of predicting sigma phase formation is proposed for austenitic stainless steels and predictions are compared with the experimental results on fuel cladding materials. Excellent agreement is obtained between theory and experiment. The new method ismore » different from the empirical methods suggested for superalloys and does not suffer from the same drawbacks. The present method uses the Fe-Cr-Ni ternary phase diagram for predicting the sigma-forming tendencies and exhibits a wide range of applicability to austenitic stainless steels and heat-resistant Fe-Cr-Ni alloys.« less

Effect of Co on Discontinuous Precipitation Transformation with TCP Phase in Ni-based Alloy Containing Re

NASA Astrophysics Data System (ADS)

Shi, Qianying; An, Ning; Huo, Jiajie; Zheng, Yunrong; Feng, Qiang

2017-05-01

The effect of Co on discontinuous precipitation (DP) transformation involving the formation of topologically close-packed (TCP) phase was investigated in three Ni-Cr-Re model alloys containing different levels of Co. One typical TCP phase, σ, was generated within DP cellular colonies along the migrating grain boundaries in experimental alloys during aging treatment. As a result of the increased solubility of Re in the γ matrix and enlarged interlamellar spacing of σ precipitates inside of growing DP colonies, Co addition suppressed the formation of σ phase and associated DP colonies. This study suggests that Co could potentially serve as a microstructural stabilizer in Re-containing Ni-base superalloys, which provides an alternative method for the composition optimization of superalloys.

Phase stability and microstructures of high entropy alloys ion irradiated to high doses

NASA Astrophysics Data System (ADS)

Xia, Songqin; Gao, Michael C.; Yang, Tengfei; Liaw, Peter K.; Zhang, Yong

2016-11-01

The microstructures of AlxCoCrFeNi (x = 0.1, 0.75 and 1.5 in molar ratio) high entropy alloys (HEAs) irradiated at room temperature with 3 MeV Au ions at the highest fluence of 105, 91, and 81 displacement per atom, respectively, were studied. Transmission electron microscopy (TEM) and high-resolution TEM (HRTEM) analyses show that the initial microstructures and phase composition of all three alloys are retained after ion irradiation and no phase decomposition is observed. Furthermore, it is demonstrated that the disordered face-centered cubic (FCC) and disordered body-centered cubic (BCC) phases show much less defect cluster formation and structural damage than the NiAl-type ordered B2 phase. This effect is explained by higher entropy of mixing, higher defect formation/migration energies, substantially lower thermal conductivity, and higher atomic level stress in the disordered phases.

Design of Modern High Nb-Content gamma-gamma' Ni-Base Superalloys

NASA Astrophysics Data System (ADS)

Antonov, Stoichko

Certain elemental additions to Ni-base superalloys can significantly improve properties when added in high contents, but can quickly deteriorate the high temperature structural integrity and stability of the alloy, when solubility limits are exceeded and secondary phases are formed. Improved understanding of solubility limits of various elements in high refractory content Ni-base supralloys is therefore essential to improved alloy design. The morphology, formation, and composition of precipitate phases in a number of experimental alloys spanning a broad range of compositions were explored and compositional relationships were developed. The effect of increasing Nb alloying additions on formation and long term stability of topologically close packed (TCP) phases, as well as assessment of grain boundary phase compositions and local segregation along it before and after a 1000 hour thermal exposure at 800°C, was studied via electron microscopy and atom probe tomography (APT). Beneficial secondary phase precipitation, such as carbides and borides, was also studied through B, Hf and C doping. Elemental boron was observed to segregate to the grain boundary and phase interfaces, but did not form borides. APT studies on MC carbides of the alloys revealed the formation kinetics and morphological differences between NbC and Hf doped NbC, which were further explained using density functional theory (DFT) calculations of the formation energies of different facets of the MC carbide. Detailed electron microscopy and APT techniques were then used to systematically quantify the chemical and morphological instabilities that occur during aging of polycrystalline γ-γ' Ni-base superalloys containing elevated levels of refractory alloying additions. The morphological changes and splitting phenomenon associated with the secondary γ' precipitates were related to the discrete chemical compositions of the secondary and tertiary γ' along with the phase compositions of the γ matrix and the γ precipitates that form within the secondary γ' particles. In addition, compositions of the constituent phases were measured in four high Nb-content γ-γ' Ni-base superalloys and the results were compared to thermodynamic database models from Thermo-Calc. Results were also used to predict the solid solution strength behavior of the four alloys. Finally, creep behavior of high Nb-content γ-γ' Ni-Based superalloys was related to the formation of secondary phases mainly at grain boundaries. As secondary phases form, their brittle nature leads to crack formation, which can propagate under the tensile load and lead to premature failure of the alloy.

Improved phase stability of formamidinium lead triiodide perovskite by strain relaxation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zheng, Xiaojia; Wu, Congcong; Jha, Shikhar K.

2016-10-18

Though formamidinium lead triiodide (FAPbI 3) possesses a suitable band gap and good thermal stability, the phase transition from the pure black perovskite phase (α-phase) to the undesirable yellow nonperovskite polymorph (δ-phase) at room temperature, especially under humid air, hinders its practical application. Here, we investigate the intrinsic instability mechanism of the α-phase at ambient temperature and demonstrate the existence of an anisotropic strained lattice in the (111) plane that drives phase transformation into the δ-phase. Methylammonium bromide (MABr) alloying (or FAPbI 3-MABr) was found to cause lattice contraction, thereby balancing the lattice strain. This led to dramatic improvement inmore » the stability of α-FAPbI 3. As a result, solar cells fabricated using FAPbI 3-MABr demonstrated significantly enhanced stability under the humid air.« less

Micro-structural study and Rietveld analysis of fast reactor fuels: U-Mo fuels

NASA Astrophysics Data System (ADS)

Chakraborty, S.; Choudhuri, G.; Banerjee, J.; Agarwal, Renu; Khan, K. B.; Kumar, Arun

2015-12-01

U-Mo alloys are the candidate fuels for both research reactors and fast breeder reactors. In-reactor performance of the fuel depends on the microstructural stability and thermal properties of the fuel. To improve the fuel performance, alloying elements viz. Zr, Mo, Nb, Ti and fissium are added in the fuel. The first reactor fuels are normally prepared by injection casting. The objective of this work is to compare microstructure, phase-fields and hardness of as-cast four different U-Mo alloy (2, 5, 10 and 33 at.% Mo) fuels with the equilibrium microstructure of the alloys. Scanning electron microscope with energy dispersive spectrometer and optical microscope have been used to characterize the morphology of the as-cast and annealed alloys. The monoclinic α'' phase in as-cast U-10 at.% Mo alloy has been characterized through Rietveld analysis. A comparison of metallographic and Rietveld analysis of as-cast (dendritic microstructure) and annealed U-33 at.% Mo alloy, corresponding to intermetallic compound, has been reported here for the first time. This study will provide in depth understanding of microstructural and phase evolution of U-Mo alloys as fast reactor fuel.

Synthesis of a single phase of high-entropy Laves intermetallics in the Ti-Zr-V-Cr-Ni equiatomic alloy

NASA Astrophysics Data System (ADS)

Yadav, T. P.; Mukhopadhyay, Semanti; Mishra, S. S.; Mukhopadhyay, N. K.; Srivastava, O. N.

2017-12-01

The high-entropy Ti-Zr-V-Cr-Ni (20 at% each) alloy consisting of all five hydride-forming elements was successfully synthesised by the conventional melting and casting as well as by the melt-spinning technique. The as-cast alloy consists entirely of the micron size hexagonal Laves Phase of C14 type; whereas, the melt-spun ribbon exhibits the evolution of nanocrystalline Laves phase. There was no evidence of any amorphous or any other metastable phases in the present processing condition. This is the first report of synthesising a single phase of high-entropy complex intermetallic compound in the equiatomic quinary alloy system. The detailed characterisation by X-ray diffraction, scanning and transmission electron microscopy and energy-dispersive X-ray spectroscopy confirmed the existence of a single-phase multi-component hexagonal C14-type Laves phase in all the as-cast, melt-spun and annealed alloys. The lattice parameter a = 5.08 Å and c = 8.41 Å was determined from the annealed material (annealing at 1173 K). The thermodynamic calculations following the Miedema's approach support the stability of the high-entropy multi-component Laves phase compared to that of the solid solution or glassy phases. The high hardness value (8.92 GPa at 25 g load) has been observed in nanocrystalline high-entropy alloy ribbon without any cracking. It implies that high-yield strength ( 3.00 GPa) and the reasonable fracture toughness can be achieved in this high-entropy material.

Computational Design and Discovery of Ni-Based Alloys and Coatings: Thermodynamic Approaches Validated by Experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Zi-Kui; Gleeson, Brian; Shang, Shunli

This project developed computational tools that can complement and support experimental efforts in order to enable discovery and more efficient development of Ni-base structural materials and coatings. The project goal was reached through an integrated computation-predictive and experimental-validation approach, including first-principles calculations, thermodynamic CALPHAD (CALculation of PHAse Diagram), and experimental investigations on compositions relevant to Ni-base superalloys and coatings in terms of oxide layer growth and microstructure stabilities. The developed description included composition ranges typical for coating alloys and, hence, allow for prediction of thermodynamic properties for these material systems. The calculation of phase compositions, phase fraction, and phase stabilities,more » which are directly related to properties such as ductility and strength, was a valuable contribution, along with the collection of computational tools that are required to meet the increasing demands for strong, ductile and environmentally-protective coatings. Specifically, a suitable thermodynamic description for the Ni-Al-Cr-Co-Si-Hf-Y system was developed for bulk alloy and coating compositions. Experiments were performed to validate and refine the thermodynamics from the CALPHAD modeling approach. Additionally, alloys produced using predictions from the current computational models were studied in terms of their oxidation performance. Finally, results obtained from experiments aided in the development of a thermodynamic modeling automation tool called ESPEI/pycalphad - for more rapid discovery and development of new materials.« less

Diffraction, microstructure and thermal stability analysis in a double phase nanocrystalline Al20Mg20Ni20Cr20Ti20 high entropy alloy

NASA Astrophysics Data System (ADS)

Rameshbabu, A. M.; Parameswaran, P.; Vijayan, V.; Panneer, R.

2017-12-01

An effort has been made to develop a new composition of AlMgNiCrTi high entropy alloy (HEA) with a distinct properties includes squat density, intense strength and hardness, superior corrosion resistance, better oxidation resistance, high temperature resistance, fatigue load and crack resistance to congregate the necessity of aircraft applications. The equivalent atomic percentage for the above defined composition is established using analytical correlation for molar and atom renovation by trial and error method. The alloy is synthesized by powder metallurgy technique through mechanical alloying. Succeeding to mechanical alloying it is elucidated that the metal powder is primarily composed of single BCC solid solution with crystallite magnitude <10 nm. It is also observed that the alloy is thermally stable at prominent temperature about 800°C as it is retained its nanostructure which was revealed using differential scanning caloriemetry (DSC). This alloy powder was consolidated and sintered using spark plasma sintering at 800°C with 50 Mpa pressure to a density of 98.83%. Subsequent to sintering, Titanium carbide FCC phase evolved along with the BCC phase. The alloying behavior and phase transformation were studied using X-ray diffraction (XRD) and scanning electron microscope (SEM). The homogeneity of the composition is confirmed by energy dispersive spectroscopy (EDS). The hardness of the alloy is found to be 710±20 HV. The evolutions of the phases and hardness imply that this alloy is apposite for both high strength and high temperature applications.

US-RERTR Advanced Fuel Development Plans : 1999.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meyer, M. K.

1998-10-22

Twelve fuel alloys were included in the very-high-density RERTR-1 and RERTR-2 microplate irradiation experiments. Experience gained during fabrication and results from the post-irradiation examination of these fuels has allowed us to narrow the focus of our fuel development efforts in preparation for the next set of irradiation experiments. Specific technical problems in both the areas of fuel fabrication and irradiation performance remain to be addressed. Examples of these are powder fabrication, fuel phase gamma stability versus density, and fuel-matrix interaction. In order to more efficiently address metal alloy fuel performance issues, work will continue on establishing a theoretical basis formore » alloy stability and metal alloy dispersion fuel irradiation performance. Plans to address these fuel development issues in the coming year will be presented.« less

First principles study on Fe based ferromagnetic quaternary Heusler alloys

NASA Astrophysics Data System (ADS)

Amudhavalli, A.; Rajeswarapalanichamy, R.; Iyakutti, K.

2017-11-01

The study of stable half-metallic ferromagnetic materials is important from various fundamental and application points of view in condensed matter Physics. Structural phase stability, electronic structure, mechanical and magnetic properties of Fe-based quaternary Heusler alloys XX‧YZ (X = Co, Ni; X‧ = Fe; Y = Ti; Z = Si, Ge, As) for three different phases namely α, β and γ phases of LiMgPdSn crystal structure have been studied by density functional theory with generalized gradient approximation formulated by Perdew, Burke and Ernzerhof (GGA-PBE) and the Hubbard formalism (GGA-PBE + U). This work aims to identify the ferromagnetic and half-metallic properties of XX‧YZ (X = Co, Ni, X‧ = Fe; Y = Ti; Z = Si, Ge, As) quaternary Heusler alloys. The predicted phase stability shows that α-phase is found to be the lowest energy phase at ambient pressure. A pressure-induced structural phase transition is observed in CoFeTiSi, CoFeTiGe, CoFeTiAs, NiFeTiSi, NiFeTiGe and NiFeTiAs at the pressures of 151.6 GPa, 33.7 GPa, 76.4 GPa, 85.3 GPa, 87.7 GPa and 96.5 GPa respectively. The electronic structure reveals that these materials are half metals at normal pressure whereas metals at high pressure. The investigation of electronic structure and magnetic properties are performed to reveal the underlying mechanism of half metallicity. The spin polarized calculations concede that these quaternary Heusler compounds may exhibit the potential candidate in spintronics application. The magnetic moments for these quaternary Heusler alloys in all the three different phases (α, β and γ) are estimated.

Effects of Palladium Content, Quaternary Alloying, and Thermomechanical Processing on the Behavior of Ni-Ti-Pd Shape Memory Alloys for Actuator Applications

NASA Technical Reports Server (NTRS)

Bigelow, Glen

2008-01-01

The need for compact, solid-state actuation systems for use in the aerospace, automotive, and other transportation industries is currently driving research in high-temperature shape memory alloys (HTSMA) having transformation temperatures above 100 C. One of the basic high temperature systems under investigation to fill this need is NiTiPd. Prior work on this alloy system has focused on phase transformations and respective temperatures, no-load shape memory behavior (strain recovery), and tensile behavior for selected alloys. In addition, a few tests have been done to determine the effect of boron additions and thermomechanical treatment on the aforementioned properties. The main properties that affect the performance of a solid state actuator, namely work output, transformation strain, and permanent deformation during thermal cycling under load have mainly been neglected. There is also no consistent data representing the mechanical behavior of this alloy system over a broad range of compositions. For this thesis, ternary NiTiPd alloys containing 15 to 46 at.% palladium were processed and the transformation temperatures, basic tensile properties, and work characteristics determined. However, testing reveals that at higher levels of alloying addition, the benefit of increased transformation temperature begins to be offset by lowered work output and permanent deformation or "walking" of the alloy during thermal cycling under load. In response to this dilemma, NiTiPd alloys have been further alloyed with gold, platinum, and hafnium additions to solid solution strengthen the martensite and parent austenite phases in order to improve the thermomechanical behavior of these materials. The tensile properties, work behavior, and dimensional stability during repeated thermal cycling under load for the ternary and quaternary alloys were compared and discussed. In addition, the benefits of more advanced thermomechanical processing or training on the dimensional stability of these alloys during repeated actuation were investigated. Finally, the effect of quaternary alloying on the thermal stability of NiTiPdX alloys is determined via thermal cycling of the materials to increasing temperatures under load. It was found that solid solution additions of platinum and gold resulted in about a 30 C increase in upper use temperature compared to the baseline NiTiPd alloy, providing an added measure of over-temperature protection.

A systematic plan for the continued study of dimensional stability of metallic alloys considered for the fabrication of cryogenic wind tunnel models

NASA Technical Reports Server (NTRS)

Wigley, D. A.

1985-01-01

Interrelated research and development activities, phased development of stepped specimen program are documented and a sequence for a specific program of machining, validation and heat treatment cycles for one material are described. Proposed work for the next phase of dimensional stability research is presented and further technology development activities are proposed.

Stability Study of the RERTR Fuel Microstructure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jian Gan; Dennis Keiser; Brandon Miller

2014-04-01

The irradiation stability of the interaction phases at the interface of fuel and Al alloy matrix as well as the stability of the fission gas bubble superlattice is believed to be very important to the U-Mo fuel performance. In this paper the recent result from TEM characterization of Kr ion irradiated U-10Mo-5Zr alloy will be discussed. The focus will be on the phase stability of Mo2-Zr, a dominated second phase developed at the interface of U-10Mo and the Zr barrier in a monolithic fuel plate from fuel fabrication. The Kr ion irradiations were conducted at a temperature of 200 degreesmore » C to an ion fluence of 2.0E+16 ions/cm2. To investigate the thermal stability of the fission gas bubble superlattice, a key microstructural feature in both irradiated dispersion U-7Mo fuel and monolithic U-10Mo fuel, a FIB-TEM sample of the irradiated U-10Mo fuel (3.53E+21 fission/cm3) was used for a TEM in-situ heating experiment. The preliminary result showed extraordinary thermal stability of the fission gas bubble superlattice. The implication of the TEM observation from these two experiments on the fuel microstructural evolution under irradiation will be discussed.« less

Microalloying Ultrafine Grained Al Alloys with Enhanced Ductility

PubMed Central

Jiang, L.; Li, J. K.; Cheng, P. M.; Liu, G.; Wang, R. H.; Chen, B. A.; Zhang, J. Y.; Sun, J.; Yang, M. X.; Yang, G.

2014-01-01

Bulk ultrafine grained (UFG)/nanocrystal metals possess exceptional strength but normally poor ductility and thermal stability, which hinder their practical applications especially in high-temperature environments. Through microalloying strategy that enables the control of grains and precipitations in nanostructured regime, here we design and successfully produce a highly microstructure-stable UFG Al-Cu-Sc alloy with ~275% increment in ductility and simultaneously ~50% enhancement in yield strength compared with its Sc-free counterpart. Although the precipitations in UFG alloys are usually preferentially occurred at grain boundaries even at room temperature, minor Sc addition into the UFG Al-Cu alloys is found to effectively stabilize the as-processed microstructure, strongly suppress the θ-Al2Cu phase precipitation at grain boundary, and remarkably promote the θ′-Al2Cu nanoparticles dispersed in the grain interior in artificial aging. A similar microalloying strategy is expected to be equally effective for other UFG heat-treatable alloys. PMID:24398915

Deformation and fracture behavior of titanium-aluminum-niobium-(chromium,molybdenum) alloys with a gamma+sigma microstructure at ambient temperature

NASA Astrophysics Data System (ADS)

Kesler, Michael Steiner

Titanium aluminides are of interest as a candidate material for aerospace turbine applications due to their high strength to weight ratio. gamma-TiAl + alpha2-Ti3Al alloys have recently been incorporated in the low pressure turbine region but their loss of strength near 750C limits their high temperature use. Additions of Nb have been shown to have several beneficial effects in gamma+alpha2 alloys, including enhancements in strength and ductility of the gamma-phase, along with the stabilization of the cubic BCC beta-phase at forging temperatures allowing for thermomechanical processing. In the ternary Ti-Al-Nb system at high Nb-contents above approximately 10at%, there exists a two-phase gamma-TiAl + sigma-Nb2Al region at and above current service temperature for the target application. Limited research has been conducted on the mechanical properties of alloys with this microstructure, though they have demonstrated excellent high temperature strength, superior to that of gamma+alpha2 alloys. Because the sigma-phase does not deform at room temperature, high volume fractions of this phase result in poor toughness and no tensile elongation. Controlling the microstructural morphology by disconnecting the brittle matrix through heat treatments has improved the toughness at room temperature. In this study, attempts to further improve the mechanical properties of these alloys were undertaken by reducing the volume fraction of the sigma-phase and controlling the scale of the gamma+sigma microstructure through the aging of a meta-stable parent phase, the beta- phase, that was quenched-in to room temperature. Additions of beta-stabilizing elements, Cr and Mo, were needed in order to quench-in the beta-phase. The room temperature mechanical properties were evaluated by compression, Vickers' indentation and single edge notch bend tests at room temperature. The formation of the large gamma-laths at prior beta- phase grain boundaries was found to be detrimental to ductility due to strain localization in this coarsened region of the microstructure. Furthermore, samples aged from beta- phase single crystals proved to have excellent combinations of strength and ductility under compression. In the single crystals, microcracking did not develop until much larger plastic strains were reached. Lowering the volume fraction of the sigma-phase proved to enhance the fracture toughness in these alloys. (Full text of this dissertation may be available via the University of Florida Libraries web site. Please check http://www.uflib.ufl.edu/etd.html)

Cerium Addition Improved the Dry Sliding Wear Resistance of Surface Welding AZ91 Alloy

PubMed Central

Zhao, Zhihao; Zhu, Qingfeng; Wang, Gaosong; Tao, Kai

2018-01-01

In this study, the effects of cerium (Ce) addition on the friction and wear properties of surface welding AZ91 magnesium alloys were evaluated by pin-on-disk dry sliding friction and wear tests at normal temperature. The results show that both the friction coefficient and wear rate of surfacing magnesium alloys decreased with the decrease in load and increase in sliding speed. The surfacing AZ91 alloy with 1.5% Ce had the lowest friction coefficient and wear rate. The alloy without Ce had the worst wear resistance, mainly because it contained a lot of irregularly shaped and coarse β-Mg17Al12 phases. During friction, the β phase readily caused stress concentration and thus formed cracks at the interface between β phase and α-Mg matrix. The addition of Ce reduced the size and amount of Mg17Al12, while generating Al4Ce phase with a higher thermal stability. The Al-Ce phase could hinder the grain-boundary sliding and migration and reduced the degree of plastic deformation of subsurface metal. Scanning electron microscopy observation showed that the surfacing AZ91 alloy with 1.5% Ce had a total of four types of wear mechanism: abrasion, oxidation, and severe plastic deformation were the primary mechanisms; delamination was the secondary mechanism. PMID:29415492

Influence of Annealing on Microstructure and Mechanical Properties of Refractory CoCrMoNbTi0.4 High-Entropy Alloy

NASA Astrophysics Data System (ADS)

Zhang, Mina; Zhou, Xianglin; Zhu, Wuzhi; Li, Jinghao

2018-04-01

A novel refractory CoCrMoNbTi0.4 high-entropy alloy (HEA) was prepared via vacuum arc melting. After annealing treatment at different temperatures, the microstructure evolution, phase stability, and mechanical properties of the alloy were investigated. The alloy was composed of two primary body-centered cubic structures (BCC1 and BCC2) and a small amount of (Co, Cr)2Nb-type Laves phase under different annealing conditions. The microhardness and compressive strength of the heat-treated alloy was significantly enhanced by the solid-solution strengthening of the BCC phase matrix and newborn Laves phase. Especially, the alloy annealed at 1473 K (1200 °C) achieved the maximum hardness and compressive strength values of 959 ± 2 HV0.5 and 1790 MPa, respectively, owing to the enhanced volume fraction of the dispersed Laves phase. In particular, the HEAs exhibited promising high-temperature mechanical performance, when heated to an elevated temperature of 1473 K (1200 °C), with a compressive fracture strength higher than 580 MPa without fracture at a strain of more than 20 pct. This study suggests that the present refractory HEAs have immense potential for engineering applications as a new class of high-temperature structural materials.

Computer Aided Design of Ni-Based Single Crystal Superalloy for Industrial Gas Turbine Blades

NASA Astrophysics Data System (ADS)

Wei, Xianping; Gong, Xiufang; Yang, Gongxian; Wang, Haiwei; Li, Haisong; Chen, Xueda; Gao, Zhenhuan; Xu, Yongfeng; Yang, Ming

The influence of molybdenum, tungsten and cobalt on stress-rupture properties of single crystal superalloy PWA1483 has been investigated using the simulated calculation of JMatPro software which ha s been widely used to develop single crystal superalloy, and the effect of alloying element on the stability of strengthening phase has been revealed by using the Thermo-Calc software. Those properties calculation results showed that the increasing of alloy content could facilitate the precipitation of TCP phases and increase the lattice misfit between γ and γ' phase, and the effect of molybdenum, tantalum was the strongest and that of cobalt was the weakest. Then the chemical composition was optimized, and the selected compositions showed excellent microstructure stability and stress-rupture properties by the confirmation of d-electrons concept and software calculation.

Structural and ferromagnetic properties of an orthorhombic phase of MnBi stabilized with Rh additions

DOE PAGES

Taufour, Valentin; Thimmaiah, Srinivasa; March, Stephen; ...

2015-07-28

The article addresses the possibility of alloy elements in MnBi which may modify the thermodynamic stability of the NiAs-type structure without significantly degrading the magnetic properties. The addition of small amounts of Rh and Mn provides an improvement in the thermal stability with some degradation of the magnetic properties. The small amounts of Rh and Mn additions in MnBi stabilize an orthorhombic phase whose structural and magnetic properties are closely related to the ones of the previously reported high-temperature phase of MnBi (HT MnBi). The properties of the HT MnBi, which is stable between 613 and 719 K, have notmore » been studied in detail because of its transformation to the stable low-temperature MnBi (LT MnBi), making measurements near and below its Curie temperature difficult. The Rh-stabilized MnBi with chemical formula Mn 1.0625–xRh xBi [x=0.02(1)] adopts a new superstructure of the NiAs/Ni 2In structure family. It is ferromagnetic below a Curie temperature of 416 K. The critical exponents of the ferromagnetic transition are not of the mean-field type but are closer to those associated with the Ising model in three dimensions. The magnetic anisotropy is uniaxial; the anisotropy energy is rather large, and it does not increase when raising the temperature, contrary to what happens in LT MnBi. The saturation magnetization is approximately 3μB/f.u. at low temperatures. Thus, while this exact composition may not be application ready, it does show that alloying is a viable route to modifying the stability of this class of rare-earth-free magnet alloys.« less

Structural and electronic properties of Ga2O3-Al2O3 alloys

NASA Astrophysics Data System (ADS)

Peelaers, Hartwin; Varley, Joel B.; Speck, James S.; Van de Walle, Chris G.

2018-06-01

Ga2O3 is emerging as an important electronic material. Alloying with Al2O3 is a viable method to achieve carrier confinement, to increase the bandgap, or to modify the lattice parameters. However, the two materials have very different ground-state crystal structures (monoclinic β-gallia for Ga2O3 and corundum for Al2O3). Here, we use hybrid density functional theory calculations to assess the alloy stabilities and electronic properties of the alloys. We find that the monoclinic phase is the preferred structure for up to 71% Al incorporation, in close agreement with experimental phase diagrams, and that the ordered monoclinic AlGaO3 alloy is exceptionally stable. We also discuss bandgap bowing, lattice constants, and band offsets that can guide future synthesis and device design efforts.

Anomalous thermodynamic properties and phase stability of δ -Pu1 -xMx (M =Ga andAl ) alloys from first-principles calculations

NASA Astrophysics Data System (ADS)

Li, Chun-Mei; Yang, Rui; Johansson, Börje; Vitos, Levente

2016-12-01

The composition-dependent crystal structure, volume, elastic constants, and electronic structure of δ -Pu1 -xMx (M =Ga and Al,0 ≤x ≤0.1 ) alloys are systematically studied by using first-principles EMTO-CPA calculations. It is shown that the fcc and L 12 structures co-exist in the alloys with x ≤0.04 whereas for x >0.04 , the L 12 structure is more and more preferable and around x =0.1 , it tends to be stabilized alone. The evaluated V ˜x of the L 12 structure, being negative deviation from Vegard's law, turns out to be in good agreement with the experimental result. For x ≤0.04 , the estimated E , G , ν , and Θ of both the fcc and L 12 structures are in line with the measured data, whereas when x >0.04 , only those of the L 12 structure are close to the experimental results. The electronic hybridization between Pu and M atoms is dominated by Pu for the s ,d , and f states but M for the p state. The strong interactions between Pu and M atoms in the same site of the L 12 structure should be responsible for its relative stability in the alloys with x >0.04 . The electron-phonon coupling further decreases the phase stability of δ -Pu1 -xMx with increasing x .

First-principles surface interaction studies of aluminum-copper and aluminum-copper-magnesium secondary phases in aluminum alloys

NASA Astrophysics Data System (ADS)

da Silva, Thiago H.; Nelson, Eric B.; Williamson, Izaak; Efaw, Corey M.; Sapper, Erik; Hurley, Michael F.; Li, Lan

2018-05-01

First-principles density functional theory-based calculations were performed to study θ-phase Al2Cu, S-phase Al2CuMg surface stability, as well as their interactions with water molecules and chloride (Cl-) ions. These secondary phases are commonly found in aluminum-based alloys and are initiation points for localized corrosion. Density functional theory (DFT)-based simulations provide insight into the origins of localized (pitting) corrosion processes of aluminum-based alloys. For both phases studied, Cl- ions cause atomic distortions on the surface layers. The nature of the distortions could be a factor to weaken the interlayer bonds in the Al2Cu and Al2CuMg secondary phases, facilitating the corrosion process. Electronic structure calculations revealed not only electron charge transfer from Cl- ions to alloy surface but also electron sharing, suggesting ionic and covalent bonding features, respectively. The S-phase Al2CuMg structure has a more active surface than the θ-phase Al2Cu. We also found a higher tendency of formation of new species, such as Al3+, Al(OH)2+, HCl, AlCl2+, Al(OH)Cl+, and Cl2 on the S-phase Al2CuMg surface. Surface chemical reactions and resultant species present contribute to establishment of local surface chemistry that influences the corrosion behavior of aluminum alloys.

The stability of thermodynamically metastable phases in a Zr-Sn-Nb-Mo alloy: Effects of alloying elements, morphology and applied stress/strain

NASA Astrophysics Data System (ADS)

Yu, Hongbing; Yao, Zhongwen; Daymond, Mark R.

2017-09-01

In this paper, a dual phase Zr-Sn-Nb-Mb alloy was studied with TEM after thermal treatment and high-temperature tensile deformation. Plate and pressure tube material, manufactured through different processing routes, were used in this study. The overall average concentrations of Mo and Nb in the β phase are higher in the pressure tube than in the plate. It was revealed that these concentrations have significant effects on the subsequent stability of the β and ω phases as well as on the precipitation behavior of the α phase from the β phase. That is, the higher the concentrations, the more stable the β and ω phases are, and hence there is a reduced tendency for precipitation of α phase. Aging treatments cause the transformation of athermal ω to isothermal ω, as expected. The most striking finding is the product of the decomposition of the isothermal ω particles during aging treatment is determined as not being α phase, even though the structure of it is, as-yet, not fully determined. The non-uniform morphology of the β grains in the plate material provides us a unique opportunity to investigate the effects of morphology on the aging response of the β phase. It was found that thin β filaments suppress the precipitation of isothermal ω particles but enhance the precipitation of α phase at α/β interfaces. The effect of the Burgers orientation relationship between α and β grains on the precipitation of the α phase at the α/β interface is discussed. Applied high-temperature stress/strain has been found to enhance the decomposition of isothermal ω phase but suppress α precipitation inside the β grains. The suppression of α precipitation by applied stress/strain is discussed in terms of the ω assisted α precipitation. Implications of these findings for the in-service application of the alloy are discussed.

Microstructural study of the nickel-base alloy WAZ-20 using qualitative and quantitative electron optical techniques

NASA Technical Reports Server (NTRS)

Young, S. G.

1973-01-01

The NASA nickel-base alloy WAZ-20 was analyzed by advanced metallographic techniques to qualitatively and quantitatively characterize its phases and stability. The as-cast alloy contained primary gamma-prime, a coarse gamma-gamma prime eutectic, a gamma-fine gamma prime matrix, and MC carbides. A specimen aged at 870 C for 1000 hours contained these same constituents and a few widely scattered high W particles. No detrimental phases (such as sigma or mu) were observed. Scanning electron microscope, light metallography, and replica electron microscope methods are compared. The value of quantitative electron microprobe techniques such as spot and area analysis is demonstrated.

Assessment of thermal embrittlement in duplex stainless steels 2003 and 2205 for nuclear power applications

DOE PAGES

Tucker, J. D.; Miller, M. K.; Young, G. A.

2015-04-01

Duplex stainless steels are desirable for use in power generation systems due to their attractive combination of strength, corrosion resistance, and cost. However, thermal embrittlement at intermediate homologous temperatures of ~887°F (475°C) and below, via spinodal decomposition, limits upper service temperatures for many applications. New lean grade duplex alloys have improved thermal stability over standard grades and potentially increase the upper service temperature or the lifetime at a given temperature for this class of material. The present work compares the thermal stability of lean grade, alloy 2003 to standard grade, alloy 2205, through a series of isothermal agings between 500°Fmore » (260°C) and 900°F (482°C) for times between 1 and 10,000 hours. Aged samples were characterized by changes in microhardness and impact toughness. Additionally, atom probe tomography was performed to illustrate the evolution of the α-α' phase separation in both alloys at select conditions. Atom probe tomography confirmed that phase separation occurs via spinodal decomposition for both alloys and identified the formation of Ni-Cu-Si-Mn-P clusters in alloy 2205 that may contribute to embrittlement of this alloy. The impact toughness model predictions for upper service temperature show that alloy 2003 can be considered for use in 550°F applications for 80 year service lifetimes based on a Charpy V-notch criteria of 35 ft-lbs at 70°F. Alloy 2205 should be limited to 500°F applications.« less

Vibrational contributions to the phase stability of PbS-PbTe alloys

NASA Astrophysics Data System (ADS)

Doak, Jeff W.; Wolverton, C.; OzoliĆš, Vidvuds

2015-11-01

The thermoelectric figure of merit (Z T ) of semiconductors such as PbTe can be improved by forming nanostructures within the bulk of these materials. Alloying PbTe with PbS causes PbS-rich nanostructures to precipitate from the solid solution, scattering phonons and increasing Z T . Understanding the thermodynamics of this process is crucial to optimizing the efficiency gains of this technique. Previous calculations of the thermodynamics of PbS-PbTe alloys [(J. W. Doak and C. Wolverton, Phys. Rev. B 86, 144202 (2012), 10.1103/PhysRevB.86.144202] found that mixing energetics alone were not sufficient to quantitatively explain the thermodynamic driving force for phase separation in these materials: first-principles calculations of the thermodynamics of phase separation overestimate the thermodynamic driving force for precipitation of PbS-rich nanostructures from PbS-PbTe alloys. In this work, we re-examine the thermodynamics of PbS-PbTe, including the effects of vibrational entropy in the free energy through frozen-phonon calculations of special quasirandom structures (SQS) to explain this discrepancy between first-principles and experimental phase stability. We find that vibrational entropy of mixing reduces the calculated maximum miscibility gap temperature TG of PbS-PbTe by 470 K, bringing the error between calculated and experimental TG down from 700 to 230 K. Our calculated vibrational spectra of PbS-PbTe SQS exhibit dynamic instabilities of S ions that corroborate reports of low-T ferroelectriclike phase transitions in solid solutions of PbS and PbTe, which are not present in either of the constituent compounds. We use our calculated vibrational spectra to obtain phase transition temperatures, which are in qualitative agreement with experimental results for PbTe-rich alloys, as well as to predict the existence of a low-T displacive phase transition in PbS-rich PbS-PbTe, which has not yet been experimentally investigated.

Fe-Ni-Cu-C-S phase relations at high pressures and temperatures - The role of sulfur in carbon storage and diamond stability at mid- to deep-upper mantle

NASA Astrophysics Data System (ADS)

Tsuno, Kyusei; Dasgupta, Rajdeep

2015-02-01

Constraining the stable form of carbon in the deep mantle is important because carbon has key influence on mantle processes such as partial melting and element mobility, thereby affecting the efficiency of carbon exchange between the endogenic and exogenic reservoirs. In the reduced, mid- to deep-upper mantle, the chief host of deep carbon is expected to be graphite/diamond but in the presence of Fe-Ni alloy melt in the reduced mantle and owing to high solubility of carbon in such alloy phase, diamond may become unstable. To investigate the nature of stable, C-bearing phases in the reduced, mid- to deep-upper mantle, here we have performed experiments to examine the effect of sulfur on the phase relations of the Ni-rich portion of Fe-Ni ± Cu-C-S system, and carbon solubility in the Fe-Ni solid and Fe-Ni-S liquid alloys at 6-8 GPa and 800-1400 °C using a multianvil press. Low-temperature experiments for six starting mixes (Ni/(Fe + Ni) ∼ 0.61, 8-16 wt.% S) contain C-bearing, solid Fe-Ni alloy + Fe-Ni-C-S alloy melt + metastable graphite, and the solid alloy-out boundary is constrained, at 1150-1200 °C at 6 GPa and 900-1000 °C at 8 GPa for S-poor starting mix, and at 1000-1050 °C at 6 GPa and 900-1000 °C at 8 GPa for the S-rich starting mix. The carbon solubility in the liquid alloy significantly diminishes from 2.1 to 0.8 wt.% with sulfur in the melt increasing from 8 to 24 wt.%, irrespective of temperature. We also observed a slight decrease of carbon solubility in the liquid alloy with increasing pressure when alloy liquid contains >∼18 wt.% S, and with decreasing Ni/(Fe + Ni) ratio from 0.65 to ∼0.53. Based on our results, diamond, coexisting with Ni-rich sulfide liquid alloy is expected to be stable in the reduced, alloy-bearing oceanic mantle with C content as low as 20 to 5 ppm for mantle S varying between 100 and 200 ppm. Deep, reduced root of cratonic mantle, on the other hand, is expected to have C distributed among solid alloy, liquid alloy, and diamond for low-S (≤100 ppm S) domains and between liquid alloy and diamond in high-S (≥150 ppm S) domains. Our findings can explain the observation of Ni-rich sulfide and/or Fe-Ni alloy inclusions in diamond and suggest that diamond stability in the alloy-bearing, reduced mantle does not necessarily require excess C supply from recycled, crustal lithologies. Our prediction of diamond stability in the background, depleted upper mantle, owing to the interaction with mantle sulfides, is also consistent with the carbon isotopic composition of peridotitic diamond (δ13C of - 5 ± 1 ‰), which suggests no significant input from recycled carbon.

High-pressure high-temperature stability of hcp-Ir xOs 1-x (x = 0.50 and 0.55) alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yusenko, Kirill V.; Bykova, Elena; Bykov, Maxim

2016-12-23

Hcp-Ir 0.55Os 0.45 and hcp-Ir 0.50Os 0.50 alloys were synthesised by thermal decomposition of single-source precursors in hydrogen atmosphere. Both alloys correspond to a miscibility gap in the Ir–Os binary phase diagram and therefore are metastable at ambient conditions. An in situ powder X-ray diffraction has been used for a monitoring a formation of hcp-Ir0.55Os0.45 alloy from (NH 4) 2[Ir 0.55Os 0.45Cl 6] precursor. A crystalline intermediate compound and nanodimentional metallic particles with a large concentration of defects has been found as key intermediates in the thermal decomposition process in hydrogen flow. High-temperature stability of titled hcp-structured alloys has beenmore » investigated upon compression up to 11 GPa using a multi-anvil press and up to 80 GPa using laser-heated diamond-anvil cells to obtain a phase separation into fcc + hcp mixture. Compressibility curves at room temperature as well as thermal expansion at ambient pressure and under compression up to 80 GPa were collected to obtain thermal expansion coefficients and bulk moduli. hcp-Ir 0.55Os 0.45 alloy shows bulk moduli B0 = 395 GPa. Thermal expansion coefficients were estimated as α = 1.6·10 -5 K -1 at ambient pressure and α = 0.3·10 -5 K -1 at 80 GPa. Obtained high-pressure high-temperature data allowed us to construct the first model for pressure-dependent Ir–Os phase diagram.« less

Metastable Polymeric Nitrogen From N2H2 Alloys

DTIC Science & Technology

2008-12-01

dioxide [Iota et al., 2oo7J and oxygen [MililZer and Hemley, 2006] and rich phase diagrams have been derived for each. However, the r~overy of the... oxygen , may lead to the stabilization of ordered extended molecular solid phases [Vos et aI., 1992; Loubeyre et a!., 1993; Somayazulu et al., 1996...and SlI7.hemechny, M.A., 2007: Structure of quench condensed nl·lz-Nl binary alloys: isotope effect, Low Temp. Phys. 33, 499 - 503. Goncharov, A.F

Copper-silicon-magnesium alloys for latent heat storage

DOE PAGES

Gibbs, P. J.; Withey, E. A.; Coker, E. N.; ...

2016-06-21

The systematic development of microstructure, solidification characteristics, and heat of solidification with composition in copper-silicon-magnesium alloys for thermal energy storage is presented. Differential scanning calorimetry was used to relate the thermal characteristics to microstructural development in the investigated alloys and clarifies the location of one of the terminal three-phase eutectics. Repeated thermal cycling highlights the thermal storage stability of the transformation through multiple melting events. In conclusion, two near-terminal eutectic alloys display high enthalpies of solidification, relatively narrow melting ranges, and stable transformation hysteresis behaviors suited to thermal energy storage.

Effects of temperature dependent pre-amorphization implantation on NiPt silicide formation and thermal stability on Si(100)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ozcan, Ahmet S.; Wall, Donald; Jordan-Sweet, Jean

Using temperature controlled Si and C ion implantation, we studied the effects of pre-amorphization implantation on NiPt alloy silicide phase formation. In situ synchrotron x-ray diffraction and resistance measurements were used to monitor phase and morphology evolution in silicide films. Results show that substrate amorphization strongly modulate the nucleation of silicide phases, regardless of implant species. However, morphological stability of the thin films is mainly enhanced by C addition, independently of the amorphization depth.

First-principles study of Co- and Cu-doped Ni2MnGa along the tetragonal deformation path

NASA Astrophysics Data System (ADS)

Zelený, M.; Sozinov, A.; Straka, L.; Björkman, T.; Nieminen, R. M.

2014-05-01

The influence of Co and Cu doping on Ni-Mn-Ga Heusler alloy is investigated using the first-principles exact muffin-tin orbital method in combination with the coherent-potential approximation. Single-element doping and simultaneous doping by both elements are investigated in Ni50-xCoxMn25-yGa25-zCuy+z alloys, with dopant concentrations x ,y, and z up to 7.5 at. %. Doping with Co in the Ni sublattice decreases the (c/a)NM ratio of the nonmodulated (NM) martensite, but it simultaneously increases the cubic phase stability with respect to the NM phase. Doping with Cu in the Mn or in Ga sublattices does not change the (c/a)NM ratio significantly and it decreases the cubic phase stability. For simultaneous doping by Co in the Ni sublattice and Cu in the Mn or Ga sublattices, the effects of the individual dopants are independent and about the same as for the single-element doping. Thus, the (c/a)NM ratio can be adjusted by Co doping while the phase stability can be balanced by Cu doping, resulting in stable martensite with a reduced (c/a)NM. The local stability of the cubic phase with respect to the tetragonal deformation can be understood on the basis of a density-of-states analysis.

Microstructures and Surface Stabilities of {Ni-0.4C-6Ta- xCr, 0 ≤ x ≤ 50 Wt Pct} Cast Alloys at High Temperature

NASA Astrophysics Data System (ADS)

Berthod, Patrice

2018-06-01

Nickel-based cast alloys rich in chromium and reinforced by TaC carbides are potentially very interesting alloys for applications at elevated temperatures. Unfortunately, unlike cobalt-chromium and iron-chromium alloys, it is difficult to obtain exclusively TaC as primary carbides in Ni-Cr alloys. In alloys containing 30 wt pct Cr tantalum, carbides coexist with chromium carbides. The latter tend to weaken the alloy at elevated temperatures because they become rapidly spherical and then quickly lose their reinforcing effect. In this work, we attempted to stabilize TaC as a single carbide phase by testing different chromium contents in the [0, 50 wt pct] range. Six alloys containing 0.4C and 6Ta, weight contents corresponding to equivalent molar contents, were elaborated by foundry, and their as-cast microstructures were characterized. Samples of all alloys were exposed to 1127 °C and 1237 °C for 24 hours to characterize their stabilized microstructures. The surface fractions of chromium carbides and tantalum carbides were measured by image analysis, and their evolutions vs the chromium content were studied. For the chosen C and Ta contents, it appears that obtaining TaC only is possible by decreasing the chromium content to 10 wt pct. At the same time, TaC fractions are unfortunately too low because a large portion of tantalum integrates into the solid solution in the matrix. A second consequence is a critical decrease in oxidation resistance. Other possible methods to stabilize TaC as a single carbide are evocated, such as the simultaneous increase in Ta and decrease in chromium from 30 wt pct Cr.

Stability enhancement of Cu2S against Cu vacancy formation by Ag alloying

NASA Astrophysics Data System (ADS)

Barman, Sajib K.; Huda, Muhammad N.

2018-04-01

As a potential solar absorber material, Cu2S has proved its importance in the field of renewable energy. However, almost all the known minerals of Cu2S suffer from spontaneous Cu vacancy formation in the structure. The Cu vacancy formation causes the structure to possess very high p-type doping that leads the material to behave as a degenerate semiconductor. This vacancy formation tendency is a major obstacle for this material in this regard. A relatively new predicted phase of Cu2S which has an acanthite-like structure was found to be preferable than the well-known low chalcocite Cu2S. However, the Cu-vacancy formation tendency in this phase remained similar. We have found that alloying silver with this structure can help to reduce Cu vacancy formation tendency without altering its electronic property. The band gap of silver alloyed structure is higher than pristine acanthite Cu2S. In addition, Cu diffusion in the structure can be reduced with Ag doped in Cu sites. In this study, a systematic approach is presented within the density functional theory framework to study Cu vacancy formation tendency and diffusion in silver alloyed acanthite Cu2S, and proposed a possible route to stabilize Cu2S against Cu vacancy formations by alloying it with Ag.

Stability enhancement of Cu2S against Cu vacancy formation by Ag alloying.

PubMed

Barman, Sajib K; Huda, Muhammad N

2018-04-25

As a potential solar absorber material, Cu 2 S has proved its importance in the field of renewable energy. However, almost all the known minerals of Cu 2 S suffer from spontaneous Cu vacancy formation in the structure. The Cu vacancy formation causes the structure to possess very high p-type doping that leads the material to behave as a degenerate semiconductor. This vacancy formation tendency is a major obstacle for this material in this regard. A relatively new predicted phase of Cu 2 S which has an acanthite-like structure was found to be preferable than the well-known low chalcocite Cu 2 S. However, the Cu-vacancy formation tendency in this phase remained similar. We have found that alloying silver with this structure can help to reduce Cu vacancy formation tendency without altering its electronic property. The band gap of silver alloyed structure is higher than pristine acanthite Cu 2 S. In addition, Cu diffusion in the structure can be reduced with Ag doped in Cu sites. In this study, a systematic approach is presented within the density functional theory framework to study Cu vacancy formation tendency and diffusion in silver alloyed acanthite Cu 2 S, and proposed a possible route to stabilize Cu 2 S against Cu vacancy formations by alloying it with Ag.

Application of Molecular Interaction Volume Model for Phase Equilibrium of Sn-Based Binary System in Vacuum Distillation

NASA Astrophysics Data System (ADS)

Kong, Lingxin; Yang, Bin; Xu, Baoqiang; Li, Yifu

2014-09-01

Based on the molecular interaction volume model (MIVM), the activities of components of Sn-Sb, Sb-Bi, Sn-Zn, Sn-Cu, and Sn-Ag alloys were predicted. The predicted values are in good agreement with the experimental data, which indicate that the MIVM is of better stability and reliability due to its good physical basis. A significant advantage of the MIVM lies in its ability to predict the thermodynamic properties of liquid alloys using only two parameters. The phase equilibria of Sn-Sb and Sn-Bi alloys were calculated based on the properties of pure components and the activity coefficients, which indicates that Sn-Sb and Sn-Bi alloys can be separated thoroughly by vacuum distillation. This study extends previous investigations and provides an effective and convenient model on which to base refining simulations for Sn-based alloys.

Understanding Phase-Change Memory Alloys from a Chemical Perspective

NASA Astrophysics Data System (ADS)

Kolobov, A. V.; Fons, P.; Tominaga, J.

2015-09-01

Phase-change memories (PCM) are associated with reversible ultra-fast low-energy crystal-to-amorphous switching in GeTe-based alloys co-existing with the high stability of the two phases at ambient temperature, a unique property that has been recently explained by the high fragility of the glass-forming liquid phase, where the activation barrier for crystallisation drastically increases as the temperature decreases from the glass-transition to room temperature. At the same time the atomistic dynamics of the phase-change process and the associated changes in the nature of bonding have remained unknown. In this work we demonstrate that key to this behavior is the formation of transient three-center bonds in the excited state that is enabled due to the presence of lone-pair electrons. Our findings additionally reveal previously ignored fundamental similarities between the mechanisms of reversible photoinduced structural changes in chalcogenide glasses and phase-change alloys and offer new insights into the development of efficient PCM materials.

Understanding Phase-Change Memory Alloys from a Chemical Perspective.

PubMed

Kolobov, A V; Fons, P; Tominaga, J

2015-09-01

Phase-change memories (PCM) are associated with reversible ultra-fast low-energy crystal-to-amorphous switching in GeTe-based alloys co-existing with the high stability of the two phases at ambient temperature, a unique property that has been recently explained by the high fragility of the glass-forming liquid phase, where the activation barrier for crystallisation drastically increases as the temperature decreases from the glass-transition to room temperature. At the same time the atomistic dynamics of the phase-change process and the associated changes in the nature of bonding have remained unknown. In this work we demonstrate that key to this behavior is the formation of transient three-center bonds in the excited state that is enabled due to the presence of lone-pair electrons. Our findings additionally reveal previously ignored fundamental similarities between the mechanisms of reversible photoinduced structural changes in chalcogenide glasses and phase-change alloys and offer new insights into the development of efficient PCM materials.

Microstructure and property of directionally solidified Ni-Si hypereutectic alloy

NASA Astrophysics Data System (ADS)

Cui, Chunjuan; Tian, Lulu; Zhang, Jun; Yu, Shengnan; Liu, Lin; Fu, Hengzhi

2016-03-01

This paper investigates the influence of the solidification rate on the microstructure, solid/liquid interface, and micro-hardness of the directionally solidified Ni-Si hypereutectic alloy. Microstructure of the Ni-Si hypereutectic alloy is refined with the increase of the solidification rate. The Ni-Si hypereutectic composite is mainly composed of α-Ni matrix, Ni-Ni3Si eutectic phase, and metastable Ni31Si12 phase. The solid/liquid interface always keeps planar interface no matter how high the solidification rate is increased. This is proved by the calculation in terms of M-S interface stability criterion. Moreover, the Ni-Si hypereutectic composites present higher micro-hardness as compared with that of the pure Ni3Si compound. This is caused by the formation of the metastable Ni31Si12 phase and NiSi phase during the directional solidification process.

Powder metallurgical low-modulus Ti-Mg alloys for biomedical applications.

PubMed

Liu, Yong; Li, Kaiyang; Luo, Tao; Song, Min; Wu, Hong; Xiao, Jian; Tan, Yanni; Cheng, Ming; Chen, Bing; Niu, Xinrui; Hu, Rong; Li, Xiaohui; Tang, Huiping

2015-11-01

In this work, powder metallurgical (PM) Ti-Mg alloys were prepared using combined techniques of mechanical alloying and spark plasma sintering. The alloys mainly consist of super saturations of Mg in Ti matrix, and some laminar structured Ti- and Mg-rich phases. The PM Ti-Mg alloys contain a homogeneous mixtures of nanocrystalline Mg and Ti phases. The novel microstructures result in unconventional mechanical and biological properties. It has been shown that the PM Ti-Mg alloys have a much lower compression modulus (36-50GPa) compared to other Ti alloys, but still remain a very high compressive strength (1500-1800MPa). In addition, the PM Ti-Mg alloys show good biocompatibility and bioactivity. Mg can dissolve in the simulated body fluids, and induce the formation of the calcium phosphate layer. The compression modulus of PM Ti-Mg alloys decreases with the amount of Mg, while the bioactivity increases. Although the corrosion resistance of Ti-Mg alloys decreases with the content of Mg, the alloys still show good stability in simulated body fluid under electrochemical conditions. The indirect and direct cytotoxicity results show that PM Ti-Mg alloys have a good biocompatibility to NIH-3T3 cells. Therefore, the PM Ti-Mg alloys are promising candidates in biomedical applications. Copyright © 2015 Elsevier B.V. All rights reserved.

Resistance of a directionally solidified gamma/gamma prime-delta eutectic alloy to recrystallization. [Ni-base alloy

NASA Technical Reports Server (NTRS)

Tewari, S. N.; Scheuermann, C. M.; Andrews, C. W.

1976-01-01

A lamellar nickel-base directionally-solidified eutectic gamma/gamma prime-delta alloy has potential as an advanced gas turbine blade material. The microstructural stability of this alloy was investigated. Specimens were plastically deformed by uniform compression or Brinell indentation, then annealed between 750 and 1120 C. Microstructural changes observed after annealing included gamma prime coarsening, pinch-off and spheroidization of delta lamellae, and appearance of an unidentified blocky phase in surface layers. All but the first of these was localized in severely deformed regions, suggesting that microstructural instability may not be a serious problem in the use of this alloy.

Electrochemical Impedance Analysis of β-TITANIUM Alloys as Implants in Ringers Lactate Solution

NASA Astrophysics Data System (ADS)

Bhola, Rahul; Bhola, Shaily M.; Mishra, Brajendra; Olson, David L.

2010-02-01

Commercially pure titanium and two β-titanium alloys, TNZT and TMZF, have been characterized using various electrochemical techniques for their corrosion behavior in Ringers lactate solution. The variation of corrosion potential and solution pH with time has been discussed. Electrochemical Impedance Spectroscopy has been used to fit the results into a circuit model. The stability of the oxides formed on the surface of these alloys has been correlated with impedance phase angles. Cyclic Potentiodynamic Polarization has been used to compute the corrosion parameters for the alloys. TMZF is found to be a better β-alloy as compared to TNZT.

Microstructural control of FeCrAl alloys using Mo and Nb additions

DOE PAGES

Sun, Zhiqian; Bei, Hongbin; Yamamoto, Yukinori

2017-08-14

The effects of Mo and Nb additions on the microstructure and mechanical properties of two FeCrAl alloys were studied in this paper. Fine and uniform recrystallized grain structures (~ 20–30 μm) were achieved in both alloys through suitable annealing after warm-rolling. The formation of Fe 2Nb-type Laves phase precipitates in the Nb-containing FeCrAl alloy effectively stabilized the deformed and recrystallized microstructures. The Mo-containing FeCrAl alloy exhibited strong γ texture fiber after annealing at 650–900 °C, whereas the annealed Nb-containing FeCrAl alloy had much weaker texture. Finally, both strength and ductility decreased as the grain size increased in both alloys.

Characterization of a New Phase and Its Effect on the Work Characteristics of a Near-Stoichiometric Ni30Pt20Ti50 High-Temperature Shape Memory Alloy (HTSMA)

NASA Technical Reports Server (NTRS)

Garg, A.; Gaydosh, D.; Noebe, R.D.; Padula II, Santo; Bigelow, G.S.; Kaufman, M.; Kovarik, L.; Mills, M.J.; Diercks, D.; McMurray, S.

2008-01-01

A new phase observed in a nominal Ni30Pt20Ti50 (at.%) high temperature shape memory alloy has been characterized using transmission electron microscopy and 3-D atom probe tomography. This phase forms homogeneously in the B2 austenite matrix by a nucleation and growth mechanism and results in a concomitant increase in the martensitic transformation temperature of the base alloy. Although the structure of this phase typically contains a high density of faults making characterization difficult, it appears to be trigonal (-3m point group) with a(sub o) approx. 1.28 nm and c(sub o) approx. 1.4 nm. Precipitation of this phase increases the microhardness of the alloy substantially over that of the solution treated and quenched single-phase material. The effect of precipitation strengthening on the work characteristics of the alloy has been explored through load-biased strain-temperature testing in the solution-treated condition and after aging at 500 C for times ranging from 1 to 256 hours. Work output was found to increase in the aged alloy as a result of an increase in transformation strain, but was not very sensitive to aging time. The amount of permanent deformation that occurred during thermal cycling under load was small but increased with increasing aging time and stress. Nevertheless, the dimensional stability of the alloy at short aging times (1-4 hours) was still very good making it a potentially useful material for high-temperature actuator applications.

Influence of phase composition on microstructure and properties of Mg-5Al-0.4Mn-xRE (x = 0, 3 and 5 wt.%) alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Braszczyńska-Malik, K.N., E-mail: kacha@wip.pcz.pl; Grzybowska, A.

2016-05-15

The microstructure and mechanical properties investigations of two AME503 and AME505 experimental alloys in as-cast conditions were presented. The investigated materials were fabricated on the basis of the AM50 commercial magnesium alloy with 3 and 5 wt.% cerium rich mischmetal. In the as-cast condition, both experimental alloys were mainly composed of α-Mg, Al{sub 11}RE{sub 3} and Al{sub 10}RE{sub 2}Mn{sub 7} intermetallic phases. Additionally, due to non-equilibrium solidification conditions, a small amount of α + γ divorced eutectic and Al{sub 2}RE intermetallic phase were revealed. The obtained results also show a significant influence of rare earth elements on Brinell hardness, tensilemore » and compression properties at ambient temperature and especially on creep properties at 473 K. Improved alloy properties with a rise in rare earth elements mass fraction results from an increase in Al{sub 11}RE{sub 3} phase volume fraction and suppression of α + γ eutectic volume fraction in the alloy microstructure. Additionally, the influence of rare earth elements on the dendrite arm space value was discussed. The presented results also proved the thermal stability of the intermetallic phases during creep testing. - Highlights: • Two different Mg-5Al-0.4Mn alloys containing 3 and 5 wt.% of rare earth elements were fabricated. • Addition of rare earth elements leads to a reduction of dendrite arm spaces. • Mechanical properties depend on the phase composition of the alloys. • The increase of the rare earth elements content causes rise of the creep resistance.« less

Investigations on the electronic, structural, magnetic properties related to shape-memory behavior in Ti{sub 2}CoX (X=Al, Ga, In)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wei, Xiao-Ping, E-mail: weixp2008@gmail.com; Chu, Yan-Dong; Sun, Xiao-Wei

2015-02-15

Highlights: • The analysis of phase stability trend is studied for Ti{sub 2}CoX(X = Al, Ga, In). • Ti{sub 2}CoGa is more suitable as shape memory alloy. • Total magnetic moments disappear with a increase of c/a ratio for all systems. • Density of states at the Fermi level are also shown. - Abstract: Using the full-potential local orbital minimum-basis method, we have performed a systematic investigations on the electronic, structural, and magnetic properties related to shape memory applications for Ti{sub 2}CoX (X=Al, Ga, In) alloys. Our results confirm that these alloys are half-metallic ferromagnets with total magnetic moment ofmore » 2μ{sub B} per formula unit in austenite phase, and undergo a martensitic transformation at low temperatures. The relative stabilities of the martensitic phases differ considerably between Ti{sub 2}CoX (X=Al, Ga, In). Details of the electronic structures suggest that the differences in hybridizations between the magnetic components are responsible for trends of phase. Quantitative estimates for the energetics and the magnetizations indicate that Ti{sub 2}CoGa is a promising candidate for shape memory applications.« less

Program to Investigate Advanced Laser Processing of Materials

DTIC Science & Technology

1981-01-01

Concept • High yield strength alloys were produced from eutectic starting materials; the results from the NiMoAl alloy which displayed a yield...evacuated quartz capsules for homogenization and recrystallization studies, and/or (b) 538-760°C in air for 32-500 hrs to examine phase stability and age...in Figs. 36 and 37. The peaks indica- tive of the melting and freezing of an alloy of eutectic composition shown in 22 R81-914346-8 Fig. 33 were

Structural characteristics and elevated temperature mechanical properties of AJ62 Mg alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kubásek, J., E-mail: Jiri.Kubasek@vscht.cz; Vojtěch, D.; Martínek, M.

2013-12-15

Structure and mechanical properties of the novel casting AJ62 (Mg–6Al–2Sr) alloy developed for elevated temperature applications were studied. The AJ62 alloy was compared to commercial casting AZ91 (Mg–9Al–1Zn) and WE43 (Mg–4Y–3RE) alloys. The structure was examined by scanning electron microscopy, x-ray diffraction and energy dispersive spectrometry. Mechanical properties were characterized by Viskers hardness measurements in the as-cast state and after a long-term heat treatment at 250 °C/150 hours. Compressive mechanical tests were also carried out both at room and elevated temperatures. Compressive creep tests were conducted at a temperature of 250 °C and compressive stresses of 60, 100 and 140more » MPa. The structure of the AJ62 alloy consisted of primary α-Mg dendrites and interdendritic nework of the Al{sub 4}Sr and massive Al{sub 3}Mg{sub 13}Sr phases. By increasing the cooling rate during solidification from 10 and 120 K/s the average dendrite arm thickness decreased from 18 to 5 μm and the total volume fraction of the interdendritic phases from 20% to 30%. Both factors slightly increased hardness and compressive strength. The room temperature compressive strength and hardness of the alloy solidified at 30 K/s were 298 MPa and 50 HV 5, i.e. similar to those of the as-cast WE43 alloy and lower than those of the AZ91 alloy. At 250 °C the compressive strength of the AJ62 alloy decreased by 50 MPa, whereas those of the AZ91 and WE43 alloys by 100 and 20 MPa, respectively. The creep rate of the AJ62 alloy was higher than that of the WE43 alloy, but significantly lower in comparison with the AZ91 alloy. Different thermal stabilities of the alloys were discussed and related to structural changes during elevated temperature expositions. - Highlights: • Small effect of cooling rate on the compressive strength and hardness of AJ 62 • A bit lower compressive strength of AJ 62 compared to AZ91 at room temperature • Higher resistance of the AJ 62 alloy to the creep process in compression compared to AZ91 • Excellent thermal stability and creep resistance of the alloy WE 43 • Improved thermal stability and creep resistance in order WE43 > AJ62 >> AZ91.« less

Structural Inheritance and Redox Performance of Nanoporous Electrodes from Nanocrystalline Fe85.2B10-14P0-4Cu0.8 Alloys

PubMed Central

Fu, Chaoqun; Xu, Lijun; Dan, Zhenhua; Makino, Akihiro; Hara, Nobuyoshi; Qin, Fengxiang; Chang, Hui

2017-01-01

Nanoporous electrodes have been fabricated by selectively dissolving the less noble α-Fe crystalline phase from nanocrystalline Fe85.2B14–xPxCu0.8 alloys (x= 0, 2, 4 at.%). The preferential dissolution is triggered by the weaker electrochemical stability of α-Fe nanocrystals than amorphous phase. The final nanoporous structure is mainly composed of amorphous residual phase and minor undissolved α-Fe crystals and can be predicted from initial microstructure of nanocrystalline precursor alloys. The structural inheritance is proved by the similarity of the size and outlines between nanopores formed after dealloying in 0.1 M H2SO4 and α-Fe nanocrystals precipitated after annealing of amorphous Fe85.2B14−xPxCu0.8 (x = 0, 2, 4 at.%) alloys. The Redox peak current density of the nanoporous electrodes obtained from nanocrystalline Fe85.2B10P4Cu0.8 alloys is more than one order higher than those of Fe plate electrode and its counterpart nanocrystalline alloys due to the large surface area and nearly-amorphous nature of ligaments. PMID:28594378

The chemical phenol extraction of intermetallic particles from casting AlSi5Cu1Mg alloy.

PubMed

Mrówka-Nowotnik, G; Sieniawski, J; Nowotnik, A

2010-03-01

This paper presents a chemical extraction technique for determination of intermetallic phases formed in the casting AlSi5Cu1Mg aluminium alloy. Commercial aluminium alloys contain a wide range of intermetallic particles that are formed during casting, homogenization and thermomechanical processing. During solidification, particles of intermetallics are dispersed in interdendritic spaces as fine primary phases. Coarse intermetallic compounds that are formed in this aluminium alloy are characterized by unique atomic arrangement (crystallographic structure), morphology, stability, physical and mechanical properties. The volume fraction, chemistry and morphology of the intermetallics significantly affect properties and material behaviour during thermomechanical processing. Therefore, accurate determination of intermetallics is essential to understand and control microstructural evolution in Al alloys. Thus, in this paper it is shown that chemical phenol extraction method can be applied for precise qualitative evaluation. The results of optical light microscopy LOM, scanning electron microscopy SEM and X-ray diffraction XRD analysis reveal that as-cast AlSi5Cu1Mg alloy contains a wide range of intermetallic phases such as Al(4)Fe, gamma- Al(3)FeSi, alpha-Al(8)Fe(2)Si, beta-Al(5)FeSi, Al(12)FeMnSi.

Thermal stability of Pt-Ti bilayer films annealing in vacuum and ambient atmosphere

NASA Astrophysics Data System (ADS)

Weng, Sizhe; Qiao, Li; Wang, Peng

2018-06-01

The thermal stability of platinum/titanium bilayer film dominates the performance when the film electrodes operate under extreme conditions, such as high temperature. In this study, a platinum/titanium bilayer film deposited by magnetron sputtering was used as a model system to study the influence of annealing in vacuum and ambient atmosphere on structural and electrical resistivity changes. The results show that in both cases blow 773 K annealing the metal platinum is the dominant phase, the alloying and the diffusion happen only at the interface of Pt and Ti. Two different structural evolutions set in when the temperature above 873 K, in vacuum an alloying process promotes with increasing of annealing temperature and metal Pt phase transforms to TiPt8 and finally to TiPt3 compounds, which leads to the increase of electrical resistivity. In ambient atmosphere annealing, when titanium diffused out to the surface of film, the oxidation reaction between titanium and oxygen suppresses the alloying process between platinum and titanium, in this case the metal Pt phase remains in the film and starts to agglomerate, defects such as grain boundary and voids in film reduced due to the recrystallization, results in the reduction of electrical resistivity.

Three-dimensional phase-field simulations of directional solidification

NASA Astrophysics Data System (ADS)

Plapp, Mathis

2007-05-01

The phase-field method has become the method of choice for simulating microstructural pattern formation during solidification. One of its main advantages is that time-dependent three-dimensional simulations become feasible, which makes it possible to address long-standing questions of pattern stability and pattern selection. Here, a brief introduction to the phase-field model and its implementation is given, and its capabilities are illustrated by examples taken from the directional solidification of binary alloys. In particular, the morphological stability of hexagonal cellular arrays and of eutectic lamellar patterns is investigated.

Theoretical Assessment on the Phase Transformation Kinetic Pathways of Multi-component Ti Alloys: Application to Ti-6Al- 4V

DOE PAGES

Ji, Yanzhou; Heo, Tae Wook; Zhang, Fan; ...

2015-12-21

Here we present our theoretical assessment of the kinetic pathways during phase transformations of multi-component Ti alloys. Employing the graphical thermodynamic approach and an integrated free energy function based on the realistic thermodynamic database and assuming that a displacive structural transformation occurs much faster than long-range diffusional processes, we analyze the phase stabilities of Ti-6Al -4V (Ti-6wt.%Al -4wt.%V). Our systematic analyses predict a variety of possible kinetic pathways for β to (α + β) transformations leading to different types of microstructures under various heat treatment conditions. In addition, the possibility of unconventional kinetic pathways is discussed. Lastly, we also brieflymore » discuss the application of our approach to general multicomponent/multiphase alloy systems.« less

Interatomic potential to study plastic deformation in tungsten-rhenium alloys

NASA Astrophysics Data System (ADS)

Bonny, G.; Bakaev, A.; Terentyev, D.; Mastrikov, Yu. A.

2017-04-01

In this work, an interatomic potential for the W-Re system is fitted and benchmarked against experimental and density functional theory (DFT) data, of which part are generated in this work. Having in mind studies related to the plasticity of W-Re alloys under irradiation, emphasis is put on fitting point-defect properties, elastic constants, and dislocation properties. The developed potential can reproduce the mechanisms responsible for the experimentally observed softening, i.e., decreasing shear moduli, decreasing Peierls barrier, and asymmetric screw dislocation core structure with increasing Re content in W-Re solid solutions. In addition, the potential predicts elastic constants in reasonable agreement with DFT data for the phases forming non-coherent precipitates (σ- and χ-phases) in W-Re alloys. In addition, the mechanical stability of the different experimentally observed phases is verified in the temperature range of interest (700-1500 K). As a conclusion, the presented potential provides an excellent tool to study plasticity in W-Re alloys at the atomic level.

Hidden amorphous phase and reentrant supercooled liquid in Pd-Ni-P metallic glasses

DOE PAGES

Lan, S.; Ren, Y.; Wei, X. Y.; ...

2017-03-17

An anomaly in differential scanning calorimetry has been reported in a number of metallic glass materials in which a broad exothermal peak was observed between the glass and crystallization temperatures. The mystery surrounding this calorimetric anomaly is epitomized by four decades long studies of Pd-Ni-P metallic glasses, arguably the best glass-forming alloys. Here we show, using a suite of in-situ experimental techniques, that Pd-Ni-P alloys have a hidden amorphous phase in the supercooled liquid region. The anomalous exothermal peak is the consequence of a polyamorphous phase transition between two supercooled liquids, involving a change in the packing of atomic clustersmore » over medium-range length scales as large as 18 Å. With further temperature increase, the alloy reenters the supercooled liquid phase which forms the room-temperature glass phase upon quenching. Finally, the outcome of this study raises a possibility to manipulate the structure and hence the stability of metallic glasses through heat-treatment.« less

Cubic γ-phase U-Mo alloys synthesized by splat-cooling

NASA Astrophysics Data System (ADS)

Kim-Ngan, Nhu-T. H.; Tkach, I.; Mašková, S.; Havela, L.; Warren, A.; Scott, T.

2013-09-01

U-Mo alloys are the most promising materials fulfilling the requirements of using low enriched uranium (LEU) fuel in research reactors. From a fundamental standpoint, it is of interest to determine the basic thermodynamic properties of the cubic γ-phase U-Mo alloys. We focus our attention on the use of Mo doping together with ultrafast cooling (with high cooling rates ⩾106 K s-1), which helps to maintain the cubic γ-phase in U-Mo system to low temperatures and on determination of the low-temperature properties of these γ-U alloys. Using a splat cooling method it has been possible to maintain some fraction of the high-temperature γ-phase at room temperature in pure uranium. U-13 at.% Mo splat clearly exhibits the pure γ-phase structure. All the splats become superconducting with Tc in the range from 1.24 K (pure U splat) to 2.11 K (U-15 at.% Mo). The γ-phase in U-Mo alloys undergoes eutectoid decomposition to form equilibrium phases of orthorhombic α-uranium and tetragonal γ‧-phase upon annealing at 500 °C, while annealing at 800 °C has stabilized the initial γ phase. The α-U easily absorbs a large amount of hydrogen (UH3 hydride), while the cubic bcc phase does not absorb any detectable amount of hydrogen at pressures below 1 bar and at room temperature. At 80 bar, the U-15 at.% Mo splat becomes powder consisting of elongated particles of 1-2 mm, revealing amorphous state.

Developing precipitation hardenable high entropy alloys

NASA Astrophysics Data System (ADS)

Gwalani, Bharat

High entropy alloys (HEAs) is a concept wherein alloys are constructed with five or more elements mixed in equal proportions; these are also known as multi-principle elements (MPEs) or complex concentrated alloys (CCAs). This PhD thesis dissertation presents research conducted to develop precipitation-hardenable high entropy alloys using a much-studied fcc-based equi-atomic quaternary alloy (CoCrFeNi). Minor additions of aluminium make the alloy amenable for precipitating ordered intermetallic phases in an fcc matrix. Aluminum also affects grain growth kinetics and Hall-Petch hardenability. The use of a combinatorial approach for assessing composition-microstructure-property relationships in high entropy alloys, or more broadly in complex concentrated alloys; using laser deposited compositionally graded AlxCrCuFeNi 2 (0 < x < 1.5) complex concentrated alloys as a candidate system. The composition gradient has been achieved from CrCuFeNi2 to Al 1.5CrCuFeNi2 over a length of ˜25 mm, deposited using the laser engineered net shaping process from a blend of elemental powders. With increasing Al content, there was a gradual change from an fcc-based microstructure (including the ordered L12 phase) to a bcc-based microstructure (including the ordered B2 phase), accompanied with a progressive increase in microhardness. Based on this combinatorial assessment, two promising fcc-based precipitation strengthened systems have been identified; Al0.3CuCrFeNi2 and Al0.3CoCrFeNi, and both compositions were subsequently thermo-mechanically processed via conventional techniques. The phase stability and mechanical properties of these alloys have been investigated and will be presented. Additionally, the activation energy for grain growth as a function of Al content in these complex alloys has also been investigated. Change in fcc grain growth kinetic was studied as a function of aluminum; the apparent activation energy for grain growth increases by about three times going from Al0.1CoCrFeNi (3% Al (at%)) to Al0.3CoCrFeNi. (7% Al (at%)). Furthermore, Al addition leads to the precipitation of highly refined ordered L12 (gamma') and B2 precipitates in Al0.3CoCrFeNi. A detailed investigation of precipitation of the ordered phases in Al0.3CoCrFeNi and their thermal stability is done using atom probe tomography (APT), transmission electron microscopy (TEM) and Synchrotron X-ray in situ and ex situ analyses. The alloy strengthened via grain boundary strengthening following the Hall-Petch relationship offers a large increment of strength with small variation in grain size. Tensile strength of the Al0.3CoFeNi is increased by 50% on precipitation fine-scale gamma' precipitates. Furthermore, precipitation of bcc based ordered phase B2 in Al0.3CoCrFeNi can further strengthen the alloy. Fine-tuning the microstructure by thermo-mechanical treatments achieved a wide range of mechanical properties in the same alloy. The Al0.3CoCrFeNi HEA exhibited ultimate tensile strength (UTS) of ˜250 MPa and ductility of ˜65%; a UTS of ˜1100 MPa and ductility of ˜30%; and a UTS of 1850 MPa and a ductility of 5% after various thermo-mechanical treatments. Grain sizes, precipitates type and size scales manipulated in the alloy result in different strength ductility combinations. Henceforth, the alloy presents a fertile ground for development by grain boundary strengthening and precipitation strengthening, and offers very high activation energy of grain growth aptly suitable for high-temperature applications.

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

NASA Technical Reports Server (NTRS)

Haskins, Justin B.; Thompson, Alexander E.; Lawson, John W.

2016-01-01

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.

Alumina-Forming Austenitic Stainless Steels Strengthened by Laves Phase and MC Carbide Precipitates

NASA Astrophysics Data System (ADS)

Yamamoto, Y.; Brady, M. P.; Lu, Z. P.; Liu, C. T.; Takeyama, M.; Maziasz, P. J.; Pint, B. A.

2007-11-01

Creep strengthening of Al-modified austenitic stainless steels by MC carbides or Fe2Nb Laves phase was explored. Fe-20Cr-15Ni-(0-8)Al and Fe-15Cr-20Ni-5Al base alloys (at. pct) with small additions of Nb, Mo, W, Ti, V, C, and B were cast, thermally-processed, and aged. On exposure from 650 °C to 800 °C in air and in air with 10 pct water vapor, the alloys exhibited continuous protective Al2O3 scale formation at an Al level of only 5 at. pct (2.4 wt pct). Matrices of the Fe-20Cr-15Ni-5Al base alloys consisted of γ (fcc) + α (bcc) dual phase due to the strong α-Fe stabilizing effect of the Al addition and exhibited poor creep resistance. However, adjustment of composition to the Fe-15Cr-20Ni-5Al base resulted in alloys that were single-phase γ-Fe and still capable of alumina scale formation. Alloys that relied solely on Fe2Nb Laves phase precipitates for strengthening exhibited relatively low creep resistance, while alloys that also contained MC carbide precipitates exhibited creep resistance comparable to that of commercially available heat-resistant austenitic stainless steels. Phase equilibria studies indicated that NbC precipitates in combination with Fe2Nb were of limited benefit to creep resistance due to the solution limit of NbC within the γ-Fe matrix of the alloys studied. However, when combined with other MC-type strengtheners, such as V4C3 or TiC, higher levels of creep resistance were obtained.

Thermal expansion in FeCrCoNiGa high-entropy alloy from theory and experiment

NASA Astrophysics Data System (ADS)

Huang, Shuo; Vida, Ádám; Li, Wei; Molnár, Dávid; Kyun Kwon, Se; Holmström, Erik; Varga, Béla; Károly Varga, Lajos; Vitos, Levente

2017-06-01

First-principle alloy theory and key experimental techniques are applied to determine the thermal expansion of FeCrCoNiGa high-entropy alloy. The magnetic transition, observed at 649 K, is accompanied by a significant increase in the thermal expansion coefficient. The phase stability is analyzed as a function of temperature via the calculated free energies accounting for the structural, magnetic, electronic, vibrational and configurational contributions. The single- and polycrystal elastic modulus for the ferro- and paramagnetic states of the face-centered and body-centered cubic phases are presented. By combining the measured and theoretically predicted temperature-dependent lattice parameters, we reveal the structural and magnetic origin of the observed anomalous thermal expansion behavior.

Effect of Ag Addition on the Electrochemical Performance of Cu10Al in Artificial Saliva

PubMed Central

Salgado-Salgado, R. J.; Sotelo-Mazon, O.; Rodriguez-Diaz, R. A.; Salinas-Solano, G.

2016-01-01

In this work we proposed to evaluate the corrosion resistance of four different alloys by electrochemical techniques, a binary alloy Cu10Al, and three ternary alloys Cu10Al-xAg (x = 5, 10, and 15 wt.%) to be used like biomaterials in dental application. Biomaterials proposed were tested in artificial saliva at 37°C for 48 h. In addition, pure metals Cu, Al, Ag, and Ti as reference materials were evaluated. In general the short time tests indicated that the Ag addition increases the corrosion resistance and reduces the extent of localized attack of the binary alloy. Moreover, tests for 48 hours showed that the Ag addition increases the stability of the passive layer, thereby reducing the corrosion rate of the binary alloy. SEM analysis showed that Cu10Al alloy was preferably corroded by grain boundaries, and the Ag addition modified the form of attack of the binary alloy. Cu-rich phases reacted with SCN− anions forming a film of CuSCN, and the Ag-rich phase is prone to react with SCN− anions forming AgSCN. Thus, binary and ternary alloys are susceptible to tarnish in the presence of thiocyanate ions. PMID:27660601

Numerical Study of the Plasticity-Induced Stabilization Effect on Martensitic Transformations in Shape Memory Alloys

NASA Astrophysics Data System (ADS)

Junker, Philipp; Hempel, Philipp

2017-12-01

It is well known that plastic deformations in shape memory alloys stabilize the martensitic phase. Furthermore, the knowledge concerning the plastic state is crucial for a reliable sustainability analysis of construction parts. Numerical simulations serve as a tool for the realistic investigation of the complex interactions between phase transformations and plastic deformations. To account also for irreversible deformations, we expand an energy-based material model by including a non-linear isotropic hardening plasticity model. An implementation of this material model into commercial finite element programs, e.g., Abaqus, offers the opportunity to analyze entire structural components at low costs and fast computation times. Along with the theoretical derivation and expansion of the model, several simulation results for various boundary value problems are presented and interpreted for improved construction designing.

Mechanical properties and cytocompatibility of oxygen-modified β-type Ti-Cr alloys for spinal fixation devices.

PubMed

Liu, Huihong; Niinomi, Mitsuo; Nakai, Masaaki; Cho, Ken; Narita, Kengo; Şen, Mustafa; Shiku, Hitoshi; Matsue, Tomokazu

2015-01-01

In this study, various amounts of oxygen were added to Ti-10Cr (mass%) alloys. It is expected that a large changeable Young's modulus, caused by a deformation-induced ω-phase transformation, can be achieved in Ti-10Cr-O alloys by the appropriate oxygen addition. This "changeable Young's modulus" property can satisfy the otherwise conflicting requirements for use in spinal implant rods: high and low moduli are preferred by surgeons and patients, respectively. The influence of oxygen on the microstructures and mechanical properties of the alloys was examined, as well as the bending springback and cytocompatibility of the optimized alloy. Among the Ti-10Cr-O alloys, Ti-10Cr-0.2O (mass%) alloy shows the largest changeable Young's modulus following cold rolling for a constant reduction ratio. This is the result of two competing factors: increased apparent β-lattice stability and decreased amounts of athermal ω phase, both of which are caused by oxygen addition. The most favorable balance of these factors for the deformation-induced ω-phase transformation occurred at an oxygen concentration of 0.2mass%. Ti-10Cr-0.2O alloy not only exhibits high tensile strength and acceptable elongation, but also possesses a good combination of high bending strength, acceptable bending springback and great cytocompatibility. Therefore, Ti-10Cr-0.2O alloy is a potential material for use in spinal fixture devices. Copyright © 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

A comprehensive energy approach to predict fatigue life in CuAlBe shape memory alloy

NASA Astrophysics Data System (ADS)

Sameallah, S.; Legrand, V.; Saint-Sulpice, L.; Kadkhodaei, M.; Arbab Chirani, S.

2015-02-01

Stabilized dissipated energy is an effective parameter on the fatigue life of shape memory alloys (SMAs). In this study, a formula is proposed to directly evaluate the stabilized dissipated energy for different values of the maximum and minimum applied stresses, as well as the loading frequency, under cyclic tensile loadings. To this aim, a one-dimensional fully coupled thermomechanical constitutive model and a cycle-dependent phase diagram are employed to predict the uniaxial stress-strain response of an SMA in a specified cycle, including the stabilized one, with no need of obtaining the responses of the previous cycles. An enhanced phase diagram in which different slopes are defined for the start and finish of a backward transformation strip is also proposed to enable the capture of gradual transformations in a CuAlBe shape memory alloy. It is shown that the present approach is capable of reproducing the experimental responses of CuAlBe specimens under cyclic tensile loadings. An explicit formula is further presented to predict the fatigue life of CuAlBe as a function of the maximum and minimum applied stresses as well as the loading frequency. Fatigue tests are also carried out, and this formula is verified against the empirically predicted number of cycles for failure.

Method of increasing the phase stability and the compressive yield strength of uranium-1 to 3 wt. % zirconium alloy

DOEpatents

Anderson, Robert C.

1986-01-01

A uranium-1 to 3 wt. % zirconium alloy characterized by high strength, high ductility and stable microstructure is fabricated by an improved thermal mechanical process. A homogenous ingot of the alloy which has been reduced in thickness of at least 50% in the two-step forging operation, rolled into a plate with a 75% reduction and then heated in vacuum at a temperature of about 750.degree. to 850.degree. C. and then quenched in water is subjected to further thermal-mechanical operation steps to increase the compressive yield strength approximately 30%, stabilize the microstructure, and decrease the variations in mechanical properties throughout the plate is provided. These thermal-mechanical steps are achieved by cold rolling the quenched plate to reduce the thickness thereof about 8 to 12%, aging the cold rolled plate at a first temperature of about 325.degree. to 375.degree. C. for five to six hours and then aging the plate at a higher temperature ranging from 480.degree. to 500.degree. C. for five to six hours prior to cooling the billet to ambient conditions and sizing the billet or plate into articles provides the desired increase in mechanical properties and phase stability throughout the plate.

The effect of boron concentration on the structure and elastic properties of Ru-Ir alloys: first-principles calculations

NASA Astrophysics Data System (ADS)

Li, Xiaolong; Zhou, Zhaobo; Hu, Riming; Zhou, Xiaolong; Yu, Jie; Liu, Manmen

2018-04-01

The Phase stability, electronic structure, elastic properties and hardness of Ru-Ir alloys with different B concentration were investigated by first principles calculations. The calculated formation enthaplies and cohesive energies show that these compounds are all thermodynamically stable. Information on electronic structure indicates that they possess metallic characteristic and Ru-Ir-B alloys were composed of the Ru-B and Ir-B covalent bond. The elastic properties were calculated, which included bulk modulus, shear modulus, Young’s modulus, Poisson’s ratio and hardness. The calculated results reveal that the plastic of Ru-Ir-B alloys increase with the increase of the content of B atoms, but the hardness of Ru-Ir-B alloys have no substantial progress with the increase of the content of B atoms. However, it is interesting that the hardness of the Ru-Ir-B compound was improved obviously as the B content was higher than 18 atoms because of a phase structure transition.

Grain boundary engineering to control the discontinuous precipitation in multicomponent U10Mo alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Devaraj, Arun; Kovarik, Libor; Kautz, Elizabeth

Grain boundaries in metallic alloys often play a crucial role, not only in determining the mechanical properties or thermal stability of alloys, but also in dictating the phase transformation kinetics during thermomechanical processing. We demonstrate that locally stabilized structure and compositional segregation at grain boundaries—“grain boundary complexions”—in a complex multicomponent alloy can be modified to influence the kinetics of cellular transformation during subsequent thermomechanical processing. Using aberration-corrected scanning transmission electron microscopy and atom probe tomography analysis of a metallic nuclear fuel highly relevant to worldwide nuclear non-proliferation efforts —uranium-10 wt% molybdenum (U-10Mo) alloy, new evidence for the existence of grainmore » boundary complexion is provided. We then modified the concentration of impurities dissolved in Υ-UMo grain interiors and/or segregated to Υ-UMo grain boundaries by changing the homogenization treatment, and these effects were used used to retard the kinetics of cellular transformation during subsequent sub-eutectoid annealing in this U-10-Mo alloy during sub-eutectoid annealing. Thus, this work provided insights on tailoring the final microstructure of the U-10Mo alloy, which can potentially improve the irradiation performance of this important class of alloy fuels.« less

Effects of cobalt on the microstructure of Udimet 700. M.S. Thesis Final Report

NASA Technical Reports Server (NTRS)

Engel, M. A.

1982-01-01

Cobalt, a critical and "strategic" alloying element in many superalloys, was systematically substituted by nickel in experimental alloys Udimet 700 containing 0.1, 4.3, 8.6, 12.8 and the standard 17.0 wt.% cobalt. Electrolytic and chemical extraction techniques, X-ray diffraction, scanning electron and optical microscopy were used for the microstructural studies. The total weight fraction of gamma' was not significantly affected by the cobalt content, although a difference in the size and quantities of the primary and secondary gamma' phases was apparent. The lattice parameters of the gamma' were found to increase with increasing cobalt content while the lattice mismatch between the gamma matrix and gamma' phases decreased. Other significant effects of cobalt on the weight fraction, distribution and formation of the carbide and boride phases as well as the relative stability of the experimental alloys during long-time aging are also discussed.

Metallurgical reactions in two industrially strip-cast aluminum-manganese alloys

NASA Astrophysics Data System (ADS)

Hansen, V.; Andersson, B.; Tibballs, J. E.; Gjønnes, J.

1995-08-01

Precipitation, phase transformation, subgrain growth, and recrystallization that occur during heat treatment of two strip-cast, cold-rolled, high manganese aluminum alloys have been studied mainly by transmission electron microscopy (TEM). The alloys differ in silicon content. The isothermal heat treatments have been performed in a salt bath at temperatures between 330 °C and 530 °C for times up to 1000 hours. Size distributions for each type of secondary particle have been determined. After short annealing times, small quasicrystals precipitated and subsequently transformed to α phase. The densities of these precipitates controlled dislocation movement and regulated subgrain sizes. Prolonged heating resulted in peritectoid reactions to Al6Mn or Al12Mn. Recrystallization, which is associated with the formation of Al12Mn, is advanced by increasing the silicon content; the nucleation and growth of Al12Mn occurs only at the expense of other phases that stabilize the subgrain network.

Resistance of a gamma/gamma prime - delta directionally solidified eutectic alloy to recrystallization

NASA Technical Reports Server (NTRS)

Tewari, S. N.; Scheuermann, C. M.; Andrews, C. W.

1975-01-01

The lamellar directionally solidified nickel-base eutectic alloy gamma/gamma prime-delta has potential as an advanced turbine blade material. The microstructural stability of this alloy was investigated. Specimens were plastically deformed by uniform compression or Brinell indentation, then annealed between 705 and 1120 C. Microstructural changes observed after annealing included gamma prime coarsening, pinch-off and spheroidization of delta lamellae, and the appearance of an unidentified blocky phase in surface layers. All but the first of these was localized in severely deformed regions, suggesting that microstructural instability is not a serious problem in the use of this alloy.

The metallurgy of high temperature alloys

NASA Technical Reports Server (NTRS)

Tien, J. K.; Purushothaman, S.

1976-01-01

Nickel-base, cobalt-base, and high nickel and chromium iron-base alloys are dissected, and their microstructural and chemical components are assessed with respect to the various functions expected of high temperature structural materials. These functions include the maintenance of mechanical integrity over the strain-rate spectrum from creep resistance through fatigue crack growth resistance, and such alloy stability expectations as microstructural coarsening resistance, phase instability resistance and oxidation and corrosion resistance. Special attention will be given to the perennial conflict and trade-off between strength, ductility and corrosion and oxidation resistance. The newest developments in the constitution of high temperature alloys will also be discussed, including aspects relating to materials conservation.

Designing shape-memory Heusler alloys from first-principles

NASA Astrophysics Data System (ADS)

Siewert, M.; Gruner, M. E.; Dannenberg, A.; Chakrabarti, A.; Herper, H. C.; Wuttig, M.; Barman, S. R.; Singh, S.; Al-Zubi, A.; Hickel, T.; Neugebauer, J.; Gillessen, M.; Dronskowski, R.; Entel, P.

2011-11-01

The phase diagrams of magnetic shape-memory Heusler alloys, in particular, ternary Ni-Mn-Z and quarternary (Pt, Ni)-Mn-Z alloys with Z = Ga, Sn, have been addressed by density functional theory and Monte Carlo simulations. Finite temperature free energy calculations show that the phonon contribution stabilizes the high-temperature austenite structure while at low temperatures magnetism and the band Jahn-Teller effect favor the modulated monoclinic 14M or the nonmodulated tetragonal structure. The substitution of Ni by Pt leads to a series of magnetic shape-memory alloys with very similar properties to Ni-Mn-Ga but with a maximal eigenstrain of 14%.

Tailoring the magnetostructural transition and magnetocaloric properties around room temperature: In-doped Ni-Mn-Ga alloys

NASA Astrophysics Data System (ADS)

Zhang, Linfang; Wang, Jingmin; Hua, Hui; Jiang, Chengbao; Xu, Huibin

2014-09-01

Some off-stoichiometric Ni-Mn-Ga alloys undergo a coupled magnetostructural transition from ferromagnetic martensite to paramagnetic austenite, giving rise to the large magnetocaloric effect. However, the magnetostructural transitions of Ni-Mn-Ga alloys generally take place at temperatures higher than room temperature. Here, we report that by the partial substitution of In for Ga, the paramagnetic austenite phase is well stabilized, and the magnetostructural transition can be tailored around room temperature. Sizable magnetic entropy change and adiabatic temperature change were induced by magnetic field change in the vicinity of the magnetostructural transition of the In-doped Ni-Mn-Ga alloys.

Stabilizing Superionic-Conducting Structures via Mixed-Anion Solid Solutions of Monocarba- closo -borate Salts

DOE PAGES

Tang, Wan Si; Yoshida, Koji; Soloninin, Alexei V.; ...

2016-09-01

Solid lithium and sodium closo-polyborate-based salts are capable of superionic conductivities surpassing even liquid electrolytes, but often only at above-ambient temperatures where their entropically driven disordered phases become stabilized. Here we show by X-ray diffraction, quasielastic neutron scattering, differential scanning calorimetry, NMR, and AC impedance measurements that by introducing 'geometric frustration' via the mixing of two different closo-polyborate anions, namely, 1-CB 9H 10- and CB 11H 12-, to form solid-solution anion-alloy salts of lithium or sodium, we can successfully suppress the formation of possible ordered phases in favor of disordered, fast-ion-conducting alloy phases over a broad temperature range from subambientmore » to high temperatures. Finally, this result exemplifies an important advancement for further improving on the remarkable conductive properties generally displayed by this class of materials and represents a practical strategy for creating tailored, ambient-temperature, solid, superionic conductors for a variety of upcoming all-solid-state energy devices of the future.« less

Microstructure and degradation performance of biodegradable Mg-Si-Sr implant alloys.

PubMed

Gil-Santos, Andrea; Marco, Iñigo; Moelans, Nele; Hort, Norbert; Van der Biest, Omer

2017-02-01

In this work the microstructure and degradation behavior of several as-cast alloy compositions belonging to the Mg rich corner of the Mg-Si-Sr system are presented and related. The intermetallic phases are identified and analyzed describing the microstructure evolution during solidification. It is intended in this work to obtain insight in the behavior of the ternary alloys in in vitro tests and to analyze the degradation behavior of the alloys under physiologically relevant conditions. The as-cast specimens have been exposed to immersion tests, both mass loss (ML) and potentiodynamic polarization (PDP). The degradation rate (DR) have been assessed and correlated to microstructure features, impurity levels and alloy composition. The initial reactions resulted to be more severe while the degradation stabilizes with time. A higher DR is related with a high content of the Mg 17 Sr 2 phase and with the presence of coarse particles of the intermetallics Mg 2 Si, MgSiSr and MgSi 2 Sr. Specimens with a higher DR typically have higher levels of impurities and alloy contents. Copyright © 2016 Elsevier B.V. All rights reserved.

Anisotropy of the ferromagnetic L10 phase in the Mn-Al-C alloys induced by high-pressure spark plasma sintering

NASA Astrophysics Data System (ADS)

Tyrman, Muriel; Ahmim, Smail; Pasko, Alexandre; Etgens, Victor; Mazaleyrat, Frédéric; Quetel-Weben, Simon; Perrière, Loïc; Guillot, Ivan

2018-05-01

The metastable τ-phase of MnAl equi-atomic compound belongs to a family of ferromagnetic alloys with L10 crystal structure. Stabilization of the phase by adding 2 at. % using manganese carbide (Mn23C6) enhances the magnetization in relation with the increase in lattice volume. It is thus a promising candidate for rare-earth-free permanent magnets. Coercivity of Mn-Al-C alloys being still weak, there is an interest to see to which extend sintering/transformation of the ɛ-phase by Spark Plasma Sintering (SPS) can increase the coercivity and the anisotropy. The structural and the magnetic properties were studied for samples sintered at 550 °C under uniaxial pressure of 100, 200, 300 and 400 MPa. Coercivity, remanence and anistotropy appears with the sintering pressure. The high pressure applied while sintering produces preferential orientation of the flake-shaped grains which influences the remanence.

Flow microcapillary plasma mass spectrometry-based investigation of new Al-Cr-Fe complex metallic alloy passivation.

PubMed

Ott, N; Beni, A; Ulrich, A; Ludwig, C; Schmutz, P

2014-03-01

Al-Cr-Fe complex metallic alloys are new intermetallic phases with low surface energy, low friction, and high corrosion resistance down to very low pH values (0-2). Flow microcapillary plasma mass spectrometry under potentiostatic control was used to characterize the dynamic aspect of passivation of an Al-Cr-Fe gamma phase in acidic electrolytes, allowing a better insight on the parameters inducing chemical stability at the oxyhydroxide-solution interface. In sulfuric acid pH 0, low element dissolution rates (in the µg cm(-2) range after 60 min) evidenced the passive state of the Al-Cr-Fe gamma phase with a preferential over-stoichiometric dissolution of Al and Fe cations. Longer air-aging was found to be beneficial for stabilizing the passive film. In chloride-containing electrolytes, ten times higher Al dissolution rates were detected at open-circuit potential (OCP), indicating that the spontaneously formed passive film becomes unstable. However, electrochemical polarization at low passive potentials induces electrical field generated oxide film modification, increasing chemical stability at the oxyhydroxide-solution interface. In the high potential passive region, localized attack is initiated with subsequent active metal dissolution. © 2013 Published by Elsevier B.V.

Morphological instabilities of rapidly solidified binary alloys under weak flow

NASA Astrophysics Data System (ADS)

Kowal, Katarzyna; Davis, Stephen

2017-11-01

Additive manufacturing, or three-dimensional printing, offers promising advantages over existing manufacturing techniques. However, it is still subject to a range of undesirable effects. One of these involves the onset of flow resulting from sharp thermal gradients within the laser melt pool, affecting the morphological stability of the solidified alloys. We examine the linear stability of the interface of a rapidly solidifying binary alloy under weak boundary-layer flow by performing an asymptotic analysis for a singular perturbation problem that arises as a result of departures from the equilibrium phase diagram. Under no flow, the problem involves cellular and pulsatile instabilities, stabilised by surface tension and attachment kinetics. We find that travelling waves appear as a result of flow and we map out the effect of flow on two absolute stability boundaries as well as on the cells and solute bands that have been observed in experiments under no flow. This work is supported by the National Institute of Standards and Technology [Grant Number 70NANB14H012].

Influence of Annealing on Microstructure and Mechanical Properties of a Nanocrystalline CrCoNi Medium-Entropy Alloy

PubMed Central

Schuh, Benjamin; Völker, Bernhard; Todt, Juraj; Kormout, Karoline S.; Schell, Norbert; Hohenwarter, Anton

2018-01-01

An equiatomic CrCoNi medium-entropy alloy was subjected to high-pressure torsion. This process led to a refinement of the microstructure to a grain size of about 50 nm, combined with a strong increase in the materials hardness. Subsequently, the thermodynamic stability of the medium entropy alloy was evaluated by isothermal and isochronal heat treatments. Annealed samples were investigated by scanning and transmission electron microscopy as well as X-ray diffraction, and were subjected to tensile tests to establish microstructure-property relationships. Furthermore, a comparison of mechanical properties with a grade 316L stainless steel was performed in order to evaluate if the CrCoNi alloy is competitive with commercially available structural materials in the nanocrystalline state. A minority phase embedded in the face-centered cubic matrix of the CrCoNi alloy could be observed in multiple annealed states, as well as the as-received and high-pressure torsion processed material. For 200 h of annealing at 500 °C, it was determined that the minority phase has a hexagonal-closed-packed crystal structure. A possible explanation for the formation of the phase is a preferential segregation of Co to stacking faults. PMID:29695142

The Effect of Electronic Structure on the Phases Present in High Entropy Alloys

PubMed Central

Leong, Zhaoyuan; Wróbel, Jan S.; Dudarev, Sergei L.; Goodall, Russell; Todd, Iain; Nguyen-Manh, Duc

2017-01-01

Multicomponent systems, termed High Entropy Alloys (HEAs), with predominantly single solid solution phases are a current area of focus in alloy development. Although different empirical rules have been introduced to understand phase formation and determine what the dominant phases may be in these systems, experimental investigation has revealed that in many cases their structure is not a single solid solution phase, and that the rules may not accurately distinguish the stability of the phase boundaries. Here, a combined modelling and experimental approach that looks into the electronic structure is proposed to improve accuracy of the predictions of the majority phase. To do this, the Rigid Band model is generalised for magnetic systems in prediction of the majority phase most likely to be found. Good agreement is found when the predictions are confronted with data from experiments, including a new magnetic HEA system (CoFeNiV). This also includes predicting the structural transition with varying levels of constituent elements, as a function of the valence electron concentration, n, obtained from the integrated spin-polarised density of states. This method is suitable as a new predictive technique to identify compositions for further screening, in particular for magnetic HEAs. PMID:28059106

The Effect of Electronic Structure on the Phases Present in High Entropy Alloys.

PubMed

Leong, Zhaoyuan; Wróbel, Jan S; Dudarev, Sergei L; Goodall, Russell; Todd, Iain; Nguyen-Manh, Duc

2017-01-06

Multicomponent systems, termed High Entropy Alloys (HEAs), with predominantly single solid solution phases are a current area of focus in alloy development. Although different empirical rules have been introduced to understand phase formation and determine what the dominant phases may be in these systems, experimental investigation has revealed that in many cases their structure is not a single solid solution phase, and that the rules may not accurately distinguish the stability of the phase boundaries. Here, a combined modelling and experimental approach that looks into the electronic structure is proposed to improve accuracy of the predictions of the majority phase. To do this, the Rigid Band model is generalised for magnetic systems in prediction of the majority phase most likely to be found. Good agreement is found when the predictions are confronted with data from experiments, including a new magnetic HEA system (CoFeNiV). This also includes predicting the structural transition with varying levels of constituent elements, as a function of the valence electron concentration, n, obtained from the integrated spin-polarised density of states. This method is suitable as a new predictive technique to identify compositions for further screening, in particular for magnetic HEAs.

Mechanical properties, microstructure and thermal stability of a nanocrystalline CoCrFeMnNi high-entropy alloy after severe plastic deformation

DOE PAGES

Schuh, B.; Mendez-Martin, F.; Völker, B.; ...

2015-06-24

An equiatomic CoCrFeMnNi high-entropy alloy (HEA), produced by arc melting and drop casting, was subjected to severe plastic deformation (SPD) using high-pressure torsion. This process induced substantial grain refinement in the coarse-grained casting leading to a grain size of approximately 50 nm. As a result, strength increased significantly to 1950 MPa, and hardness to similar to 520 MV. Analyses using transmission electron microscopy (TEM) and 3-dimensional atom probe tomography (3D-APT) showed that, after SPD, the alloy remained a true single-phase solid solution down to the atomic scale. Subsequent investigations characterized the evolution of mechanical properties and microstructure of this nanocrystallinemore » HEA upon annealing. Isochronal (for 1 h) and isothermal heat treatments were performed followed by microhardness and tensile tests. The isochronal anneals led to a marked hardness increase with a maximum hardness of similar to 630 HV at about 450 degrees C before softening set in at higher temperatures. The isothermal anneals, performed at this peak hardness temperature, revealed an additional hardness rise to a maximum of about 910 MV after 100 h. To clarify this unexpected annealing response, comprehensive microstructural analyses were performed using TEM and 3D-APT. New nano-scale phases were observed to form in the originally single-phase HEA. After times as short as 5 min at 450 degrees C, a NiMn phase and Cr-rich phase formed. With increasing annealing time, their volume fractions increased and a third phase, FeCo, also formed. It appears that the surfeit of grain boundaries in the nanocrystalline HEA offer many fast diffusion pathways and nucleation sites to facilitate this phase decomposition. The hardness increase, especially for the longer annealing times, can be attributed to these nano-scaled phases embedded in the HEA matrix. The present results give new valuable insights into the phase stability of single-phase high-entropy alloys as well as the mechanisms controlling the mechanical properties of nanostructured multiphase composites. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd.« less

Effects of alloy chemistry on the electrochemical and hydriding properties of nickel-substituted lanthanum nickel

NASA Astrophysics Data System (ADS)

Witham, Charles Kincaid

The primary goal of this work was to verify the hypothesis that alloying LaNi5 with ternary elements that have a large heat of formation with La (and secondarily, with Ni) would slow the kinetics of metal (La) atom diffusion. This would have the effect of stabilizing the Haucke phase crystal structure of LaNi5 during electrochemical and gas-phase hydrogen absorption/desorption cycling, and extending the material's useful lifetime. To test this hypothesis, I prepared a variety of single-phase alloys of composition LaNi5-xMx, 0 ≤ x ≤ 0.5, M∈ {Al, Si, Ga, Ge, In, Sn}. Each alloy was annealed to insure equilibrium starting conditions. The lifetimes of these alloys were tested by charge-discharge cycling as the anode of an alkaline Ni-MH rechargeable cell. By characterizing the lifetimes of the alloys as an exponential capacity decay, I was able to determine a trend between the capacity decay and the heat of formation of an average 'B' element with La. The alloys were further characterized by obtaining gas-phase isotherms and, in the case of the Gex alloys, the thermodynamics of metal hydride formation and decomposition. X-ray diffraction was used to measure the effect of substitution on the alloy and its hydride phase. By examining the data obtained at Caltech as well as data published in the literature, several trends were noted. There is a fairly linear relationship between the solute's expansion of the LaNi5 unit cell and its radius. The total volume expansion an alloy experienced upon absorption of hydrogen was found to decrease with substituted composition. The discrete lattice expansion of Gex alloys was found to decrease substantially for 0 < x < 0.2, but subsequent substitution had little effect on the volume expansion. The electrode electrochemical kinetice of charge transfer were investigated for each MH alloy. Measurements of the charge transfer exchange current by micropolarization and AC impedance were similar, while those measured by Tafel polarization did not have a clear relationship.

Tailoring microstructure of Mg–Zn–Y alloys with quasicrystal and related phases for high mechanical strength

PubMed Central

Singh, Alok

2014-01-01

The occurrence of a stable icosahedral (i-) phase, which is quasicrystalline with an icosahedral (fivefold) symmetry, on the equilibrium phase diagram of Mg–Zn–RE (RE = Y, Gd, Tb, Dy, Ho or Er) alloys opened up an interesting possibility of developing a new series of magnesium alloys for structural applications. Alloys based on the i-phase have been studied for the past 14 years. Ultra-high strengths combined with good ductility have been shown. Here we show two strategies for tailoring microstructures for very high strengths in Mg–Zn–Y alloys. One of them involves strengthening by a fine distribution of rod-like precipitates, where the matrix grain size is not critical. The alloy is solutionized at a high temperature of 480 °C to dissolve a large part of the i-phase, followed by a high temperature extrusion (∼430 °C) and a low temperature ageing to reprecipitate phases with fine size distribution. At first, phase transformations involved in this procedure are described. The closeness of the structure of the precipitates to the i-phase is brought out. By this procedure, tensile yield strengths of over 370 MPa are obtained in grain sizes of 20 μm. In another strategy, the alloys are chill cast and then extruded at low temperatures of about 250 °C. Ultra-fine grains are produced by enhanced recrystallization due to presence of the i-phase. At the same time nano-sized precipitates are precipitated dynamically during extrusion from the supersaturated matrix. Ultra-high tensile strengths of up to 400 MPa are obtained in combination with ductility of 12 to 16%. Analysis of the microstructure shows that strengthening by the i-phase occurs by enhanced recrystallization during extrusion. It produces ultra-fine grain sizes to give very high strengths, and moderate texture for good ductility. Fine distribution of the i-phase and precipitates contribute to strengthening and provide microstructre stability. Ultra-high strength over a very wide range of grain sizes is thus demonstrated, by utilizing different strengthening effects. PMID:27877701

Alloys for hydrogen storage in nickel/hydrogen and nickel/metal hydride batteries

NASA Technical Reports Server (NTRS)

Anani, Anaba; Visintin, Arnaldo; Petrov, Konstantin; Srinivasan, Supramaniam; Reilly, James J.; Johnson, John R.; Schwarz, Ricardo B.; Desch, Paul B.

1993-01-01

Since 1990, there has been an ongoing collaboration among the authors in the three laboratories to (1) prepare alloys of the AB(sub 5) and AB(sub 2) types, using arc-melting/annealing and mechanical alloying/annealing techniques; (2) examine their physico-chemical characteristics (morphology, composition); (3) determine the hydrogen absorption/desorption behavior (pressure-composition isotherms as a function of temperature); and (4) evaluate their performance characteristics as hydride electrodes (charge/discharge, capacity retention, cycle life, high rate capability). The work carried out on representative AB(sub 5) and AB(sub 2) type modified alloys (by partial substitution or with small additives of other elements) is presented. The purpose of the modification was to optimize the thermodynamics and kinetics of the hydriding/dehydriding reactions and enhance the stabilities of the alloys for the desired battery applications. The results of our collaboration, to date, demonstrate that (1) alloys prepared by arc melting/annealing and mechanical alloying/annealing techniques exhibit similar morphology, composition and hydriding/dehydriding characteristics; (2) alloys with the appropriate small amounts of substituent or additive elements: (1) retain the single phase structure, (2) improve the hydriding/dehydriding reactions for the battery applications, and (3) enhance the stability in the battery environment; and (3) the AB(sub 2) type alloys exhibit higher energy densities than the AB(sub 5) type alloys but the state-of-the-art, commercialized batteries are predominantly manufactured using Ab(sub 5) type alloys.

Durable pd-based alloy and hydrogen generation membrane thereof

DOEpatents

Benn, Raymond C.; Opalka, Susanne M.; Vanderspurt, Thomas Henry

2010-02-02

A durable Pd-based alloy is used for a H.sub.2-selective membrane in a hydrogen generator, as in the fuel processor of a fuel cell plant. The Pd-based alloy includes Cu as a binary element, and further includes "X", where "X" comprises at least one metal from group "M" that is BCC and acts to stabilize the .beta. BCC phase for stability during operating temperatures. The metal from group "M" is selected from the group consisting of Fe, Cr, Nb, Ta, V, Mo, and W, with Nb and Ta being most preferred. "X" may further comprise at least one metal from a group "N" that is non-BCC, preferably FCC, that enhances other properties of the membrane, such as ductility. The metal from group "N" is selected from the group consisting of Ag, Au, Re, Ru, Rh, Y, Ce, Ni, Ir, Pt, Co, La and In. The at. % of Pd in the binary Pd--Cu alloy ranges from about 35 at. % to about 55 at. %, and the at. % of "X" in the higher order alloy, based on said binary alloy, is in the range of about 1 at. % to about 15 at. %. The metals are selected according to a novel process.

Detection and quantification of solute clusters in a nanostructured ferritic alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miller, Michael K.; Larson, David J.; Reinhard, D. A.

2014-12-26

A series of simulated atom probe datasets were examined with a friends-of-friends method to establish the detection efficiency required to resolve solute clusters in the ferrite phase of a 14YWT nanostructured ferritic alloy. The size and number densities of solute clusters in the ferrite of the as-milled mechanically-alloyed condition and the stir zone of a friction stir weld were estimated with a prototype high-detection-efficiency (~80%) local electrode atom probe. High number densities, 1.8 × 10 24 m –3 and 1.2 × 10 24 m –3, respectively of solute clusters containing between 2 and 9 solute atoms of Ti, Y andmore » O and were detected for these two conditions. Furthermore, these results support first principle calculations that predicted that vacancies stabilize these Ti–Y–O– clusters, which retard diffusion and contribute to the excellent high temperature stability of the microstructure and radiation tolerance of nanostructured ferritic alloys.« less

Ab initio simulations of iron-nickel alloys at Earth's core conditions

NASA Astrophysics Data System (ADS)

Côté, Alexander S.; Vočadlo, Lidunka; Brodholt, John P.

2012-09-01

We report ab initio density functional theory calculations on iron-nickel (FeNi) alloys at conditions representative of the Earth's inner core. We test different concentrations of Ni, up to ∼39 wt% using ab initio lattice dynamics, and investigate the thermodynamic and vibrational stability of the three candidate crystal structures (bcc, hcp and fcc). First of all, at inner core pressures, we find that pure Fe transforms from the hcp to the fcc phase at around 6000 K. Secondly, in agreement with low pressure experiments on Fe-Ni alloys, we find the fcc structure is stabilised by the incorporation of Ni under core pressures and temperatures. Our results show that the fcc structure may, therefore, be stable under core conditions depending on the temperature in the inner core and the Ni content. Lastly, we find that within the quasi-harmonic approximation, there is no stability field for FeNi alloys in the bcc structure under core conditions.

Polymorphism in a high-entropy alloy

DOE PAGES

Zhang, Fei; Wu, Yuan; Lou, Hongbo; ...

2017-06-01

Polymorphism, which describes the occurrence of different lattice structures in a crystalline material, is a critical phenomenon in materials science and condensed matter physics. Recently, configuration disorder was compositionally engineered into single lattices, leading to the discovery of high-entropy alloys and high-entropy oxides. For these novel entropy-stabilized forms of crystalline matter with extremely high structural stability, is polymorphism still possible? Here by employing in situ high-pressure synchrotron radiation X-ray diffraction, we reveal a polymorphic transition from face-centred-cubic (fcc) structure to hexagonal-close-packing (hcp) structure in the prototype CoCrFeMnNi high-entropy alloy. The transition is irreversible, and our in situ high-temperature synchrotron radiationmore » X-ray diffraction experiments at different pressures of the retained hcp high-entropy alloy reveal that the fcc phase is a stable polymorph at high temperatures, while the hcp structure is more thermodynamically favourable at lower temperatures. Lastly, as pressure is increased, the critical temperature for the hcp-to-fcc transformation also rises.« less

As-cast uranium-molybdenum based metallic fuel candidates and the effects of carbon addition

NASA Astrophysics Data System (ADS)

Blackwood, Van Stephen

The objective of this research was to develop and recommend a metallic nuclear fuel candidate that lowered the onset temperature of gamma phase formation comparable or better than the uranium-10 wt. pct. molybdenum alloy, offered a solidus temperature as high or higher than uranium-10 wt. pct. zirconium (1250°C), and stabilized the fuel phase against interaction with iron and steel at least as much as uranium-10 wt. pct. zirconium stabilized the fuel phase. Two new as-cast alloy compositions were characterized to assess thermal equilibrium boundaries of the gamma phase field and the effect of carbon addition up to 0.22 wt. pct. The first system investigated was uranium- x wt. pct. M where x ranged between 5-20 wt. pct. M was held at a constant ratio of 50 wt. pct. molybdenum, 43 wt. pct. titanium, and 7 wt. pct. zirconium. The second system investigated was the uranium-molybdenum-tungsten system in the range 90 wt. pct. uranium - 10 wt. pct. molybdenum - 0 wt. pct. tungsten to 80 wt. pct. uranium - 10 wt. pct. molybdenum - 10 wt. pct. tungsten. The results showed that the solidus temperature increased with increased addition of M up to 12.5 wt. pct. for the uranium-M system. Alloy additions of titanium and zirconium were removed from uranium-molybdenum solid solution by carbide formation and segregation. The uranium-molybdenum-tungsten system solidus temperature increased to 1218°C at 2.5 wt. pct. with no significant change in temperature up to 5 wt. pct. tungsten suggesting the solubility limit of tungsten had been reached. Carbides were observed with surrounding areas enriched in both molybdenum and tungsten. The peak solidus temperatures for the alloy systems were roughly the same at 1226°C for the uranium-M system and 1218°C for the uranium-molybdenum-tungsten system. The uranium-molybdenum-tungsten system required less alloy addition to achieve similar solidus temperatures as the uranium-M system.

Optimized Gen-II FeCrAl cladding production in large quantity for campaign testing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yamamoto, Yukinori; Sun, Zhiqian; Pint, Bruce A.

2016-06-03

There are two major objectives in this report; (1) to optimize microstructure control of ATF FeCrAl alloys during tube drawing processes, and (2) to provide an update on the progress of ATF FeCrAl tube production via commercial manufacturers. Experimental efforts have been made to optimize the process parameters balancing the tube fabricability, especially for tube drawing processes, and microstructure control of the final tube products. Lab-scale sheet materials of Gen II FeCrAl alloys (Mo-containing and Nb-containing FeCrAl alloys) were used in the study, combined with a stepwise warm-rolling process and intermediate annealing, aiming to simulate the tube drawing process inmore » a commercial tube manufacturer. The intermediate annealing at 650ºC for 1h was suggested for the tube-drawing process of Mo-containing FeCrAl alloys because it successfully softened the material by recovering the work hardening introduced through the rolling step, without inducing grain coarsening due to recrystallization. The final tube product is expected to have stabilized deformed microstructure providing the improved tensile properties with sufficient ductility. Optimization efforts on Nb-containing FeCrAl alloys focused on the effect of alloying additions and annealing conditions on the stability of deformed microstructure. Relationships between the second-phase precipitates (Fe 2Nb-Laves phase) and microstructure stability are discussed. FeCrAl tube production through commercial tube manufacturers is currently in progress. Three different manufacturers, Century Tubes, Inc. (CTI), Rhenium Alloys, Inc. (RAI), and Superior Tube Company, Inc. (STC), are providing capabilities for cold-drawing, warm-drawing, and HPTR cold-pilgering, respectively. The first two companies are currently working on large quantity tube production (expected 250 ft length) of Gen I model FeCrAl alloy (B136Y3, at CTI) and Gen II (C35M4, at RAI), with the process parameters obtained from the experimental efforts. The expected delivery dates are at the end of July, 2016, and the middle of June, 2016, respectively. Tube production at STC would be the first attempt to apply cold-pilgering to the FeCrAl alloys. Communication has been initiated, and the materials have been machined for the cold-pilgering process.« less

Method for residual stress relief and retained austenite destabilization

DOEpatents

Ludtka, Gerard M.

2004-08-10

A method using of a magnetic field to affect residual stress relief or phase transformations in a metallic material is disclosed. In a first aspect of the method, residual stress relief of a material is achieved at ambient temperatures by placing the material in a magnetic field. In a second aspect of the method, retained austenite stabilization is reversed in a ferrous alloy by applying a magnetic field to the alloy at ambient temperatures.

Directionally solidified iron-base eutectic alloys

NASA Technical Reports Server (NTRS)

Tewari, S. N.

1976-01-01

Pseudobinary eutectic alloys with nominal compositions of Fe-25Ta-22Ni-10Cr and Fe-15.5Nb-14.5Ni-6.0Cr were directionally solidified at 0.5 centimeter per hour. Their microstructure consisted of the fcc, iron solid-solution, matrix phase reinforced by about 41-volume-percent, hcp, faceted Fe2Ta fibers and 41-volume-percent, hcp, Fe2Nb lamellae for the tantalum- and niobium-containing alloys, respectively. The microstructural stability under thermal cycling and the temperature dependence of tensile properties were investigated. These alloys showed low elevated-temperature strength and were not considered suitable for application in aircraft-gas-turbine blades although they may have applicability as vane materials.

High Temperature Stability of Dissimilar Metal Joints in Fission Surface Power Systems

NASA Technical Reports Server (NTRS)

Locci, Ivan E.; Nesbitt, James A.; Ritzert, Frank J.; Bowman, Cheryl L.

2007-01-01

Future generations of power systems for spacecraft and lunar surface systems will likely require a strong dependence on nuclear power. The design of a space nuclear power plant involves integrating together major subsystems with varying materia1 requirements. Refractory alloys are repeatedly considered for major structural components in space power reactor designs because refractory alloys retain their strength at higher temperatures than other classes of metals. The relatively higher mass and lower ductility of the refractory alloys make them less attractive for lower temperature subsystems in the power plant such as the power conversion system. The power conversion system would consist more likely of intermediate temperature Ni-based superalloys. One of many unanswered questions about the use of refractory alloys in a space power plant is how to transition from the use of the structural refractory alloy to more traditional structural alloys. Because deleterious phases can form when complex alloys are joined and operated at elevated temperatures, dissimilar material diffusion analyses of refractory alloys and superalloys are needed to inform designers about options of joint temperature and operational lifetime. Combinations of four superalloys and six refractory alloys were bonded and annealed at 1150 K and 1300 K to examine diffusional interactions in this study. Joints formed through hot pressing and hot isostatic pressing were compared. Results on newer alloys compared favorably to historical data. Diffusional stability is promising for some combinations of Mo-Re alloys and superalloys at 1150 K, but it appears that lower joint temperatures would be required for other refractory alloy couples.

Design and development of NiTi-based precipitation-strengthened high-temperature shape memory alloys for actuator applications

NASA Astrophysics Data System (ADS)

Hsu, Derek Hsen Dai

As a vital constituent in the field of smart materials and structures, shape memory alloys (SMAs) are becoming ever-more important due to their wide range of commercial and industrial applications such as aircraft couplings, orthodontic wires, and eyeglasses frames. However, two major obstacles preventing SMAs from fulfilling their potential as excellent actuator materials are: 1) the lack of commercially-viable SMAs that operate at elevated temperatures, and 2) the degradation of mechanical properties and shape memory behavior due to thermal cyclic fatigue. This research utilized a thermodynamically-driven systems design approach to optimize the desired properties by controlling the microstructure and processing of high-temperature SMAs (HTSMAs). To tackle the two aforementioned problems with HTSMAs, the introduction of Ni2TiAl coherent nanoprecipitates in a Ni-Ti-Zr/Hf HTSMA matrix is hypothesized to strengthen the martensite phase while simultaneously increasing the transformation temperature. Differential scanning calorimetry (DSC) was used to determine the transformation temperatures and thermal cyclic stability of each alloy. Also, microstructural characterization was performed using X-ray diffraction (XRD), optical microscopy (OM), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and atom probe tomography (APT). Lastly, compression testing was used to assess the mechanical behavior of the alloys. From the investigation of the first set of Ni48.5Ti31.5-X Zr20AlX (X = 0, 1, 2, 3) prototype alloys, Al addition was found to decrease the transformation temperatures, decrease the thermal cyclic stability, but also increase the strength due to the nucleation and growth of embrittling NiTi2 and NiTiZr Laves phases. However, the anticipated Heusler phase precipitation did not occur. The next study focused on Ni50Ti30-XHf20Al X (X = 0, 1, 2, 3, 4, 5) prototype alloys which replaced Zr with Hf to avoid the formation of brittle Laves phases. Heusler precipitation was successfully demonstrated in the aged 4 and 5% Al alloys, but no transformation was detected. Finally, the last investigation explored the potential of high transformation temperatures in Ni50Ti25-XHf25AlX and Ni50Ti20-XHf30AlX (X = 0, 1, 2, 3, 4, 5) prototype alloys. The final design was narrowed down to a Ni 50Ti20Hf25Al5 alloy aged at 800°C that is expected to exhibit high transformation temperatures while concurrently strengthened by Heusler nanoprecipitates.

Grain boundary engineering to control the discontinuous precipitation in multicomponent U10Mo alloy

DOE PAGES

Devaraj, Arun; Kovarik, Libor; Kautz, Elizabeth; ...

2018-03-30

Here, we demonstrate here that locally stabilized structure and compositional segregation at grain boundaries in a complex multicomponent alloy can be modified using high temperature homogenization treatment to influence the kinetics of phase transformations initiating from grain boundaries during subsequent low temperature annealing. Using aberration-corrected scanning transmission electron microscopy and atom probe tomography of a model multicomponent metallic alloy —uranium-10 wt% molybdenum (U-10Mo) a nuclear fuel, that is highly relevant to worldwide nuclear non-proliferation efforts, we demonstrate the ability to change the structure and compositional segregation at grain boundary, which then controls the subsequent discontinuous precipitation kinetics during sub-eutectoid annealing.more » A change in grain boundary from one characterized by segregation of Mo and impurities at grain boundary to a phase boundary with a distinct U 2MoSi 2C wetting phase precipitates introducing Ni and Al rich interphase complexions caused a pronounced reduction in area fraction of subsequent discontinuous precipitation. The broader implication of this work is in highlighting the role of grain boundary structure and composition in metallic alloys on dictating the fate of grain boundary initiated phase transformations like discontinuous precipitation or cellular transformation. This work highlights a new pathway to tune the grain boundary structure and composition to tailor the final microstructure of multicomponent metallic alloys.« less

Grain boundary engineering to control the discontinuous precipitation in multicomponent U10Mo alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Devaraj, Arun; Kovarik, Libor; Kautz, Elizabeth

Here, we demonstrate here that locally stabilized structure and compositional segregation at grain boundaries in a complex multicomponent alloy can be modified using high temperature homogenization treatment to influence the kinetics of phase transformations initiating from grain boundaries during subsequent low temperature annealing. Using aberration-corrected scanning transmission electron microscopy and atom probe tomography of a model multicomponent metallic alloy —uranium-10 wt% molybdenum (U-10Mo) a nuclear fuel, that is highly relevant to worldwide nuclear non-proliferation efforts, we demonstrate the ability to change the structure and compositional segregation at grain boundary, which then controls the subsequent discontinuous precipitation kinetics during sub-eutectoid annealing.more » A change in grain boundary from one characterized by segregation of Mo and impurities at grain boundary to a phase boundary with a distinct U 2MoSi 2C wetting phase precipitates introducing Ni and Al rich interphase complexions caused a pronounced reduction in area fraction of subsequent discontinuous precipitation. The broader implication of this work is in highlighting the role of grain boundary structure and composition in metallic alloys on dictating the fate of grain boundary initiated phase transformations like discontinuous precipitation or cellular transformation. This work highlights a new pathway to tune the grain boundary structure and composition to tailor the final microstructure of multicomponent metallic alloys.« less

Structure of tetragonal martensite in the In95.42Cd4.58 cast alloy

NASA Astrophysics Data System (ADS)

Khlebnikova, Yu. V.; Egorova, L. Yu.; Rodionov, D. P.; Kazantsev, V. A.

2017-11-01

The structure of martensite in the In95.42Cd4.58 alloy has been studied by metallography, X-ray diffraction, dilatometry, and transmission electron microscopy. It has been shown that a massive structure built of colonies of tetragonal lamellar plates divided by a twin boundary {101}FCT is formed in the alloy under cooling below the martensite FCC → FCT transition temperature. The alloy recrystallizes after a cycle of FCT → FCC → FCT transitions with a decrease in the grain size by several times compared with the initial structure such fashion that the size of massifs and individual martensite lamella in the massif correlates with the change in the size of the alloy grain. Using thermal cycling, it has been revealed that the alloy tends to stabilize the high-temperature phase.

Stability of the high pressure phase Fe3S2 up to Earth's core pressures in the Fe-S-O and the Fe-S-Si systems

NASA Astrophysics Data System (ADS)

Zurkowski, C. C.; Chidester, B.; Davis, A.; Brauser, N.; Greenberg, E.; Prakapenka, V. B.; Campbell, A.

2017-12-01

Earth's core is comprised of an iron-nickel alloy that contains 5-15% of a light element component. The abundance and alloying capability of sulfur, silicon and oxygen in the bulk Earth make them important core alloy candidates; therefore, the high-pressure phase equilibria of the Fe-S-O and Fe-S-Si systems are relevant for understanding the possible chemistry of Earth's core. Previously, a Fe3S2 phase was recognized as a low-pressure intermediate phase in the Fe-FeS system that is stable from 14-21 GPa, but the structure of this phase has not been resolved. We report in-situ XRD and chemical analysis of recovered samples to further examine the stability and structure of Fe3S2 as it coexists with other phases in the Fe-S-O and Fe-S-Si systems. In situ high P-T synchrotron XRD experiments were conducted in the laser-heated diamond anvil cell to determine the equilibrium phases in Fe75S7O18 and Fe80S5Si15 compositions between 30 and 174 GPa and up to 3000 K. In the S,O-rich samples, an orthorhombic Fe3S2 phase coexists with hcp-Fe, Fe3S and FeO and undergoes two monoclinic distortions between 60 and 174 GPa. In the S,Si-rich samples, the orthorhombic Fe3S2 phase was observed up to 115 GPa. With increasing pressure, the Fe3S2 phase becomes stable to higher temperatures in both compositions, suggesting possible Fe3(S,O)2 or Fe3(S,Si)2 solid solutions. SEM analysis of a laser heated Fe75S7O18 sample recovered from 40 GPa and 1450 K confirms a Fe3(S,O)2 phase with O dissolved into the structure. Based on the current melting data in the Fe-S-O and Fe-S-Si systems, the Fe3(S,O)2 stability field intersects the solidus in the outer core and could be a possible liquidus phase in Fe,S,O-rich planetary cores, whereas Fe3S is the stable sulfide at outer core pressures in Fe,S,Si-rich systems.

Phase transformations in cast duplex stainless steels

NASA Astrophysics Data System (ADS)

Kim, Yoon-Jun

Duplex stainless steels (DSS) constitute both ferrite and austenite as a matrix. Such a microstructure confers a high corrosion resistance with favorable mechanical properties. However, intermetallic phases such as sigma (sigma) and chi (chi) can also form during casting or high-temperature processing and can degrade the properties of the DSS. This research was initiated to develop time-temperature-transformation (TTT) and continuous-cooling-transformation (CCT) diagrams of two types of cast duplex stainless steels, CD3MN (Fe-22Cr-5Ni-Mo-N) and CD3MWCuN (Fe-25Cr-7Ni-Mo-W-Cu-N), in order to understand the time and temperature ranges for intermetallic phase formation. The alloys were heat treated isothermally or under controlled cooling conditions and then characterized using conventional metallographic methods that included tint etching, and also using electron microscopy (SEM, TEM) and wavelength dispersive spectroscopy (WDS). The kinetics of intermetallic-phase (sigma + chi) formation were analyzed using the Johnson-Mehl-Avrami (JMA) equation in the case of isothermal transformations and a modified form of this equation in the case of continuous cooling transformations. The rate of intermetallic-phase formation was found to be much faster in CD3MWCuN than CD3MN due mainly to differences in the major alloying contents such as Cr, Ni and Mo. To examine in more detail the effects of these elements of the phase stabilities, a series of eight steel castings was designed with the Cr, Ni and Mo contents systematically varied with respect to the nominal composition of CD3MN. The effects of varying the contents of alloying additions on the formation of intermetallic phases were also studied computationally using the commercial thermodynamic software package, Thermo-Calc. In general, a was stabilized with increasing Cr addition and chi by increasing Mo addition. However, a delicate balance among Ni and other minor elements such as N and Si also exists. Phase equilibria in DSS can be affected by local composition fluctuations in the cast alloy. This may cause discrepancy between thermodynamic prediction and experimental observation.

Effect of preliminary thermal treatment on decomposition kinetics of austenite in low-alloyed pipe steel in intercritical temperature interval

NASA Astrophysics Data System (ADS)

Makovetskii, A. N.; Tabatchikova, T. I.; Yakovleva, I. L.; Tereshchenko, N. A.; Mirzaev, D. A.

2013-06-01

The decomposition kinetics of austenite that appears in the 13KhFA low-alloyed pipe steel upon heating the samples in an intercritical temperature interval (ICI) and exposure for 5 or 30 min has been studied by the method of high-speed dilatometry. The results of dilatometry are supplemented by the microstructure analysis. Thermokinetic diagrams of the decomposition of the γ phase are represented. The conclusion has been drawn that an increase in the duration of exposure in the intercritical interval leads to a significant increase in the stability of the γ phase.

Development of a Knowledge Base of Ti-Alloys From First-Principles and Thermodynamic Modeling

NASA Astrophysics Data System (ADS)

Marker, Cassie

An aging population with an active lifestyle requires the development of better load-bearing implants, which have high levels of biocompatibility and a low elastic modulus. Titanium alloys, in the body centered cubic phase, are great implant candidates, due to their mechanical properties and biocompatibility. The present work aims at investigating the thermodynamic and elastic properties of bcc Tialloys, using the integrated first-principles based on Density Functional Theory (DFT) and the CALculation of PHAse Diagrams (CALPHAD) method. The use of integrated first-principles calculations based on DFT and CALPHAD modeling has greatly reduced the need for trial and error metallurgy, which is ineffective and costly. The phase stability of Ti-alloys has been shown to greatly affect their elastic properties. Traditionally, CALPHAD modeling has been used to predict the equilibrium phase formation, but in the case of Ti-alloys, predicting the formation of two metastable phases o and alpha" is of great importance as these phases also drastically effect the elastic properties. To build a knowledge base of Ti-alloys, for biomedical load-bearing implants, the Ti-Mo-Nb-Sn-Ta-Zr system was studied because of the biocompatibility and the bcc stabilizing effects of some of the elements. With the focus on bcc Ti-rich alloys, a database of thermodynamic descriptions of each phase for the pure elements, binary and Ti-rich ternary alloys was developed in the present work. Previous thermodynamic descriptions for the pure elements were adopted from the widely used SGTE database for global compatibility. The previous binary and ternary models from the literature were evaluated for accuracy and new thermodynamic descriptions were developed when necessary. The models were evaluated using available experimental data, as well as the enthalpy of formation of the bcc phase obtained from first-principles calculations based on DFT. The thermodynamic descriptions were combined into a database ensuring that the sublattice models are compatible with each other. For subsystems, such as the Sn-Ta system, where no thermodynamic description had been evaluated and minimal experimental data was available, first-principles calculations based on DFT were used. The Sn-Ta system has two intermetallic phases, TaSn2 and Ta3Sn, with three solution phases: bcc, body centered tetragonal (bct) and diamond. First-principles calculations were completed on the intermetallic and solution phases. Special quasirandom structures (SQS) were used to obtain information about the solution phases across the entire composition range. The Debye-Gruneisen approach, as well as the quasiharmonic phonon method, were used to obtain the finite-temperature data. Results from the first-principles calculations and experiments were used to complete the thermodynamic description. The resulting phase diagram reproduced the first-principles calculations and experimental data accurately. In order to determine the effect of alloying on the elastic properties, first-principles calculations based on DFT were systematically done on the pure elements, five Ti-X binary systems and Ti-X-Y ternary systems (X ≠ Y = Mo, Nb, Sn, Ta Zr) in the bcc phase. The first-principles calculations predicted the single crystal elastic stiffness constants cij 's. Correspondingly, the polycrystalline aggregate properties were also estimated from the cij's, including bulk modulus B, shear modulus G and Young's modulus E. The calculated results showed good agreement with experimental results. The CALPHAD method was then adapted to assist in the database development of the elastic properties as a function of composition. On average, the database predicted the elastic properties of higher order Ti-alloys within 5 GPa of the experimental results. Finally, the formation of the metastable phases, o and alpha" was studied in the Ti-Ta and Ti-Nb systems. The formation energy of these phases, calculated from first-principles at 0 K, showed that the phases have similar formation energies to the bcc and hcp phases. Inelastic neutron scattering was completed on four different Ti-Nb compositions to study the entropy of the phases as well as the transformations occurring when the phases form and the phase fractions. Ongoing work is being done to use the experimental information to introduce thermodynamic descriptions for these two phases in the Ti-Nb system in order to be able to predict the formation and phase fractions. DFT based first-principles were used to predict the effect these phases have on the elastic properties and a rule of mixtures was used to determine the elastic properties of multi-phase alloys. The results were compared with experiments and showed that if the ongoing modeling can predict the phase fraction, the elastic database can accurately predict the elastic properties of the o and alpha" phases. This thesis provides a knowledge base of the thermodynamic and elastic properties of Ti-alloys from computational thermodynamics. The databases created will impact research activities on Ti-alloys and specifically efforts focused on Ti-alloys for biomedical applications.

First-principles investigation of thermodynamic and kinetic properties in titanium-hydrogen system and B2-nickel-alminum compound: Phase stability, point defect complexes and diffusion

NASA Astrophysics Data System (ADS)

Xu, Qingchuan

The purpose of this thesis is to show the technique of predicting thermodynamic and kinetic properties from first-principles using density functional theory (DFT) calculations, cluster expansion methods and Monte Carlo simulations instead of experiments. Two material systems are selected as examples: one is an interstitial system (Ti-H system) and another is a substitutional compound (B2-NiAl alloy). For Ti-H system, this thesis investigated hydride stability, exploring the role of configurational degrees of freedom, zero-point vibrational energy and coherency strains. The tetragonal gamma-TiH phase was predicted to be unstable relative to hcp alpha-Ti and fcc based delta-TiH2. Zero point vibrational energy makes the gamma phase even less stable. The coherency strains between hydride precipitates and alpha-Ti matrix stabilize gamma-TiH relative to alpha-Ti and delta-TiH2. We also found that hydrogen prefers octahedral sites at low hydrogen concentration and tetrahedral sites at high concentration. For B2-NiAl, this thesis investigated the point defects and various diffusion mechanisms. A low barrier collective hop was discovered that could mediate Al diffusion through the anti-structural-bridge (ASB) mechanism. We also found an alternative hop sequence for the migration of a triple defect and a six-jump-cycle than that proposed previously. Going beyond the mean field approximation, we found that the inclusion of interactions among point defects is crucial to predict the concentration of defect complexes. Accounting for interactions among defects and incorporating all diffusion mechanisms proposed for B2-NiAl in Monte Carlo simulation, we calculated tracer diffusion coefficients. For the first time, the relative importance of various diffusion mechanisms is revealed. The ASB hop is the dominant mechanism for Ni in Ni-rich alloy and for Al diffusion in Al-rich alloys. Other mechanisms also play a role to various extents. We also calculated the self and interdiffusion coefficients for B2-NiAl. We found in Al-rich alloys that the thermodynamic factor of Al is much greater than that of Ni while in Ni-rich alloys they are very similar. This difference in thermodynamic factors results in a much higher self-diffusion coefficient of Al compared to that of Ni in Al-rich alloys and also causes two different interdiffusion coefficients.

Contributions of phase and structural transformations in multicomponent Al-Mg alloys to the linear and nonlinear mechanisms of anelasticity

NASA Astrophysics Data System (ADS)

Golovin, I. S.; Bychkov, A. S.; Mikhailovskaya, A. V.; Dobatkin, S. V.

2014-02-01

The effects of the processes of severe plastic deformation (SPD), recrystallization, and precipitation of the β phase in multicomponent alloys of the Al-5Mg-Mn-Cr and Al-(4-5%)Mg-Mn-Zn-Sc systems on the mechanisms of grain-boundary relaxation and dislocation-induced microplasticity have been studied in some detail. To stabilize the ultrafine-grained structure and prevent grain growth, dispersed Al-transition-metal particles, such as Al3Zr, Al6Mn, Al7Cr, Al6(Mn,Cr), Al18Cr2Mg3 have been used. We have special interest in alloys with additions of scandium, which forms compounds of the Al3Sc type and favors the precipitation of finer particles compared to the aluminides of other transition metals. After SPD, Al-(4-5%)Mg-Mn-Zr-Sc alloys exhibit an enhanced recrystallization temperature. The general features of the dislocation and grain-boundary anelasticity that have been established for the binary Al-Mg alloys are retained; i.e., (1) the decrease in the dislocation density in the process of recrystallization of cold-worked alloys leads to the formation of a pseudo-peak in the curves of the temperature dependences of internal friction (TDIF) and to a decrease in the critical amplitude of deformation corresponding to the onset of dislocation motion in a stress field; (2) the precipitation of the β phase suppresses the grain-boundary relaxation; (3) the dissolution of the β phase, the passage of the magnesium atoms into the solid solution, and the precipitation of the β' phase upon heating hinder the motion of dislocations; (4) the coarsening of the highly dispersed particles containing Zr and Sc increases the dislocation mobility. The grain-boundary relaxation and dislocation-impurity interaction and their temperature dependences, as well as processes of the additional alloying of the binary alloys by Mn, Cr, Zr, and Sc, have been estimated quantitatively.

Phase stability of transition metals and alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hixson, R.S.; Schiferl, D.; Wills, J.M.

1997-06-01

This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). This project was focused on resolving unexplained differences in calculated and measured phase transition pressures in transition metals. Part of the approach was to do new, higher accuracy calculations of transmission pressures for group 4B and group 6B metals. Theory indicates that the transition pressures for these baseline metals should change if alloyed with a d-electron donor metal, and calculations done using the Local Density Approximation (LDA) and the Virtual Crystal Approximation (VCA) indicate that this is true. Alloymore » systems were calculated for Ti, Zr and Hf based alloys with various solute concentrations. The second part of the program was to do new Diamond Anvil Cell (DAC) measurements to experimentally verify calculational results. Alloys were prepared for these systems with grain size suitable for Diamond Anvil Cell experiments. Experiments were done on pure Ti as well as Ti-V and Ti-Ta alloys. Measuring unambiguous transition pressures for these systems proved difficult, but a new technique developed yielded good results.« less

Physical Metallurgy, Weldability, and in-Service Performance of Nickel-Chromium Filler Metals Used in Nuclear Power Systems

NASA Astrophysics Data System (ADS)

Young, George A.; Etien, Robert A.; Hackett, Micah J.; Tucker, Julie D.; Capobianco, Thomas E.

Wrought Alloy 690 is well established for corrosion resistant nuclear applications but development continues to improve the weldability of a filler metal that retains the corrosion resistance and phase stability of the base metal. High alloy Ni-Cr filler metals are prone to several types of welding defects and new alloys are emerging for commercial use. This paper uses experimental and computational methods to illustrate key differences among welding consumables. Results show that solidification segregation is critical to understanding the weldability and environmentally-assisted cracking resistance of these alloys. Primary water stress corrosion cracking tests show a marked decrease in crack growth rates near 21 wt. % Cr at the grain boundary. While filler metals with 21-29 wt.% grain boundary Cr show similar PWSCC resistance, the higher alloyed grades are more prone to solidification cracking. Modeling and aging studies indicate that in some filler metals minor phase formation (e.g., Laves and σ) and long range order (LRO) must be assessed to ensure adequate weldability and inservice performance.

The effect of Ti-B on stabilization of Cu-Zn-Al martensite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stipcich, M.; Romero, R.

1998-10-05

The application of shape memory effect in devices requires, in many cases, stable and reliable transformation temperatures. However, as a consequence of diffusional processes, in Cu-based shape memory alloys, reverse transformation temperature significantly rises after aging at temperatures above room temperature. This generally unwanted behavior is usually referred to as the stabilization of martensite. Numerous investigations have been carried out on this subject as reviewed by Ahlers and Chandrasekaran et al. Within the Cu-based alloys the Cu-Zn-Al are claimed to be more prone to stabilization than Cu-Al-Ni on aging. It has been proposed that in the Cu-Zn-Al the stabilization ismore » due to the interchange of Cu and Zn atoms assisted by vacancies, changing, consequently, the long range order inherited from the {beta} phase. In the present work, the authors investigate the stabilization behavior of polycrystalline samples of stress induced Cu-Zn-Al and Cu-Zn-Al-B martensite.« less

Thermal Stabilization and Mechanical Properties of Nanocrystalline Iron-Nickel-Zirconium Alloys

NASA Astrophysics Data System (ADS)

Kotan, Hasan

Ultrafine grained and nanostructured materials are promising for structural applications because of the high strength compared to coarse grained counterparts. However, their widespread application is limited by an inherently high driving force for thermally induced grain growth, even at low temperatures. Accordingly, the understanding of and control over grain growth in nanoscale materials is of great technological and scientific importance as many physical properties (i.e. mechanical properties) are functions of the average grain size and the grain size distribution within the microstructure. Here, we investigate the microstructural evolution and grain growth in Fe-Ni alloys with Zr addition and differentiate the stabilization mechanisms acting on grain boundaries. Fe-Ni alloys are chosen for stability investigations since they are important for understanding the behavior of many steels and other ferrous alloys. Zirconium is proven to be an effective grain size stabilizer in pure Fe and Fe-base systems. In this study, nanocrystalline alloys were prepared by high energy ball milling. In situ and ex situ experiments were utilized to directly follow grain growth and microstructural evolution as a function of temperature and composition. The information obtained from these experiments enables the real time observation of microstructural evolution and phase transformation and provides a unique view of dynamic reactions as they occur. The knowledge of the thermal stability will exploit the potential high temperature applications and the consolidation conditions (i.e. temperature and pressure) to obtain high dense materials for advanced mechanical tests. Our investigations reveal that the grain growth of Fe-Ni alloys is not affected by Ni content but strongly inhibited by the addition of 1 at% Zr up to about 700 °C. The microstructural stability is lost due to the bcc-to-fcc transformation (occurring at 700°C) by the sudden appearance of abnormally grown fcc grains. However it was determined grain growth can be suppressed kinetically at higher temperatures for high Zr containing alloys by precipitation of intermetallic compounds. Eventually at high enough temperatures the retention of nanocrystallinity was lost, leaving behind fine micron grains filled with nanoscale intermetallic precipitates. Despite the loss of stability the in-situ formed precipitates were found to induce an Orowan hardening affect. The results from the mechanical tests show that Orowan particle strengthening can be as significant as Hall Petch hardening is at the smallest grain sizes.

Ta-Pt Alloys as Gate Materials for Metal-Oxide-Semiconductor Field Effect Transistor Application

NASA Astrophysics Data System (ADS)

Huang, Chih-Feng; Tsui, Bing-Yue

2009-03-01

In this work we explore the thermal stability of sputter-deposited Ta-rich Ta-Pt alloys. The effects of group III and V impurities on their work function are also investigated. The Ta content ranges from 65 to 82 at. %. The main phase is σ Ta-Pt. The binding energies of core-level electrons of Ta and Pt are changed due to the intermixing of Ta and Pt, which is evidence that the work function of alloys is changed in metallic alloy systems. Binding energies are thermally stable up to 800 °C. Moreover, the incorporation of Pt in Ta film induces poor crystallization and a compound phase of Ta-Pt alloys. Transmission electron microscopy analysis confirmed the absence of a clear grain boundary in Ta-Pt alloys. The Ta and Pt depth profile shows uniformity in depth after 800 °C annealing for 30 min. The diffusion and distribution of impurities in the alloys were studied by secondary ion mass spectroscopy. Arsenic cannot diffuse in the alloys following annealing at 800 °C for 30 s. In contrast, boron can easily diffuse at 800 °C. The incorporation of impurities with a dosage of 5 ×1015 cm-2 in 60 nm Ta-Pt alloy by implantation did not significantly change the flat-band voltage following annealing at 800 °C.

Mn-Fe base and Mn-Cr-Fe base austenitic alloys

DOEpatents

Brager, Howard R.; Garner, Francis A.

1987-09-01

Manganese-iron base and manganese-chromium-iron base austenitic alloys designed to have resistance to neutron irradiation induced swelling and low activation have the following compositions (in weight percent): 20 to 40 Mn; up to about 15 Cr; about 0.4 to about 3.0 Si; an austenite stabilizing element selected from C and N, alone or in combination with each other, and in an amount effective to substantially stabilize the austenite phase, but less than about 0.7 C, and less than about 0.3 N; up to about 2.5 V; up to about 0.1 P; up to about 0.01 B; up to about 3.0 Al; up to about 0.5 Ni; up to about 2.0 W; up to about 1.0 Ti; up to about 1.0 Ta; and with the remainder of the alloy being essentially iron.

Stability of Cd 1–xZn xO yS 1–y Quaternary Alloys Assessed with First-Principles Calculations

DOE PAGES

Varley, Joel B.; He, Xiaoqing; Rockett, Angus; ...

2017-02-08

One route to decreasing the absorption in CdS buffer layers in Cu(In,Ga)Se 2 and Cu 2ZnSn(S,Se) 4 thin-film photovoltaics is by alloying. Here we use first-principles calculations based on hybrid functionals to assess the energetics and stability of quaternary Cd, Zn, O, and S (Cd 1–xZn xO yS 1–y) alloys within a regular solution model. Our results identify that full miscibility of most Cd 1–xZn xO yS 1–y compositions and even binaries like Zn(O,S) is outside typical photovoltaic processing conditions. Finally, the results suggest that the tendency for phase separation of the oxysulfides may drive the nucleation of other phasesmore » such as sulfates that have been increasingly observed in oxygenated CdS and ZnS.« less

Stability of Cd 1–xZn xO yS 1–y Quaternary Alloys Assessed with First-Principles Calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Varley, Joel B.; He, Xiaoqing; Rockett, Angus

One route to decreasing the absorption in CdS buffer layers in Cu(In,Ga)Se 2 and Cu 2ZnSn(S,Se) 4 thin-film photovoltaics is by alloying. Here we use first-principles calculations based on hybrid functionals to assess the energetics and stability of quaternary Cd, Zn, O, and S (Cd 1–xZn xO yS 1–y) alloys within a regular solution model. Our results identify that full miscibility of most Cd 1–xZn xO yS 1–y compositions and even binaries like Zn(O,S) is outside typical photovoltaic processing conditions. Finally, the results suggest that the tendency for phase separation of the oxysulfides may drive the nucleation of other phasesmore » such as sulfates that have been increasingly observed in oxygenated CdS and ZnS.« less

Mn-Fe base and Mn-Cr-Fe base austenitic alloys

DOEpatents

Brager, Howard R.; Garner, Francis A.

1987-01-01

Manganese-iron base and manganese-chromium-iron base austenitic alloys designed to have resistance to neutron irradiation induced swelling and low activation have the following compositions (in weight percent): 20 to 40 Mn; up to about 15 Cr; about 0.4 to about 3.0 Si; an austenite stabilizing element selected from C and N, alone or in combination with each other, and in an amount effective to substantially stabilize the austenite phase, but less than about 0.7 C, and less than about 0.3 N; up to about 2.5 V; up to about 0.1 P; up to about 0.01 B; up to about 3.0 Al; up to about 0.5 Ni; up to about 2.0 W; up to about 1.0 Ti; up to about 1.0 Ta; and with the remainder of the alloy being essentially iron.

Laser Hot Wire Process: A Novel Process for Near-Net Shape Fabrication for High-Throughput Applications

NASA Astrophysics Data System (ADS)

Kottman, Michael; Zhang, Shenjia; McGuffin-Cawley, James; Denney, Paul; Narayanan, Badri K.

2015-03-01

The laser hot wire process has gained considerable interest for additive manufacturing applications, leveraging its high deposition rate, low dilution, thermal stability, and general metallurgical control including the ability to introduce and preserve desired meta-stable phases. Recent advancements in closed-loop process control and laser technology have increased productivity, process stability, and control of deposit metallurgy. The laser hot wire process has shown success in several applications: repairing and rejuvenating casting dies, depositing a variety of alloys including abrasion wear-resistant overlays with solid and tubular wires, and producing low-dilution (<5%) nickel alloy overlays for corrosion applications. The feasibility of fabricating titanium buildups is being assessed for aerospace applications.

Composition, microstructure, Vickers hardness and activation energies of Co-Cu alloys fabricated by arc melting technique

NASA Astrophysics Data System (ADS)

Mebed, A. M.; Abd-Elnaiem, Alaa M.; Asafa, Tesleem B.; Gaffar, M. A.

2012-12-01

We have determined the phase transition for the Co-20 and -30 at.% Cu alloys fabricated by arc melting technique, from the binodal to the two phases α + L as well as the peritectic transitions, using differential thermal analysis (DTA). We equally studied the effects of aging treatment, ranging from 3 to 35 h, on the alloy samples using scanning electron microscopy (SEM) and Vickers hardness (HV). The activation energies of these alloys are equally determined using five established models. Our results show that for aging time up to 15 h, within the spinodal region at 773 K, the hardness value for Co-20 and -30 at.% Cu alloys oscillates reaching a local maximum at the aging time of 8.5 ± 0.5 h. After 20 h of heat treatment, the HV for Co-20 at.% Cu alloy diminishes significantly while that of Co-30 at.% Cu effectively stabilizes at 241 MPa. The activation energies for the peritectic transformation based on Ozawa model are estimated to be 2465 and 2680 kJ mol-1 for Co-20 and -30 at.% Cu, respectively. On leave for: Al-Jouf University, Skaka-2014, KSA.

Accumulative Roll Bonding and Post-Deformation Annealing of Cu-Al-Mn Shape Memory Alloy

NASA Astrophysics Data System (ADS)

Moghaddam, Ahmad Ostovari; Ketabchi, Mostafa; Afrasiabi, Yaser

2014-12-01

Accumulative roll bonding is a severe plastic deformation process used for Cu-Al-Mn shape memory alloy. The main purpose of this study is to investigate the possibility of grain refinement of Cu-9.5Al-8.2Mn (in wt.%) shape memory alloy using accumulative roll bonding and post-deformation annealing. The alloy was successfully subjected to 5 passes of accumulative roll bonding at 600 °C. The microstructure, properties as well as post-deformation annealing of this alloy were investigated by optical microscopy, scanning electron microscopy, x-ray diffraction, differential scanning calorimeter, and bend and tensile testing. The results showed that after 5 passes of ARB at 600 °C, specimens possessed α + β microstructure with the refined grains, but martensite phases and consequently shape memory effect completely disappeared. Post-deformation annealing was carried out at 700 °C, and the martensite phase with the smallest grain size (less than 40 μm) was obtained after 150 s of annealing at 700 °C. It was found that after 5 passes of ARB and post-deformation annealing, the stability of SME during thermal cycling improved. Also, tensile properties of alloys significantly improved after post-deformation annealing.

Development of epitaxial Al xSc 1-xN for artificially structured metal/semiconductor superlattice metamaterials

DOE PAGES

Sands, Timothy D.; Stach, Eric A.; Saha, Bivas; ...

2015-02-01

Epitaxial nitride rocksalt metal/semiconductor superlattices are emerging as a novel class of artificially structured materials that have generated significant interest in recent years for their potential application in plasmonic and thermoelectric devices. Though most nitride metals are rocksalt, nitride semiconductors in general have hexagonal crystal structure. We report rocksalt aluminum scandium nitride (Al,Sc)N alloys as the semiconducting component in epitaxial rocksalt metal/semiconductor superlattices. The Al xSc 1-xN alloys when deposited directly on MgO substrates are stabilized in a homogeneous rocksalt (single) phase when x < 0.51. Employing 20 nm TiN as a seed layer on MgO substrates, the homogeneity rangemore » for stabilizing the rocksalt phase has been extended to x < 0.82 for a 120 nm film. The rocksalt Al xSc 1-xN alloys show moderate direct bandgap bowing with a bowing parameter, B = 1.41 ± 0.19 eV. The direct bandgap of metastable rocksalt AlN is extrapolated to be 4.70 ± 0.20 eV. The tunable lattice parameter, bandgap, dielectric permittivity, and electronic properties of rocksalt Al xSc 1-xN alloys enable high quality epitaxial rocksalt metal/Al xSc 1-xN superlattices with a wide range of accessible metamaterials properties.« less

Stabilization of X–Au–X complexes on the Au(111) surface: A theoretical investigation and comparison of X = S, Cl, CH 3S, and SiH 3S

DOE PAGES

Lee, Jiyoung; Boschen, Jeffery S.; Windus, Theresa L.; ...

2017-01-27

Alnico alloys have long been used as strong permanent magnets because of their ferromagnetism and high coercivity. Understanding their structural details allows for better prediction of the resulting magnetic properties. However, quantitative three-dimensional characterization of the phase separation in these alloys is still challenged by the spatial quantification of nanoscale phases. Herein, we apply a dual tomography approach, where correlative scanning transmission electron microscopy (STEM) energy-dispersive X-ray spectroscopic (EDS) tomography and atom probe tomography (APT) are used to investigate the initial phase separation process of an alnico 8 alloy upon non-magnetic annealing. STEM-EDS tomography provides information on the morphology andmore » volume fractions of Fe–Co-rich and Νi–Al-rich phases after spinodal decomposition in addition to quantitative information of the composition of a nanoscale volume. Subsequent analysis of a portion of the same specimen by APT offers quantitative chemical information of each phase at the sub-nanometer scale. Furthermore, APT reveals small, 2–4 nm Fe-rich α 1 phases that are nucleated in the Ni-rich α 2 matrix. From this information, we show that phase separation of the alnico 8 alloy consists of both spinodal decomposition and nucleation and growth processes. The complementary benefits and challenges associated with correlative STEM-EDS and APT are discussed.« less

Self-discharge characteristic and mechanism of single-phase PuNi3-, Gd2Co7-, and Pr5Co19-type Nd-Mg-Ni-based alloys

NASA Astrophysics Data System (ADS)

Jia, Zeru; Zhang, Lu; Zhao, Yumeng; Cao, Juan; Li, Yuan; Dong, Zhentao; Wang, Wenfeng; Han, Shumin

2017-12-01

To decrease the self-discharge rate of the nickel metal hydride batteries, the self-discharge characteristic and mechanism of single-phase PuNi3-, Gd2Co7-, and Pr5Co19-type Nd-Mg-Ni-based alloys are studied from the perspective of structure in this work. It is found that the self-discharge rate of the alloy electrodes gradually increases with a rising [NdNi5]/[NdMgNi4] subunit ratio. The factors resulting in reversible and irreversible self-discharge are analyzed by electrochemical pressure-composition isotherms, Tafel and SEM measurements. Electrochemical P-C isotherms show that with the increasing [NdNi5]/[NdMgNi4] subunit ratio, the hydrogen desorption plateau pressure sharply elevates, leading to less stability of the corresponding hydride and more reversible self-discharge of the alloys; whereas, corrosion current density of the three alloy electrodes gradually decreases and SEM shows that the amount of hydroxide accumulating on the alloy surface diminishes, indicating the oxidation/corrosion degree alleviates and less irreversible self-discharge with the higher [NdNi5]/[NdMgNi4] ratio. By calculating the proportion of reversible and irreversible self-discharge in total capacity loss, we find that the reversible self-discharge is nearly more than 90% for the three single-phase alloys, while irreversible self-discharge is less than 10%, which illustrates that reversible self-discharge is the dominate factor in self-discharge of Nd-Mg-Ni-based alloys in this study.

Interfacial free energy controlling glass-forming ability of Cu-Zr alloys.

PubMed

Kang, Dong-Hee; Zhang, Hao; Yoo, Hanbyeol; Lee, Hyun Hwi; Lee, Sooheyong; Lee, Geun Woo; Lou, Hongbo; Wang, Xiaodong; Cao, Qingping; Zhang, Dongxian; Jiang, Jianzhong

2014-06-04

Glass is a freezing phase of a deeply supercooled liquid. Despite its simple definition, the origin of glass forming ability (GFA) is still ambiguous, even for binary Cu-Zr alloys. Here, we directly study the stability of the supercooled Cu-Zr liquids where we find that Cu64Zr36 at a supercooled temperature shows deeper undercoolability and longer persistence than other neighbouring compositions with an equivalent driving Gibbs free energy. This observation implies that the GFA of the Cu-Zr alloys is significantly affected by crystal-liquid interfacial free energy. In particular, the crystal-liquid interfacial free energy of Cu64Zr36 in our measurement was higher than that of other neighbouring liquids and, coincidently a molecular dynamics simulation reveals a larger glass-glass interfacial energy value at this composition, which reflects more distinct configuration difference between liquid and crystal phase. The present results demonstrate that the higher crystal-liquid interfacial free energy is a prerequisite of good GFA of the Cu-Zr alloys.

Phase Stability of the Fe-Cr-Mn System and the Problem of Development of Stainless Steels on its Basis

NASA Astrophysics Data System (ADS)

Grikurov, G.; Antropov, N.; Baratashvili, I.; Skibina, L.; Chernik, M.; Yushchenko, K.

2004-06-01

The Fe-Cr-Mn system with 2 - 15 % Cr and 20 - 50 % Mn, ⩽ 0.03 % C, ⩽ 0.05 % N was investigated after quenching from 1273 K and after quenching and subsequent one-hour tempering at 973 K. Phase diagrams are plotted for the Fe-Cr-Mn alloys after cooling and deformation at 20 K. Also, the diagrams of their mechanical properties are constructed. A closed, earlier unknown region of concentrations has been revealed, where the alloys have extraordinarily high plasticity and impact strength at 20 K exceeding the corresponding room temperature values. The analysis of the diagrams shows that the high plasticity is due both to the martensitic transformation and to the pre-martensite state. To improve the anticorrosive effect in cryogenic and special engineering applications, it is reasonable to use alloys containing Cr up to 14 % and Mn up to 24 - 30 %. Such alloys have quite high plasticity and strength.

Phase relations of Fe Ni alloys at high pressure and temperature

NASA Astrophysics Data System (ADS)

Mao, Wendy L.; Campbell, Andrew J.; Heinz, Dion L.; Shen, Guoyin

2006-04-01

Using a diamond anvil cell and double-sided laser-heating coupled with synchrotron X-ray diffraction, we determined phase relations for three compositions of Fe-rich FeNi alloys in situ at high pressure and high temperature. We studied Fe with 5, 15, and 20 wt.% Ni to 55, 62, and 72 GPa, respectively, at temperatures up to ˜3000 K. Ni stabilizes the face-centered cubic phase to lower temperatures and higher pressure, and this effect increases with increasing pressure. Extrapolation of our experimental results for Fe with 15 wt.% Ni suggests that the stable phase at inner core conditions is hexagonal close packed, although if the temperature at the inner core boundary is higher than ˜6400 K, a two phase outer region may also exist. Comparison to previous laser-heated diamond anvil cell studies demonstrates the importance of kinetics even at high temperatures.

Predicting the Crystal Structure and Phase Transitions in High-Entropy Alloys

NASA Astrophysics Data System (ADS)

King, D. M.; Middleburgh, S. C.; Edwards, L.; Lumpkin, G. R.; Cortie, M.

2015-06-01

High-entropy alloys (HEAs) have advantageous properties compared with other systems as a result of their chemistry and crystal structure. The transition between a face-centered cubic (FCC) and body-centered cubic (BCC) structure in the Al x CoCrFeNi high-entropy alloy system has been investigated on the atomic scale in this work. The Al x CoCrFeNi system, as well as being a useful system itself, can also be considered a model HEA material. Ordering in the FCC structure was investigated, and an order-disorder transition was predicted at ~600 K. It was found that, at low temperatures, an ordered lattice is favored over a truly random lattice. The fully disordered BCC structure was found to be unstable. When partial ordering was imposed (lowering the symmetry), with Al and Ni limited specific sites of the BCC system, the BCC packing was stabilized. Decomposition of the ordered BCC single phase into a dual phase (Al-Ni rich and Fe-Cr rich) is also considered.

Spontaneous magnetization-induced phonons stability in γ‧-Fe4N crystalline alloys and high-pressure new phase

NASA Astrophysics Data System (ADS)

Cheng, Tai-min; Yu, Guo-liang; Su, Yong; Zhu, Lin; Li, Lin

2018-04-01

The stability of lattice dynamics and the magnetism of the ordered γ‧-Fe4N crystalline alloy at high pressures were studied by first-principle calculations based on density-functional theory. The dynamical stable new phase P2/m-Fe4N at high pressures was found by conducting the softening phenomenon at the point M (0.5 0.5 0) of the acoustic phonon at 10 GPa in the γ‧-Fe4N via soft-mode phase transition theory. Compared to the phonon spectrum of γ‧-Fe4N without considering electronic spin polarization, the ground-state lattice dynamical stability of the ferromagnetic phase γ‧-Fe4N is induced by the spontaneous magnetization at pressures below 1 GPa. However, P2/m-Fe4N is more thermodynamically stable than γ‧-phase at pressures below 1 GPa, and the magnetic moments of the two phases are almost the same. The ground-state structure of P2/m phase is more stable than that of γ‧-phase in the pressure range from 2.9 to 19 GPa. The magnetic moments of the two phases are almost the same in the pressure range from 20 to 214 GPa, but the ground-state structure of γ‧-phase is more stable than that of P2/m phase in the pressure range from 143.8 to 214 GPa. On the contrary, the ground-state structure of P2/m phase is more stable when the pressure is above 214 GPa. In the pressure range from 214 to 300 GPa, the magnetic moment of P2/m phase is lower than that of γ‧-phase, and the magnetic moments of the two phase tend to be consistent when the pressure exceeds 300 GPa.

Thin-Film Phase Plates for Transmission Electron Microscopy Fabricated from Metallic Glasses.

PubMed

Dries, Manuel; Hettler, Simon; Schulze, Tina; Send, Winfried; Müller, Erich; Schneider, Reinhard; Gerthsen, Dagmar; Luo, Yuansu; Samwer, Konrad

2016-10-01

Thin-film phase plates (PPs) have become an interesting tool to enhance the contrast of weak-phase objects in transmission electron microscopy (TEM). The thin film usually consists of amorphous carbon, which suffers from quick degeneration under the intense electron-beam illumination. Recent investigations have focused on the search for alternative materials with an improved material stability. This work presents thin-film PPs fabricated from metallic glass alloys, which are characterized by a high electrical conductivity and an amorphous structure. Thin films of the zirconium-based alloy Zr65.0Al7.5Cu27.5 (ZAC) were fabricated and their phase-shifting properties were evaluated. The ZAC film was investigated by different TEM techniques, which reveal beneficial properties compared with amorphous carbon PPs. Particularly favorable is the small probability for inelastic plasmon scattering, which results from the combined effect of a moderate inelastic mean free path and a reduced film thickness due to a high mean inner potential. Small probability plasmon scattering improves contrast transfer at high spatial frequencies, which makes the ZAC alloy a promising material for PP fabrication.

Crystal structure and phase stability in Fe{sub 1{minus}x}Co{sub x} from AB initio theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Soederlind, P.; Abrikosov, I.A.; James, P.

1996-06-01

For alloys between Fe and Co, their magnetic properties determine their structure. From the occupation of d states, a phase diagram is expected which depend largely on the spin polarization. A method more elaborate than canonical band models is used to calculate the spin moment and crystal structure energies. This method was the multisublattice generalization of the coherent potential approximation in conjunction with the Linear-Muffin-Tin-Orbital method in the atomic sphere approximation. To treat itinerant magnetism, the Vosko-Wilk-Nusair parameterization was used for the local spin density approximation. The fcc, bcc, and hcp phases were studied as completely random alloys, while themore » {alpha}{prime} phase for off-stoichiometries were considered as partially ordered. Results are compared with experiment and canonical band model.« less

Localized surface plasmon behavior of Ag-Cu alloy nanoparticles stabilized by rice-starch and gelatin

NASA Astrophysics Data System (ADS)

Singh, Manish Kumar; Manda, Premkumar; Singh, A. K.; Mandal, R. K.

2015-10-01

The purpose of this communication was to understand localized surface plasmon behavior of a series of Ag-Cu alloy nanoparticles capped by rice-starch and gelatin. The structures of dried powders were investigated with the help of X-ray diffraction. The analysis revealed Ag-rich and Cu-rich phases with maximum solid solubility of Cu ˜9 atom per cent; 8 atom per cent and Ag ˜ 16 atom per cent; 14 atom per cent in rice-starch and gelatin capped samples respectively. Transmission electron microscope was used for knowing the particle size as well as to supplement FCC phase formations of Ag-rich and Cu-rich solid phases arrived at based on X-ray diffraction studies. The UV-Vis spectra of sols were examined for the formation and stability of alloy nanoparticles. The temporal evolution of LSPR curves gave us to assert that the sol is stable for more than two months. Small angle X-ray scattering in the sol state was extensively utilized to understand nature of suspensions in terms of fractals. Such a study is important for having a correlation between LSPR behaviors with those of nanoparticle dispersion in aqueous media. It is believed that this work will be a contribution to the emerging field of plasmonics that include applications in the area of photophysical processes and photochemical reactions.

Crystallization kinetics of Mg–Cu–Yb–Ca–Ag metallic glasses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tsarkov, Andrey A., E-mail: tsarkov@misis.ru; WPI Advanced Institute for Materials Research, Tohoku University, Katahira 2-1-1, Aoba-Ku, Sendai 980-8577; Zanaeva, Erzhena N.

The paper presents research into a Mg–Cu–Yb system based metallic glassy alloys. Metallic glasses were prepared using induction melting and further injection on a spinning copper wheel. The effect of alloying by Ag and Ca on the glass forming ability and the kinetics of crystallization of Mg–Cu–Yb system based alloys were studied. The differential scanning calorimeter and X-ray diffractometer were used to investigate the kinetics of crystallization and the phase composition of the samples. An indicator of glass forming ability, effective activation energy of crystallization, and enthalpy of mixing were calculated. An increase of the Ca and Ag content hasmore » a positive effect on the glass forming ability, the effective activation energy of crystallization, and the enthalpy of mixing. The highest indicators of the glass forming ability and the thermal stability were found for alloys that contain both alloying elements. The Ag addition suppresses precipitation of the Mg{sub 2}Cu phase during crystallization. A dual-phase glassy-nanocrystalline Mg structure was obtained in Mg{sub 65}Cu{sub 25}Yb{sub 10} and Mg{sub 59.5}Cu{sub 22.9}Yb{sub 11}Ag{sub 6.6} alloys after annealing. Bulk samples with a composite glassy-crystalline structure were obtained in Mg{sub 59.5}Cu{sub 22.9}Yb{sub 11}Ag{sub 6.6} and Mg{sub 64}Cu{sub 21}Yb{sub 9.5}Ag{sub 5.5} alloys. A thermodynamic database for the Mg–Cu–Yb–Ca–Ag system was created to compare the process of crystallization of alloys with polythermal sections of the Mg–Cu–Yb–Ca–Ag phase diagram. - Highlights: • New alloy compositions based on Mg–Cu–Yb system were developed and investigated. • Increasing content of Ag and Ca leads to improving GFA. • Bulk samples with a composite glassy-crystalline structure were obtained. • Thermodynamic database for Mg–Cu–Yb–Ca–Ag system was created.« less

Microstructure–property relationships in a high-strength 51Ni–29Ti–20Hf shape memory alloy

DOE PAGES

Coughlin, D. R.; Casalena, L.; Yang, F.; ...

2015-09-18

NiTiHf alloys exhibit remarkable shape memory and pseudoelastic properties that are of fundamental interest to a growing number of industries. In this study, differential scanning calorimetry and isothermal compression tests have revealed that the 51Ni–29Ti–20Hf alloy has useful shape memory properties that include a wide range of transformation temperatures as well as highly stable pseudoelastic behavior. These properties are governed by short-term aging conditions, which may be tailored to control transformation temperatures while giving rise to exceptionally high austenite yield strengths which aid transformation stability. The yield strength of the austenite phase can reach 2.1 GPa by aging for 3hrsmore » at 500°C, while aging for 3hrs at 700°C produced an alloy with an austenite finish temperature (A f ) of 146°C. High-resolution scanning transmission electron microscopy has revealed a new precipitate phase, H-phase, under the homogenized and extruded condition and the aged 3 hrs at 500°C condition, but only the previously identified H-phase precipitate was observed after aging at temperatures of 600°C and 700°C for 3 hrs. Finally, dislocation analysis indicated that plastic deformation of the austenite phase occurred by <100> type slip, similar to that observed in binary NiTi.« less

Development of a new quaternary alloy Ti-25Ta-25Nb-3Sn for biomedical applications

NASA Astrophysics Data System (ADS)

Rangel Seixas, Mauricio; Bortolini, Celso, Jr.; Pereira, Adelvam, Jr.; Nakazato, Roberto Z.; Popat, Ketul C.; Rosifini Alves Claro, Ana Paula

2018-02-01

Metallic biomaterials have been used for biomedical applications, such as cardiovascular, orthopaedics and orthodontics, due to excellent properties. In this study, the mechanical properties and corrosion resistance of new quaternary alloy Ti25Ta25Nb3Sn were evaluated. Alloys were processing in arc melting furnace with argon atmosphere and cold worked by rotary swaging. Alloy microstructure, crystalline phases and mechanical properties such as Young’s modulus, yield strength and tensile strength were evaluated. Corrosion resistance was investigated in fluoride solution by electrochemical polarization and biocompatibility with human dermal fibroblasts were also evaluated. In our study, for quaternary alloy Ti25Ta25Nb3Sn the stabilization of beta phase was maintained. It was observed that the elastic modulus of Ti25Ta25Nb3Sn (65 GPa) was lower than CP Ti (105 GPa) and Ti6Al4V (110 GPa) and slightly higher than Ti25Ta25Nb (55 GPa) alloy. The addition of Sn suppressed the double yielding verified on ternary alloy Ti25Ta25Nb. Electrochemical studies showed that stable passive oxide film was formed on the Ti25Ta25Nb3Sn surface and an increase of HDF adhesion and proliferation on alloy surface, indicating that the alloy is non-cytotoxic may provide a favorable material for biomedical applications. Results obtained showed that Ti25Ta25Nb3Sn alloy is indicated for biomedical applications.

The Soft Magnetic Properties, and Temperature Stability, of Co-Fe-Zr-B Metallic Glasses

NASA Astrophysics Data System (ADS)

Bednarčík, J.; Kováč, J.; Roth, S.; Fűzer, J.; Kollár, P.; Varga, L.; Franz, H.

2008-01-01

In the present work multicomponent Co-based alloys with nominal composition Co72-x FexZr8B20 (x=10, 15, and 20 at. %) were synthesized by single-roller melt-spinning. The measurement of coercivity, Hc, reveals the soft magnetic behavior of investigated alloys. The value of Hc increases from 23 A/m for alloy with x=10 at. % up to 32 A/m for alloy with x=20 at. %. Further it was found that crystallization temperature of as-quenched alloys slightly varies with iron content and lays between 605 and 625°C. From the temperature dependence of magnetization it follows that partial substitution of cobalt by iron has positive influence on the Curie temperature of amorphous phase, Tam c, which increases from 300°C up to 462°C for alloy with x=10 at. % and x=2 0 at. %, respectively.

Effects of annealing and additions on dynamic mechanical properties of SnSb quenched alloy

NASA Astrophysics Data System (ADS)

El-Bediwi, A. B.

2004-08-01

The elastic modulus, internal friction and stiffness values of quenched SnSb bearing alloy have been evaluated using the dynamic resonance technique. Annealing for 2 and 4 h at 120, 140 and 160degreesC caused variations in the elastic modulus. internal friction and stiffness values. This is due to structural changes in the SnSb matrix during isothermal annealing such as coarsening in the phases (Sn, Sb or intermetallic compounds), recrystallization and stress relief. In addition, adding a small amount (1 wt.%) of Cu or Ag improved the bearing mechanical properties of the SnSb bearing alloy. The SnSbCu1 alloy has the best bearing mechanical properties with thermo-mechanical stability for long time at high temperature.

Microstructural evolution and thermal stability of Fe-Zr metastable alloys developed by mechanical alloying followed by annealing

NASA Astrophysics Data System (ADS)

Sooraj, S.; Muthaiah, V. M. Suntharavel; Kang, P. C.; Koch, Carl C.; Mula, Suhrit

2016-09-01

The effect of Zr (up to 1 at.%) addition on the formation of Fe-Zr metastable alloys and their thermal stability were investigated for their possible nuclear applications. Fe-xZr (x = 0.25, 0.5, 1%) alloys were synthesised by mechanical alloying under a high-purity argon atmosphere using stainless steel grinding media in a SPEX 8000M high energy mill. The milling was conducted for 20 h with a ball-to-powder weight ratio of 10:1. The formation of metastable solid solutions after milling was confirmed from the change in the Gibbs free energy analysis as per Miedema's model. The microstructural characterisation was carried out by analysis of X-ray diffraction, atomic force microscopy and transmission electron microscopy. The effect of Zr on the thermal stability of Fe-Zr alloys was investigated by extensive annealing experiments followed by microstructural analysis and microhardness measurements. The stabilisation was found to occur at 800 °C and thereafter, no significant change in the crystallite size was observed for the samples annealed between 800 and 1200 °C. The supersaturated solid solution, especially 1% Zr alloy, found to be highly stable up to 800 °C and the microhardness value of the same measured to be as high as 8.8 GPa corresponding to a crystallite size of 57 nm. The stabilisation effect has been discussed in the light of both the thermodynamic and kinetic mechanisms and the grain size stabilisation is attributed to the grain boundary segregation of Zr atoms and/or Zener pinning by nanoscale precipitation of the Fe2Zr phase.

Precipitate Evolution and Strengthening in Supersaturated Rapidly Solidified Al-Sc-Zr Alloys

NASA Astrophysics Data System (ADS)

Deane, Kyle; Kampe, S. L.; Swenson, Douglas; Sanders, P. G.

2017-04-01

Because of the low diffusivities of scandium and zirconium in aluminum, trialuminide precipitates containing these elements have been reported to possess excellent thermal stability at temperatures of 573 K (300 °C) and higher. However, the relatively low equilibrium solubilities of these elements in aluminum limit the achievable phase fraction and, in turn, strengthening contributions from these precipitates. One method of circumventing this limitation involves the use of rapid solidification techniques to suppress the initial formation of precipitates in alloys containing higher solute compositions. This work specifically discusses the fabrication of supersaturated Al-Sc, Al-Zr, and Al-Sc-Zr alloys via melt spinning, in which supersaturations of at least 0.55 at. pct Zr and 0.8 at. pct Sc are shown to be attainable through XRD analysis. The resulting ribbons were subjected to a multistep aging heat treatment in order to encourage a core-shell precipitate morphology, the precipitate evolution behavior was monitored with XRD and TEM, and the aging behavior was observed. While aging in these alloys is shown to follow similar trends to conventionally processed materials reported in literature, with phase fraction increasing until higher aging temperatures causing a competing dissolution effect, the onset of precipitation begins at lower temperatures than previously observed and the peak hardnesses occurred at higher temperature steps due to an increased aging time associated with increased solute concentration. Peaking in strength at a higher temperature doesn't necessarily mean an increase in thermal stability, but rather emphasizes the need for intelligently designed heat treatments to take full advantage of the potential strengthening of supersaturated Al-Sc-Zr alloys.

Ag–Pt compositional intermetallics made from alloy nanoparticles

DOE PAGES

Pan, Yung -Tin; Yan, Yuqi; Shao, Yu -Tsun; ...

2016-09-07

Intermetallics are compounds with long-range structural order that often lies in a state of thermodynamic minimum. They are usually considered as favorable structures for catalysis due to their high activity and robust stability. However, formation of intermetallic compounds is often regarded as element specific. For instance, Ag and Pt do not form alloy in bulk phase through the conventional metallurgy approach in almost the entire range of composition. Herein, we demonstrate a bottom-up approach to create a new Ag–Pt compositional intermetallic phase from nanoparticles. By thermally treating the corresponding alloy nanoparticles in inert atmosphere, we obtained an intermetallic material thatmore » has an exceptionally narrow Ag/Pt ratio around 52/48 to 53/47, and a structure of interchangeable closely packed Ag and Pt layers with 85% on tetrahedral and 15% on octahedral sites. This rather unique stacking results in wavy patterns of Ag and Pt planes revealed by scanning transmission electron microscope (STEM). Finally, this Ag–Pt compositional intermetallic phase is highly active for electrochemical oxidation of formic acid at low anodic potentials, 5 times higher than its alloy nanoparticles, and 29 times higher than the reference Pt/C at 0.4 V (vs RHE) in current density.« less

Effects of Tungsten Addition on the Microstructure and Corrosion Resistance of Fe-3.5B Alloy in Liquid Zinc

PubMed Central

Liu, Xin; Wang, Mengmeng; Yin, Fucheng; Ouyang, Xuemei; Li, Zhi

2017-01-01

The effects of tungsten addition on the microstructure and corrosion resistance of Fe-3.5B alloys in a liquid zinc bath at 520 °C were investigated by means of scanning electron microscopy, X-ray diffraction and electron probe micro-analysis. The microstructure evolution in different alloys is analyzed and discussed using an extrapolated Fe-B-W ternary phase diagram. Experimental results show that there are three kinds of borides, the reticular (Fe, W)2B, the rod-like (Fe, W)3B and flower-like FeWB. The addition of tungsten can refine the microstructure and improve the stability of the reticular borides. Besides, it is beneficial to the formation of the metastable (Fe, W)3B phase. The resultant Fe-3.5B-11W (wt %) alloy possesses excellent corrosion resistance to liquid zinc. When tungsten content exceeds 11 wt %, the formed flower-like FeWB phase destroys the integrity of the reticular borides and results in the deterioration of the corrosion resistance. Also, the corrosion failure resulting from the spalling of borides due to the initiation of micro-cracks in the grain boundary of borides is discussed in this paper. PMID:28772759

Ag–Pt compositional intermetallics made from alloy nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pan, Yung -Tin; Yan, Yuqi; Shao, Yu -Tsun

Intermetallics are compounds with long-range structural order that often lies in a state of thermodynamic minimum. They are usually considered as favorable structures for catalysis due to their high activity and robust stability. However, formation of intermetallic compounds is often regarded as element specific. For instance, Ag and Pt do not form alloy in bulk phase through the conventional metallurgy approach in almost the entire range of composition. Herein, we demonstrate a bottom-up approach to create a new Ag–Pt compositional intermetallic phase from nanoparticles. By thermally treating the corresponding alloy nanoparticles in inert atmosphere, we obtained an intermetallic material thatmore » has an exceptionally narrow Ag/Pt ratio around 52/48 to 53/47, and a structure of interchangeable closely packed Ag and Pt layers with 85% on tetrahedral and 15% on octahedral sites. This rather unique stacking results in wavy patterns of Ag and Pt planes revealed by scanning transmission electron microscope (STEM). Finally, this Ag–Pt compositional intermetallic phase is highly active for electrochemical oxidation of formic acid at low anodic potentials, 5 times higher than its alloy nanoparticles, and 29 times higher than the reference Pt/C at 0.4 V (vs RHE) in current density.« less

Microstructure Characterization of RERTR Fuel

DOE Office of Scientific and Technical Information (OSTI.GOV)

J. Gan; B. D. Miller; D. D. Keiser

2008-09-01

A variety of phases have the potential to develop in the irradiated fuels for the reduced enrichment research test reactor (RERTR) program. To study the radiation stability of these potential phases, three depleted uranium alloys were cast. The phases of interest were identified including U(Si,Al)3, (U,Mo)(Si,Al)3, UMo2Al20, UAl4, and U6Mo4Al43. These alloys were irradiated with 2.6 MeV protons at 200ºC up to 3.0 dpa. The microstructure is characterized using SEM and TEM. Microstructural characterization for an archive dispersion fuel plate (U-7Mo fuel particles in Al-2%Si cladding) was also carried out. TEM sample preparation for the irradiated dispersion fuel has beenmore » developed.« less

Suppression of the ferromagnetic order in the Heusler alloy Ni{sub 50}Mn{sub 35}In{sub 15} by hydrostatic pressure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Salazar Mejía, C., E-mail: Catalina.Salazar@cpfs.mpg.de; Mydeen, K.; Naumov, P.

2016-06-27

We report on the effect of hydrostatic pressure on the magnetic and structural properties of the shape-memory Heusler alloy Ni{sub 50}Mn{sub 35}In{sub 15}. 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 longer indications of ferromagnetic ordering. We further find an extended temperature region with a mixture of martensite and austenite phases, which directly relates to themore » magnetic properties.« less

High pressure study of Pu(0.92)Am(0.08) binary alloy.

PubMed

Klosek, V; Griveau, J C; Faure, P; Genestier, C; Baclet, N; Wastin, F

2008-07-09

The phase transitions (by means of x-ray diffraction) and electrical resistivity of a Pu(0.92)Am(0.08) binary alloy were determined under pressure (up to 2 GPa). The evolution of atomic volume with pressure gives detailed information concerning the degree of localization of 5f electronic states and their delocalization process. A quasi-linear V = f(P) dependence reflects subtle modifications of the electronic structure when P increases. The electrical resistivity measurements reveal the very high stability of the δ phase for pressures less than 0.7 GPa, since no martensitic-like transformation occurs at low temperature. Remarkable electronic behaviours have also been observed. Finally, resistivity curves have shown the temperature dependence of the phase transformations together with unexpected kinetic effects.

High strength, tough alloy steel

DOEpatents

Thomas, Gareth; Rao, Bangaru V. N.

1979-01-01

A high strength, tough alloy steel is formed by heating the steel to a temperature in the austenite range (1000.degree.-1100.degree. C.) to form a homogeneous austenite phase and then cooling the steel to form a microstructure of uniformly dispersed dislocated martensite separated by continuous thin boundary films of stabilized retained austenite. The steel includes 0.2-0.35 weight % carbon, at least 1% and preferably 3-4.5% chromium, and at least one other substitutional alloying element, preferably manganese or nickel. The austenite film is stable to subsequent heat treatment as by tempering (below 300.degree. C.) and reforms to a stable film after austenite grain refinement.

Nano-Ni induced surface modification relevant to the hydrogenation performances in La-Mg based alloys

NASA Astrophysics Data System (ADS)

Zhang, Huaiwei; Fu, Li; Xuan, Weidong; Li, Xingguo

2018-05-01

Nano-Ni drived modification in LaMg3/Ni composite is investigated. The new phases of LaMg2 and MgNi2 can be formed on the sample surface during the milling process. There is almost no electric charge transfer process between Ni and La element through XPS analyses. The amorphization structure can be found on the alloy surface with the increasing of reaction duration, and the capacity and cycle stability are also greatly promoted. On the other hand, the milled alloys show the lower charge transfer resistance, better anti-corrosion ability and higher oxidation current density.

Accelerated Irradiations for High Dose Microstructures in Fast Reactor Alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiao, Zhijie

The objective of this project is to determine the extent to which high dose rate, self-ion irradiation can be used as an accelerated irradiation tool to understand microstructure evolution at high doses and temperatures relevant to advanced fast reactors. We will accomplish the goal by evaluating phase stability and swelling of F-M alloys relevant to SFR systems at very high dose by combining experiment and modeling in an effort to obtain a quantitative description of the processes at high and low damage rates.

Investigation of High Temperature Ductility Losses in Alpha-Beta Titanium Alloys

DTIC Science & Technology

1988-04-01

Gleeble simulation of GTAW thermal _ cycles, Figure 1.1 (6). They found that Ti-6AI-4V (Ti-64), Ti-6A1-2Nb-lTa-0.8Mo (Ti-6211), and Ti-6AI suffered...or weak beta stabilizers depending on the other alloying elements present. Vanadium, molybdenum, tantalum, niobium, chromium , silicon, copper...elements. Chromium , - silicon, copper, manganese, cobalt, iron, and hydrogen are all eutectic formers. A schematic binary phase diagram of a 0 beta

Structure and Properties of Titanium Tantalum Alloys for Biocompatibility

NASA Astrophysics Data System (ADS)

Huber, Daniel E.

In this thesis, the phase stability and elastic modulus of Ti-Ta simple binary alloys as well as alloys with small additions of ternary elements have been studied. The binary alloy from a nominal 8 to 28 wt.% Ta was first explored using a combinatorial approach. This approach included Laser Engineered Net Shape (LENSTM) processing of materials and subsequent characterization by instrumented indentation and site specific Transmission Electron Microscopy (TEM). The composition range of 15 to 75 wt.% Ta was further explored by more traditional methods that included vacuum arc melting high purity elements, X-Ray Diffraction (XRD) and modulus measurements made by ultrasonic methods. Beyond the simple binary, alloys with low levels of ternary elements, oxygen, aluminum, zirconium and small additions of rare earth oxides were investigated. The crystal structure with space group Cmcm was chosen for it applicability with P63/mmc and Im-3¯m sub group / super group symmetry. This provides a consistent crystal structure framework for the purpose of studying the alpha to beta transformation pathway and associated alpha' and alpha'' martensitic phases. In this case, the pathway is defined by both the lattice parameters and the value of the parameter "y", where the parameter "y" describes the atomic positions of the [002]alpha plane. It was found that the lattice parameter changes in the Ti-Ta binary alloys are similar to structures reported for compositions in the Ti-Nb system of similar atomic percentages. Although samples produced by the LENSTM; process and characterized by instrumented indentation demonstrated the correct trends in modulus behavior, absolute agreement was not seen with modulus values published in literature. Alloys of the binary Ti-Ta system produced from high purity materials do indeed show close agreement with literature where there exist two minima of modulus near the compositions of Ti-28Ta wt.% and Ti-68Ta wt.%. These two minima occur at the discreet boundary between alpha' / alpha'' and alpha'' / beta respectively. The role of oxygen as an alloying addition was studied as it relates to the stability of alpha' and alpha'' martensite, here it was found that oxygen will stabilize alpha' yet cause an increase in the Young's modulus. Rare earth additions to getter interstitial oxygen in the high purity materials show no further reduction in modulus. Conversely, additions of another alpha stabilizer, Al, proved to lower the alpha' stability, with one composition exhibiting a modulus as low as 53 GPa. Zirconium being a neutral element regarding alpha and beta stability slightly changed the structure and lattice parameter, while making a little or no difference in the observed modulus. Observations by TEM of quenched specimens indicate the rise in modulus observed between the two minima is not caused the appearance of o. Rather weak o reflections were observed in Ti-65Ta wt.% in the as arc-melted condition and on annealing for 450°C for 24 hours. Precipitates of o were not clearly identified by dark-field TEM imaging. High Resolution Scanning Transmission Electron Microscopy (HRSTEM) of the aged specimen indicated that o might exist as 3-5nm particles.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ji, Yanzhou; Heo, Tae Wook; Zhang, Fan

Here we present our theoretical assessment of the kinetic pathways during phase transformations of multi-component Ti alloys. Employing the graphical thermodynamic approach and an integrated free energy function based on the realistic thermodynamic database and assuming that a displacive structural transformation occurs much faster than long-range diffusional processes, we analyze the phase stabilities of Ti-6Al -4V (Ti-6wt.%Al -4wt.%V). Our systematic analyses predict a variety of possible kinetic pathways for β to (α + β) transformations leading to different types of microstructures under various heat treatment conditions. In addition, the possibility of unconventional kinetic pathways is discussed. Lastly, we also brieflymore » discuss the application of our approach to general multicomponent/multiphase alloy systems.« less

Effects of Different Boron Compounds on the Corrosion Resistance of Andalusite-Based Low-Cement Castables in Contact with Molten Al Alloy

NASA Astrophysics Data System (ADS)

Adabifiroozjaei, Esmaeil; Koshy, Pramod; Sorrell, Charles Chris

2012-02-01

Interfacial reactions between Al alloy and andalusite low-cement castables (LCCs) containing 5 wt pct B2O3, B4C, and BN were analyzed at 1123 K and 1433 K (850 °C and 1160 °C) using the Alcoa cup test. The results showed that the addition of boron-containing materials led to the formation of aluminoborate (9Al2O3.2B2O3) and glassy phase containing boron in the prefiring temperature (1373 K [1100 °C]), which consequently improved the corrosion resistance of the refractories. The high heat of formation of the aluminoborate phase (which increased its stability to reactions with molten Al alloy) and the low solubility of boron in molten Al were the major factors that contributed to the improvement in the corrosion resistance of B-doped samples.

Superelasticity, corrosion resistance and biocompatibility of the Ti-19Zr-10Nb-1Fe alloy.

PubMed

Xue, Pengfei; Li, Yan; Li, Kangming; Zhang, Deyuan; Zhou, Chungen

2015-05-01

Microstructure, mechanical properties, superelasticity and biocompatibility of a Ti-19Zr-10Nb-1Fe alloy are investigated. X-ray diffraction spectroscopy and transmission electron microscopy observations show that the as-cast Ti-19Zr-10Nb-1Fe alloy is composed of α' and β phases, but only the β phase exists in the as-rolled and as-quenched alloys. The tensile stress-strain tests indicate that the as-quenched alloy exhibits a good combination of mechanical properties with a large elongation of 25%, a low Young's modulus of 59 GPa and a high ultimate tensile stress of 723 MPa. Superelastic recovery behavior is found in the as-quenched alloy during tensile tests, and the corresponding maximum of superelastic strain is 4.7% at the pre-strain of 6%. A superelastic recovery of 4% with high stability is achieved after 10 cyclic loading-unloading training processes. Potentiodynamic polarization and ion release measurements indicate that the as-quenched alloy shows a lower corrosion rate in Hank's solution and a much less ion release rate in 0.9% NaCl solution than those of the NiTi alloys. Cell culture results indicate that the osteoblasts' adhesion and proliferation are similar on both the Ti-19Zr-10Nb-1Fe and NiTi alloys. A better hemocompatibility is confirmed for the as-quenched Ti-19Zr-10Nb-1Fe alloy, attributed to more stable platelet adhesion and small activation degree, and a much lower hemolysis rate compared with the NiTi alloy. Copyright © 2015 Elsevier B.V. All rights reserved.

High-Strength Ultra-Fine-Grained Hypereutectic Al-Si-Fe-X (X = Cr, Mn) Alloys Prepared by Short-Term Mechanical Alloying and Spark Plasma Sintering.

PubMed

Průša, Filip; Bláhová, Markéta; Vojtěch, Dalibor; Kučera, Vojtěch; Bernatiková, Adriana; Kubatík, Tomáš František; Michalcová, Alena

2016-11-30

In this work, Al-20Si-10Fe-6Cr and Al-20Si-10Fe-6Mn (wt %) alloys were prepared by a combination of short-term mechanical alloying and spark plasma sintering. The microstructure was composed of homogeneously dispersed intermetallic particles forming composite-like structures. X-ray diffraction analysis and TEM + EDS analysis determined that the α-Al along with α-Al 15 (Fe,Cr)₃Si₂ or α-Al 15 (Fe,Mn)₃Si₂ phases were present, with dimensions below 130 nm. The highest hardness of 380 ± 7 HV5 was observed for the Al-20Si-10Fe-6Mn alloy, exceeding the hardness of the reference as-cast Al-12Si-1Cu-1 Mg-1Ni alloy (121 ± 2 HV5) by nearly a factor of three. Both of the prepared alloys showed exceptional thermal stability with the hardness remaining almost the same even after 100 h of annealing at 400 °C. Additionally, the compressive strengths of the Al-20Si-10Fe-6Cr and Al-20Si-10Fe-6Mn alloys reached 869 MPa and 887 MPa, respectively, and had virtually the same values of 870 MPa and 865 MPa, respectively, even after 100 h of annealing. More importantly, the alloys showed an increase in ductility at 400 °C, reaching several tens of percent. Thus, both of the investigated alloys showed better mechanical properties, including superior hardness, compressive strength and thermal stability, as compared to the reference Al-10Si-1Cu-1Mg-1Ni alloy, which softened remarkably, reducing its hardness by almost 50% to 63 ± 8 HV5.

High-Strength Ultra-Fine-Grained Hypereutectic Al-Si-Fe-X (X = Cr, Mn) Alloys Prepared by Short-Term Mechanical Alloying and Spark Plasma Sintering

PubMed Central

Průša, Filip; Bláhová, Markéta; Vojtěch, Dalibor; Kučera, Vojtěch; Bernatiková, Adriana; Kubatík, Tomáš František; Michalcová, Alena

2016-01-01

In this work, Al-20Si-10Fe-6Cr and Al-20Si-10Fe-6Mn (wt %) alloys were prepared by a combination of short-term mechanical alloying and spark plasma sintering. The microstructure was composed of homogeneously dispersed intermetallic particles forming composite-like structures. X-ray diffraction analysis and TEM + EDS analysis determined that the α-Al along with α-Al15(Fe,Cr)3Si2 or α-Al15(Fe,Mn)3Si2 phases were present, with dimensions below 130 nm. The highest hardness of 380 ± 7 HV5 was observed for the Al-20Si-10Fe-6Mn alloy, exceeding the hardness of the reference as-cast Al-12Si-1Cu-1 Mg-1Ni alloy (121 ± 2 HV5) by nearly a factor of three. Both of the prepared alloys showed exceptional thermal stability with the hardness remaining almost the same even after 100 h of annealing at 400 °C. Additionally, the compressive strengths of the Al-20Si-10Fe-6Cr and Al-20Si-10Fe-6Mn alloys reached 869 MPa and 887 MPa, respectively, and had virtually the same values of 870 MPa and 865 MPa, respectively, even after 100 h of annealing. More importantly, the alloys showed an increase in ductility at 400 °C, reaching several tens of percent. Thus, both of the investigated alloys showed better mechanical properties, including superior hardness, compressive strength and thermal stability, as compared to the reference Al-10Si-1Cu-1Mg-1Ni alloy, which softened remarkably, reducing its hardness by almost 50% to 63 ± 8 HV5. PMID:28774094

Multimodal Nanoscale Characterization of Transformation and Deformation Mechanisms in Several Nickel Titanium Based Shape Memory Alloys

NASA Astrophysics Data System (ADS)

Casalena, Lee

The development of viable high-temperature shape memory alloys (HTSMAs) demands a coordinated multimodal characterization effort linking nanoscale crystal structure to macroscale thermomechanical properties. In this work, several high performance NiTi-based shape memory alloys are comprehensively explored with the goal of gaining insight into the complex transformation and deformation mechanisms responsible for their remarkable behavior. Through precise control of alloying and aging parameters, microstructures are optimized to enhance properties such as high-temperature strength and stability. These are crucial requirements for the development of advanced applications such as actuators and adaptive components that operate in demanding automotive and aerospace environments. An array of NiTiHf and NiTiAu alloys are at the core of this effort, offering the possibility of increased capability over traditional pneumatic and hydraulic systems, while simultaneously reducing weight and energy requirements. NiTi-20Hf alloys exhibit a favorable balance of properties, including high strength, stability, and work output at temperatures in excess of 150 °C. The raw material cost of Hf is also much lower compared with Pt, Pd, and Au containing counterparts. Advanced scanning transmission electron microscopy (STEM) and synchrotron X-ray characterization techniques are used to explore unusual nanoscale effects of precipitate-matrix interactions, coherency strain, and dislocation activity in these alloys. Novel use of the 4D STEM strain mapping technique is used to quantify strain fields associated with precipitates, which are being coupled with new phase field modeling approaches to particle/defect interactions. Volume fractions of nanoscale precipitates are measured using STEM-based tomography techniques, atom probe tomography, and synchrotron diffraction of bulk samples. Plastic deformation of the HTSMA austenite phase is shown to occur through B2 type slip for the first time. NiTiAu alloys are shown to demonstrate work output at extremely high temperatures - above 400 °C - where the potential benefits may offset material cost. Crystal structures and chemical effects of previously undocumented secondary phases are extensively examined using STEM and X-ray energy dispersive spectroscopy (XEDS). These insights are combined with mechanical test data to develop an understanding of the critical microstructure-property relationships involved. In addition to the native corrosion resistance common to all these alloys, a nickel rich NiTi-1Hf alloy is shown to demonstrate extremely high strength and wear resistance, making it an ideal candidate for tribological applications such as bearings used in corrosive environments. Details of the stress-induced martensite phase are revealed in this alloy system using synchrotron radiation and aberration-corrected STEM. Finally, post mortem Transmission Kikuchi Diffraction (TKD) and in situ High Energy Diffraction Microscopy (HEDM) are used to explore the remarkable grain refinement process that occurs in NiTi and related alloys through load-biased thermal cycling. Microstructural changes in the form of defect generation and subgrain development are key mechanistic insights sought to further understand the processes resulting in unrecovered strain accumulation, which lead to detrimental functional fatigue in these alloys.

Additive Manufacturing of Hierarchical Multi-Phase High-Entropy Alloys for Nuclear Component

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Nan

In recent years, high entropy alloys (HEAs), composed of four or more metallic elements mixed in equal or near equal atomic percent, have attracted significant attention due to their excellent mechanical properties and good corrosion resistance. They show significant promise as candidates for high temperature fission and fusion structural applications. However, the conventional synthesis methods are unlikely to present an industrially suitable route for the production and use of HEAs. Recognizing rapidly evolving additive manufacturing (AM) techniques, the goal of this proposal is to optimize the AM process to fabricate HEAs with predesigned chemical compositions and phase morphologies for nuclearmore » components. For this project, two HEAs FeCrNiMn and FeCrNiMnAl have been successfully synthesized. Correlated mechanical response has been systematically characterized under a variety of laser processing and ion irradiations. Both high entropy alloys are found to present comparable swelling and extraordinary irradiation tolerance (limited voids and stabilized phase structure under high irradiation dose). In addition, the microstructure and radiation-induced hardening can be tailored by laser processing under additive manufacturing. And we have assembled at LANL a unique database of HEAs containing a total of 674 compositions with Phase Stability information. Based on this, the machine learning and Artificial Intelligence capability now are established to predict the microstructure of casted HEAs by given chemical compositions. This unique integration will lead to an optimal AM recipe for fabricating radiation tolerant HEAs. The development of both modeling models and experimental capability will also benefit other programs at LANL.« less

Are new TiNbZr alloys potential substitutes of the Ti6Al4V alloy for dental applications? An electrochemical corrosion study.

PubMed

Ribeiro, Ana Lúcia Roselino; Hammer, Peter; Vaz, Luís Geraldo; Rocha, Luís Augusto

2013-12-01

The main aim of this work was to assess the electrochemical behavior of new Ti35Nb5Zr and Ti35Nb10Zr alloys in artificial saliva at 37 °C to verify if they are indicated to be used as biomaterials in dentistry as alternatives to Ti6Al4V alloys in terms of corrosion protection efficiency of the material. Electrochemical impedance spectroscopy (EIS) experiments were carried out for different periods of time (0.5-216 h) in a three-electrode cell, where the working electrode (Ti alloys) was exposed to artificial saliva at 37 °C. The near-surface region of the alloys was investigated using x-ray photoelectron spectroscopy (XPS). All alloys exhibited an increase in corrosion potential with the immersion time, indicating the growth and stabilization of the passive film. Ti35Nb5Zr and Ti6Al4V alloys had their EIS results interpreted by a double-layer circuit, while the Ti35Nb10Zr alloy was modeled by a one-layer circuit. In general, the new TiNbZr alloys showed similar behavior to that observed for the Ti6Al4V. XPS results suggest, in the case of the TiNbZr alloys, the presence of a thicker passive layer containing a lower fraction of TiO2 phase than that of Ti6Al4V. After long-term immersion, all alloys develop a calcium phosphate phase on the surface. The new TiNbZr alloys appear as potential candidates to be used as a substitute to Ti6Al4V in the manufacturing of dental implant-abutment sets.

Novel Heating-Induced Reversion during Crystallization of Al-based Glassy Alloys

NASA Astrophysics Data System (ADS)

Han, F. F.; Inoue, A.; Han, Y.; Kong, F. L.; Zhu, S. L.; Shalaan, E.; Al-Marzouki, F.; Greer, A. L.

2017-04-01

Thermal stability and crystallization of three multicomponent glassy alloys, Al86Y7Ni5Co1Fe0.5Pd0.5, Al85Y8Ni5Co1Fe0.5Pd0.5 and Al84Y9Ni4Co1.5Fe0.5Pd1, were examined to assess the ability to form the mixture of amorphous (am) and fcc-aluminum (α-Al) phases. On heating, the glass transition into the supercooled liquid is shown by the 85Al and 84Al glasses. The crystallization sequences are [am] → [am + α-Al] → [α-Al + compounds] for the 86Al and 85Al alloys, and [am] → [am + α-Al + cubic AlxMy (M = Y, Ni, Co, Fe, Pd)] → [am + α-Al] → [α-Al + Al3Y + Al9(Co, Ni)2 + unknown phase] for the 84Al alloy. The glass transition appears even for the 85Al alloy where the primary phase is α-Al. The heating-induced reversion from [am + α-Al + multicomponent AlxMy] to [am + α-Al] for the 84Al alloy is abnormal, not previously observed in crystallization of glassy alloys, and seems to originate from instability of the metastable AlxMy compound, in which significant inhomogeneous strain is caused by the mixture of solute elements. This novel reversion phenomenon is encouraging for obtaining the [am + α-Al] mixture over a wide range of high temperature effective for the formation of Al-based high-strength nanostructured bulk alloys by warm working.

Novel Heating-Induced Reversion during Crystallization of Al-based Glassy Alloys.

PubMed

Han, F F; Inoue, A; Han, Y; Kong, F L; Zhu, S L; Shalaan, E; Al-Marzouki, F; Greer, A L

2017-04-13

Thermal stability and crystallization of three multicomponent glassy alloys, Al 86 Y 7 Ni 5 Co 1 Fe 0.5 Pd 0.5 , Al 85 Y 8 Ni 5 Co 1 Fe 0.5 Pd 0.5 and Al 84 Y 9 Ni 4 Co 1.5 Fe 0.5 Pd 1 , were examined to assess the ability to form the mixture of amorphous (am) and fcc-aluminum (α-Al) phases. On heating, the glass transition into the supercooled liquid is shown by the 85Al and 84Al glasses. The crystallization sequences are [am] → [am + α-Al] → [α-Al + compounds] for the 86Al and 85Al alloys, and [am] → [am + α-Al + cubic Al x M y (M = Y, Ni, Co, Fe, Pd)] → [am + α-Al] → [α-Al + Al 3 Y + Al 9 (Co, Ni) 2  + unknown phase] for the 84Al alloy. The glass transition appears even for the 85Al alloy where the primary phase is α-Al. The heating-induced reversion from [am + α-Al + multicomponent Al x M y ] to [am + α-Al] for the 84Al alloy is abnormal, not previously observed in crystallization of glassy alloys, and seems to originate from instability of the metastable Al x M y compound, in which significant inhomogeneous strain is caused by the mixture of solute elements. This novel reversion phenomenon is encouraging for obtaining the [am + α-Al] mixture over a wide range of high temperature effective for the formation of Al-based high-strength nanostructured bulk alloys by warm working.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moraes, Paulo E.L., E-mail: pauloeduardo.leitedemoraes@gmail.com; Contieri, Rodrigo J., E-mail: contieri@fem.unicamp.br; Lopes, Eder S.N., E-mail: ederlopes@fem.unicamp.br

Ti and Ti alloys are widely used in restorative surgery because of their good biocompatibility, enhanced mechanical behavior and high corrosion resistance in physiological media. The corrosion resistance of Ti-based materials is due to the spontaneous formation of the TiO{sub 2} oxide film on their surface, which exhibits elevated stability in biological fluids. Ti–Nb alloys, depending on the composition and the processing routes to which the alloys are subjected, have high mechanical strength combined with low elastic modulus. The addition of Sn to Ti–Nb alloys allows the phase transformations to be controlled, particularly the precipitation of ω phase. The aimmore » of this study is to discuss the microstructure, mechanical properties and corrosion behavior of cast Ti–Nb alloys to which Sn has been added. Samples were centrifugally cast in a copper mold, and the microstructure was characterized using optical microscopy, scanning electron microscopy and X-ray diffractometry. Mechanical behavior evaluation was performed using Berkovich nanoindentation, Vickers hardness and compression tests. The corrosion behavior was evaluated in Ringer's solution at room temperature using electrochemical techniques. The results obtained suggested that the physical, mechanical and chemical behaviors of the Ti–Nb–Sn alloys are directly dependent on the Sn content. - Graphical abstract: Effects of Sn addition to the Ti–30Nb alloy on the elastic modulus. - Highlights: • Sn addition causes reduction of the ω phase precipitation. • Minimum Vickers hardness and elastic modulus occurred for 6 wt.% Sn content. • Addition of 6 wt.% Sn resulted in maximum ductility and minimum compression strength. • All Ti–30Nb–XSn (X = 0, 2, 4, 6, 8 and 10%) alloys are passive in Ringer's solution. • Highest corrosion resistance was observed for 6 wt.% Sn content.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Halevy, I.; Zamir, G; Winterrose, M

The phase stability of a commercial purity (Ti-CP), high purity (Ti-HP) and Ti-6Al-4V alloy were investigated in a diamond anvil cell up to 32 GPa and 298 K using a polychromatic X-ray beam. The Ti-CP and Ti-HP shown the same HCP (c/a {approx} 0.632) to Hexagonal (c/a {approx} 1.63) non reversible martensitic transition at about 9 GPa. The as received Ti-6Al-4V shows a very low relative volume fraction {beta}-Ti/{alpha}-Ti. No phase changes were observed in the Ti-6Al-4V alloy in the pressure range of this study. The {alpha} phase of the Ti-6Al-4V shows monotonic volume cell pressure dependence. This volume changemore » is reversible and non-hysteretic. The cell of the a phase recovered its original volume when the pressure was released.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, Xiangyu

The ordering transformation occurring in a model Ni-Cr-W superalloy during prolonged exposure to proper temperature has been investigated systematically. It is demonstrated that nanometer-sized precipitates with a DO{sub 22} structure can precipitate in the Ni-Cr-W alloy by means of simple aging treatment at 650–700 °C. The mechanism of transformation to DO{sub 22} superlattice has been determined to be continuous ordering based on the results of high resolution transmission electron microscopy investigation and variation trend in Vickers microhardness. Different variants of DO{sub 22} phase can coexist in the matrix with no signs of overaging as aging time increases, indicating it hasmore » a high thermal stability. The precipitates of DO{sub 22} superlattice has been found to be of ellipsoidal shape which results in the greatest reduction of strain energy. The interfaces between DO{sub 22} precipitates and matrix have been revealed to be coherent at the atomic scale, resulting in considerable coherency strain attributing to the lattice misfit between DO{sub 22} particle and matrix. Because of the high-density nanometer-sized DO{sub 22} phase, the microhardness of the alloy has been improved remarkably after aging treatment. - Graphical abstract: Different variants of the DO{sub 22} superlattice can coexist in the matrix, and the interface between precipitate and the matrix remain coherence at the atomic scale. The three dimensional form of the DO{sub 22} precipitates constructed from three mutually perpendicular projections is an ellipsoidal stick, and the directions of elongations are along the longest axis of the unit cell for DO{sub 22} phase. - Highlights: •The DO{sub 22} phase precipitated in the Ni-Cr-W alloy has a high thermal stability. •The morphology of DO{sub 22} superlattice has been determined to be ellipsoid. •The interface between DO{sub 22} phase and matrix are fully coherent at the atomic scale. •Different variants of DO{sub 22} phase occur equiprobably. •The alloy strength can be improved dramatically by the nanoscale DO{sub 22} particles.« less

Specific features of defect and mass transport in concentrated fcc alloys

DOE PAGES

Osetsky, Yuri N.; Béland, Laurent K.; Stoller, Roger E.

2016-06-15

We report that diffusion and mass transport are basic properties that control materials performance, such as phase stability, solute decomposition and radiation tolerance. While understanding diffusion in dilute alloys is a mature field, concentrated alloys are much less studied. Here, atomic-scale diffusion and mass transport via vacancies and interstitial atoms are compared in fcc Ni, Fe and equiatomic Ni-Fe alloy. High temperature properties were determined using conventional molecular dynamics on the microsecond timescale, whereas the kinetic activation-relaxation (k-ART) approach was applied at low temperatures. The k-ART was also used to calculate transition states in the alloy and defect transport coefficients.more » The calculations reveal several specific features. For example, vacancy and interstitial defects migrate via different alloy components, diffusion is more sluggish in the alloy and, notably, mass transport in the concentrated alloy cannot be predicted on the basis of diffusion in its pure metal counterparts. Lastly, the percolation threshold for the defect diffusion in the alloy is discussed and it is suggested that this phenomenon depends on the properties and diffusion mechanisms of specific defects.« less

The effect of Mn and B on the magnetic and structural properties of nanostructured Fe60Al40 alloys produced by mechanical alloying.

PubMed

Rico, M M; Alcázar, G A Pérez; Zamora, L E; González, C; Greneche, J M

2008-06-01

The effect of Mn and B on the magnetic and structural properties of nanostructured samples of the Fe60Al40 system, prepared by mechanical alloying, was studied by 57Fe Mössbauer spectrometry, X-ray diffraction and magnetic measurements. In the case of the Fe(60-x)Mn(x)Al40 system, 24 h milling time is required to achieve the BCC ternary phase. Different magnetic structures are observed according to the temperature and the Mn content for alloys milled during 48 h: ferromagnetic, antiferromagnetic, spin-glass, reentrant spin-glass and superparamagnetic behavior. They result from the bond randomness behaviour induced by the atomic disorder introduced by the MA process and from the competitive interactions of the Fe-Fe ferromagnetic interactions and the Mn-Mn and Fe-Mn antiferromagnetic interactions and finally the presence of Al atoms acting as dilutors. When B is added in the Fe60Al40 alloy and milled for 12 and 24 hours, two crystalline phases were found: a prevailing FeAl BCC phase and a Fe2B phase type. In addition, one observes an additional contribution attributed to grain boundaries which increases when both milling time and boron composition increase. Finally Mn and B were added to samples of the Fe60Al40 system prepared by mechanical alloying during 12 and 24 hours. Mn content was fixed to 10 at.% and B content varied between 0 and 20 at.%, substituting Al. X-ray patterns show two crystalline phases, the ternary FeMnAl BCC phase, and a (Fe,Mn)2B phase type. The relative proportion of the last phase increases when the B content increases, in addition to changes of the grain size and the lattice parameter. Such behavior was observed for both milling periods. On the other hand, the magnetic hyperfine field distributions show that both phases exhibit chemical disorder, and that the contribution attributed to the grain boundaries is less important when the B content increases. Coercive field values of about 10(2) Oe slightly increase with boron content. Comparison with previous results on FeAIB alloys shows that Mn promotes the structural stability of the nanostructured powders.

Enhancement of Strength and Ductility of Mg96Zn2Y2 Rolled Sheet by Controlling Structure and Plastic Deformation

NASA Astrophysics Data System (ADS)

Noda, Masafumi; Kawamura, Yoshihito; Sakurai, Hiroshi; Funami, Kunio

Mg-Zn-Y alloys are well known to possess greatly enhanced strength during plastic deformation because of the presence of kink bands in the LPSO phase and refinement of the grains of the alpha Mg phase. On the other hand, Mg-rare earth (RE) and Mg-Zn-RE alloys with a long period stacking order (LPSO) phase show a high tensile yield strength when subjected to an extrusion process but it is not known whether the LPSO and alpha Mg phases develop during plastic deformation. We examined the effect of the finely dispersed LPSO phase and the alpha Mg phase on the development of high strength in sheets of Mg96Zn2Y2 subjected to a few passes of rolling. The mechanical properties and thermal stability of the alloy were also investigated. The tensile yield strength of rolled sheets of Mg96Zn2Y2 was 360 MPa and its elongation was 5% when the material was subjected to thermomechanically controlled processing at 673 K with a four-pass rolling schedule. However, the tensile yield strength decreased and the elongation increased at annealing temperature of 623 K or above, because of the presence of grain growth in the alpha Mg phase and the restoration of kink bands in the LPSO phase.

Mechanisms of radiation-induced segregation in CrFeCoNi-based single-phase concentrated solid solution alloys

DOE PAGES

He, Mo-Rigen; Wang, Shuai; Shi, Shi; ...

2016-12-31

Single-phase concentrated solid solution alloys have attracted wide interest due to their superior mechanical properties and enhanced radiation tolerance, which make them promising candidates for the structural applications in next-generation nuclear reactors. However, little has been understood about the intrinsic stability of their as-synthesized, high-entropy configurations against radiation damage. In this paper, we report the element segregation in CrFeCoNi, CrFeCoNiMn, and CrFeCoNiPd equiatomic alloys when subjected to 1250 kV electron irradiations at 400 °C up to a damage level of 1 displacement per atom. Cr/Fe/Mn/Pd can deplete and Co/Ni can accumulate at radiation-induced dislocation loops, while the actively segregating elementsmore » are alloy-specific. Moreover, electron-irradiated matrix of CrFeCoNiMn and CrFeCoNiPd shows L1 0 (NiMn)-type ordering decomposition and <001>-oriented spinodal decomposition between Co/Ni and Pd, respectively. Finally, these findings are rationalized based on the atomic size difference and enthalpy of mixing between the alloying elements, and identify a new important requirement to the design of radiation-tolerant alloys through modification of the composition.« less

Statistical physics of multicomponent alloys using KKR-CPA

DOE PAGES

Khan, Suffian N.; Staunton, Julie B.; Stocks, George Malcolm

2016-02-16

We apply variational principles from statistical physics and the Landau theory of phase transitions to multicomponent alloys using the multiple-scattering theory of Korringa-Kohn-Rostoker (KKR) and the coherent potential approximation (CPA). This theory is a multicomponent generalization of the S( 2) theory of binary alloys developed by G. M. Stocks, J. B. Staunton, D. D. Johnson and others. It is highly relevant to the chemical phase stability of high-entropy alloys as it predicts the kind and size of finite-temperature chemical fluctuations. In doing so it includes effects of rearranging charge and other electronics due to changing site occupancies. When chemical fluctuationsmore » grow without bound an absolute instability occurs and a second-order order-disorder phase transition may be inferred. The S( 2) theory is predicated on the fluctuation-dissipation theorem; thus we derive the linear response of the CPA medium to perturbations in site-dependent chemical potentials in great detail. The theory lends itself to a natural interpretation in terms of competing effects: entropy driving disorder and favorable pair interactions driving atomic ordering. Moreover, to further clarify interpretation we present results for representative ternary alloys CuAgAu, NiPdPt, RhPdAg, and CoNiCu within a frozen charge (or band-only) approximation. These results include the so-called Onsager mean field correction that extends the temperature range for which the theory is valid.« less

First-principles studies of hydrogen interaction with ultrathin Mg and Mg-based alloy films

NASA Astrophysics Data System (ADS)

Yoon, Mina; Weitering, Hanno H.; Zhang, Zhenyu

2011-01-01

The search for technologically and economically viable storage solutions for hydrogen fuel would benefit greatly from research strategies that involve systematic property tuning of potential storage materials via atomic-level modification. Here, we use first-principles density-functional theory to investigate theoretically the structural and electronic properties of ultrathin Mg films and Mg-based alloy films and their interaction with atomic hydrogen. Additional delocalized charges are distributed over the Mg films upon alloying them with 11.1% of Al or Na atoms. These extra charges contribute to enhance the hydrogen binding strength to the films. We calculated the chemical potential of hydrogen in Mg films for different dopant species and film thickness, and we included the vibrational degrees of freedom. By comparing the chemical potential with that of free hydrogen gas at finite temperature (T) and pressure (P), we construct a hydrogenation phase diagram and identify the conditions for hydrogen absorption or desorption. The formation enthalpies of metal hydrides are greatly increased in thin films, and in stark contrast to its bulk phase, the hydride state can only be stabilized at high P and T (where the chemical potential of free H2 is very high). Metal doping increases the thermodynamic stabilities of the hydride films and thus significantly helps to reduce the required pressure condition for hydrogen absorption from H2 gas. In particular, with Na alloying, hydrogen can be absorbed and/or desorbed at experimentally accessible T and P conditions.

Solid solution strengthened duct and cladding alloy D9-B1

DOEpatents

Korenko, Michael K.

1983-01-01

A modified AISI type 316 stainless steel is described for use in an atmosphere where the alloy will be subject to neutron irradiation. The alloy is characterized by its phase stability in both the annealed as well as cold work condition and above all by its superior resistance to radiation induced swelling. Graphical data is included to demonstrate the superior swelling resistance of the alloy which contains from about 0.5% to 2.2% manganese, from about 0.7% to about 1.1% silicon, from about 12.5% to 14% chromium, from about 14.5% to about 16.5% nickel, from about 1.2% to about 1.6% molybdenum, from 0.15% to 0.30% titanium, from 0.02% to 0.08% zirconium, and the balance iron with incidental impurities.

Structural, electronic, magnetic and thermodynamic properties of Ni1-xTixO alloys an ab initio calculation and Monte Carlo study

NASA Astrophysics Data System (ADS)

Klaa, K.; Labidi, S.; Masrour, R.; Jabar, A.; Labidi, M.; Amara, A.; Drici, A.; Hlil, E. K.; Ellouze, M.

2018-06-01

Structural, electronic, magnetic and thermodynamic main features for Ni1-xTixO ternary alloys in rock-salt structure with Ti content in the range ? were studied using the full potential Linearized augmented plane wave (FP-LAPW) method within density functional theory. The exchange-correlation potential was calculated by the generalized gradient approximation. The analysis of the electronic density of states curves allowed the computation of the magnetic moments which are considered to lie along (010) axes. The thermodynamic stability of this alloy was investigated by calculating the excess enthalpy of mixing ? as well as the phase diagram. In addition, the Monte Carlo simulations have been exploited to calculate the transition temperature and magnetic coercive field in the alloy.

Optimization of Processing and Modeling Issues for Thin Film Solar Cell Devices Including Concepts for The Development of Polycrystalline Multijunctions: Annual Report; 24 August 1998-23 August 1999

DOE Office of Scientific and Technical Information (OSTI.GOV)

Birkmire, R.W.; Phillips, J.E.; Shafarman, W.N.

2000-08-25

This report describes results achieved during phase 1 of a three-phase subcontract to develop and understand thin-film solar cell technology associated to CuInSe{sub 2} and related alloys, a-Si and its alloys, and CdTe. Modules based on all these thin films are promising candidates to meet DOE long-range efficiency, reliability, and manufacturing cost goals. The critical issues being addressed under this program are intended to provide the science and engineering basis for the development of viable commercial processes and to improve module performance. The generic research issues addressed are: (1) quantitative analysis of processing steps to provide information for efficient commercial-scalemore » equipment design and operation; (2) device characterization relating the device performance to materials properties and process conditions; (3) development of alloy materials with different bandgaps to allow improved device structures for stability and compatibility with module design; (4) development of improved window/heterojunction layers and contacts to improve device performance and reliability; and (5) evaluation of cell stability with respect to illumination, temperature, and ambient and with respect to device structure and module encapsulation.« less

Laser-assisted development of titanium alloys: the search for new biomedical materials

NASA Astrophysics Data System (ADS)

Almeida, Amelia; Gupta, Dheeraj; Vilar, Rui

2011-02-01

Ti-alloys used in prosthetic applications are mostly alloys initially developed for aeronautical applications, so their behavior was not optimized for medical use. A need remains to design new alloys for biomedical applications, where requirements such as biocompatibility, in-body durability, specific manufacturing ability, and cost effectiveness are considered. Materials for this application must present excellent biocompatibility, ductility, toughness and wear and corrosion resistance, a large laser processing window and low sensitivity to changes in the processing parameters. Laser deposition has been investigated in order to access its applicability to laser based manufactured implants. In this study, variable powder feed rate laser cladding has been used as a method for the combinatorial investigation of new alloy systems that offers a unique possibility for the rapid and exhaustive preparation of a whole range of alloys with compositions variable along a single clad track. This method was used as to produce composition gradient Ti-Mo alloys. Mo has been used since it is among the few elements biocompatible, non-toxic β-Ti phase stabilizers. Alloy tracks with compositions in the range 0-19 wt.%Mo were produced and characterized in detail as a function of composition using microscale testing procedures for screening of compositions with promising properties. Microstructural analysis showed that alloys with Mo content above 8% are fully formed of β phase grains. However, these β grains present a cellular substructure that is associated to a Ti and Mo segregation pattern that occurs during solidification. Ultramicroindentation tests carried out to evaluate the alloys' hardness and Young's modulus showed that Ti-13%Mo alloys presented the lowest hardness and Young's modulus (70 GPa) closer to that of bone than common Ti alloys, thus showing great potential for implant applications.

Phase separation and defect formation in stable, metastable, and unstable GaInAsSb alloys for infrared applications

NASA Astrophysics Data System (ADS)

Yildirim, Asli

GaInAsSb is a promising material for mid-infrared devices such as lasers and detectors because it is a direct band gap material with large radiative coefficient and a cut-off wavelength that can be varied across the mid-infrared (from 1.7 to 4.9 mum) while remaining lattice matched to GaSb. On the other hand, the potential of the alloy is hampered by predicted ranges of concentration where the constituents of the alloy become immiscible when the crystal is grown near thermodynamic equilibrium at typical growth temperatures. There have been efforts to extend the wavelength of GaInAsSb alloys through such techniques as digital alloy growth and non-equilibrium growth, but most of the compositional range has for a long time been inaccessible due to immiscibility challenges. Theoretical studies also supported the existence of thermodynamic immiscibility gaps for non-equilibrium growth conditions. Lower growth temperatures lead to shorther adatom diffusion length. While a shorter adatom diffusion length suppresses phase separation, too short an adatom length is associated with increased defect formation and eventually loss of crystallinity. On the other hand, hotter growth temperatures move epitaxial growth closer to thermodynamic equilib- rium conditions, and will eventually cause phase separation to occur. In this study thick 2 um; bulk GaInAsSb layers lattice-matched to GaSb substrates were grown across the entire (lattice-matched) compositional range at low growth temperatures (450° C), including the immiscibility region, when grown under non-equilibrium conditions with MBE. High quality epitaxial layers were grown for all compositions, as evidenced by smooth morphology (atomic force microscopy), high structural quality (X-ray diffraction), low alloy fluctuactions (electron dispersive spectroscopy in cross sectioned samples), and bright room temperature photoluminescence. Because initial theoretical efforts have suggessted that lattice strain can influence layer stability, we have studied effects of strain on alloy stability. Unstable and metastable alloys were grown hot enough for the onset of phase separation, then progressively strained and characterized. We show that strain is effective in suppressing phase separation. Finally, we performed time-resolved carrier lifetime measurements for InAsSb alloy with low concentrations of Ga to investigate the role of Ga in influencing nonradiative carrier recombination. There have been studies on non-Ga containing antimonide structures (InAsSb, InAs/InAsSb) that show long carrier lifetimes, which suggest that Ga plays a role in reducing carrier lifetime, because Ga-containing structures such as InAs/GaSb superlattices have much shorter carrier lifetimes. Ga may reduce carrier lifetime through native defects that increase background carrier concentration, or that create mid-gap electronic states. Here, a series of GaInAsSb alloys were grown with low to zero Ga concentration. No difference in carrier lifetime was observed between Ga and Ga-free structures, and minority carrier lifetimes > 600 ns were observed. Additional work remains to be done to obtain background carrier densities in the samples with Hall measurements.

Dynamical stability of Fe-H in the Earth's mantle and core regions.

PubMed

Isaev, Eyvaz I; Skorodumova, Natalia V; Ahuja, Rajeev; Vekilov, Yuri K; Johansson, Börje

2007-05-29

The core extends from the depth of 2,900 km to the center of the Earth and is composed mainly of an iron-rich alloy with nickel, with 10% of the mass comprised of lighter elements like hydrogen, but the exact composition is uncertain. We present a quantum mechanical first-principles study of the dynamical stability of FeH phases and their phonon densities of states at high pressure. Our free-energy calculations reveal a phonon-driven stabilization of dhcp FeH at low pressures, thus resolving the present contradiction between experimental observations and theoretical predictions. Calculations reveal a complex phase diagram for FeH under pressure with a dhcp --> hcp --> fcc sequence of structural transitions.

High-Pressure Geoscience Special Feature: Dynamical stability of Fe-H in the Earth's mantle and core regions

NASA Astrophysics Data System (ADS)

Isaev, Eyvaz I.; Skorodumova, Natalia V.; Ahuja, Rajeev; Vekilov, Yuri K.; Johansson, Börje

2007-05-01

The core extends from the depth of 2,900 km to the center of the Earth and is composed mainly of an iron-rich alloy with nickel, with 10% of the mass comprised of lighter elements like hydrogen, but the exact composition is uncertain. We present a quantum mechanical first-principles study of the dynamical stability of FeH phases and their phonon densities of states at high pressure. Our free-energy calculations reveal a phonon-driven stabilization of dhcp FeH at low pressures, thus resolving the present contradiction between experimental observations and theoretical predictions. Calculations reveal a complex phase diagram for FeH under pressure with a dhcp → hcp → fcc sequence of structural transitions.

Dynamical stability of Fe-H in the Earth's mantle and core regions

PubMed Central

Isaev, Eyvaz I.; Skorodumova, Natalia V.; Ahuja, Rajeev; Vekilov, Yuri K.; Johansson, Börje

2007-01-01

The core extends from the depth of 2,900 km to the center of the Earth and is composed mainly of an iron-rich alloy with nickel, with 10% of the mass comprised of lighter elements like hydrogen, but the exact composition is uncertain. We present a quantum mechanical first-principles study of the dynamical stability of FeH phases and their phonon densities of states at high pressure. Our free-energy calculations reveal a phonon-driven stabilization of dhcp FeH at low pressures, thus resolving the present contradiction between experimental observations and theoretical predictions. Calculations reveal a complex phase diagram for FeH under pressure with a dhcp → hcp → fcc sequence of structural transitions. PMID:17483486

New Oxide Materials for an Ultra High Temperature Environment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perepezko, John H.

In this project, a new oxide material, Hf 6Ta 2O 17 has been successfully synthesized by the controlled oxidization of Hf-Ta alloys. This oxide exhibits good oxidation resistance, high temperature phase stability up to more than 2000°C, low thermal conductivity and thus could serve as a component or a coating material in an ultrahigh temperature environment. We have examined the microstructure evolution and phase formation sequence during the oxidation exposure of Hf-Ta alloys at 1500°C and identified that the oxidation of a Hf-26.7atomic %Ta alloy leads to the formation of a single phase adherent Hf 6Ta 2O 17 with amore » complex atomic structure i.e. superstructure. The overall reactive diffusion pathway is consistent with the calculated Hf-Ta-O ternary phase diagram. Besides the synthesis of Hf 6Ta 2O 17 superstructure by oxidizing Hf-Ta alloys, we have also developed a synthesis method based upon the reactive sintering of the correct ratios of mixed powders of HfO 2 and Ta 2O 5 and verified the low thermal conductivity of Hf 6Ta 2O 17 superstructure on these samples. We have completed a preliminary analysis of the oxidation kinetics for Hf 6Ta 2O 17, which shows an initial parabolic oxidation kinetics.« less

Effects of Exposures on Superalloys for Space Applications

NASA Technical Reports Server (NTRS)

Gabb, Tim; Garg, Anita; Gayda, John

2007-01-01

The industry is demanding longer term service at high temperatures for nickel-base superalloys in gas turbine engine as well as potential space applications. However, longer term service can severely tax alloy phase stability, to the potential detriment of mechanical properties. Cast Mar-M247LC and wrought Haynes 230 superalloys were exposed and creep tested for extended times at elevated temperature. Microstructure and phase evaluations were then undertaken for comparisons.

Study on corrosion resistance of high - entropy alloy in medium acid liquid and chemical properties

NASA Astrophysics Data System (ADS)

Florea, I.; Buluc, G.; Florea, R. M.; Soare, V.; Carcea, I.

2015-11-01

High-entropy alloy is a new alloy which is different from traditional alloys. The high entropy alloys were started in Tsing Hua University of Taiwan since 1995 by Yeh et al. Consisting of a variety of elements, each element occupying a similar compared with other alloy elements to form a high entropy. We could define high entropy alloys as having approximately equal concentrations, made up of a group of 5 to 11 major elements. In general, the content of each element is not more than 35% by weight of the alloy. During the investigation it turned out that this alloy has a high hardness and is also corrosion proof and also strength and good thermal stability. In the experimental area, scientists used different tools, including traditional casting, mechanical alloying, sputtering, splat-quenching to obtain the high entropy alloys with different alloying elements and then to investigate the corresponding microstructures and mechanical, chemical, thermal, and electronic performances. The present study is aimed to investigate the corrosion resistance in a different medium acid and try to put in evidence the mechanical properties. Forasmuch of the wide composition range and the enormous number of alloy systems in high entropy alloys, the mechanical properties of high entropy alloys can vary significantly. In terms of hardness, the most critical factors are: hardness/strength of each composing phase in the alloy, distribution of the composing phases. The corrosion resistance of an high entropy alloy was made in acid liquid such as 10%HNO3-3%HF, 10%H2SO4, 5%HCl and then was investigated, respectively with weight loss experiment. Weight loss test was carried out by put the samples into the acid solution for corrosion. The solution was maintained at a constant room temperature. The liquid formulations used for tests were 3% hydrofluoric acid with 10% nitric acid, 10% sulphuric acid, 5% hydrochloric acid. Weight loss of the samples was measured by electronic scale.

Induced anisotropy in FeCo-based nanocomposites: Early transition metal content dependence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shen, S; DeGeorge, V; Ohodnicki, PR

2014-05-07

Soft magnetic nanocomposites variants of FeCo-based (HTX002) alloys (Fe65Co35)(81+x)B12Nb4-xSi2Cu1, exhibiting high inductions (up to 1.9 T), low losses, and high temperature stability are studied for high frequency inductors and current sensors. For alloys with x 0, 1, 1.5, 2, and 3, we report field induced anisotropy, K-U, after annealing at temperatures of 340-450 degrees C for 1 h in a 2 T transverse magnetic field. The anisotropy field, H-K, measured by AC permeametry on toroidal cores, and by first order reversal curves on square sections of ribbon, decreases with annealing temperature and saturates at high annealing temperatures suggesting a nanostructuremore » related anisotropy mechanism in which the amorphous phase exhibits a higher H-K than the crystalline phase. A high saturation induction nanocrystalline phase and high H-K amorphous phase were achieved by low temperature annealing resulting in a value of K-U exceeding 14 X 10(3) erg/cm(3), more than twice that reported previously for Fe-rich amorphous and nanocomposite alloys. (C) 2014 AIP Publishing LLC.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Fei; Wu, Yuan; Lou, Hongbo

Polymorphism, which describes the occurrence of different lattice structures in a crystalline material, is a critical phenomenon in materials science and condensed matter physics. Recently, configuration disorder was compositionally engineered into single lattices, leading to the discovery of high-entropy alloys and high-entropy oxides. For these novel entropy-stabilized forms of crystalline matter with extremely high structural stability, is polymorphism still possible? Here by employing in situ high-pressure synchrotron radiation X-ray diffraction, we reveal a polymorphic transition from face-centred-cubic (fcc) structure to hexagonal-close-packing (hcp) structure in the prototype CoCrFeMnNi high-entropy alloy. The transition is irreversible, and our in situ high-temperature synchrotron radiationmore » X-ray diffraction experiments at different pressures of the retained hcp high-entropy alloy reveal that the fcc phase is a stable polymorph at high temperatures, while the hcp structure is more thermodynamically favourable at lower temperatures. Lastly, as pressure is increased, the critical temperature for the hcp-to-fcc transformation also rises.« less

Nonequilibrium segregation and phase instability in alloy films during elevated-temperature irradiation in a high-voltage electron microscope

NASA Astrophysics Data System (ADS)

Lam, N. Q.; Okamoto, P. R.

1984-05-01

The effects of defect-production rate gradients, caused by the radial nonuniformity in the electron flux distribution, on solute segregation and phase stability in alloy films undergoing high-voltage electron-microscope (HVEM) irradiation at high temperatures are assessed. Two-dimensional (axially symmetric) compositional redistributions were calculated, taking into account both axial and transverse radial defect fluxes. It was found that when highly focused beams were employed radiation-induced segregation consisted of two stages: dominant axial segregation at the film surfaces at short irradiation times and competitive radial segregation at longer times. The average alloy composition within the irradiated region could differ greatly from that irradiated with a uniform beam, because of the additional atom transport from or to the region surrounding the irradiated zone under the influence of radial fluxes. Damage-rate gradient effects must be taken into account when interpreting in-situ HVEM observations of segregation-induced phase instabilities. The theoretical predictions are compared with experimental observations of the temporal and spatial dependence of segregation-induced precipitation in thin films of Ni-Al, Ni-Ge and Ni-Si solid solutions.

Method of making high strength, tough alloy steel

DOEpatents

Thomas, Gareth; Rao, Bangaru V. N.

1979-01-01

A high strength, tough alloy steel, particularly suitable for the mining industry, is formed by heating the steel to a temperature in the austenite range (1000.degree.-1100.degree. C.) to form a homogeneous austenite phase and then cooling the steel to form a microstructure of uniformly dispersed dislocated martensite separated by continuous thin boundary films of stabilized retained austenite. The steel includes 0.2-0.35 weight % carbon, at least 1% and preferably 3-4.5% chromium, and at least one other subsitutional alloying element, preferably manganese or nickel. The austenite film is stable to subsequent heat treatment as by tempering (below 300.degree. C.) and reforms to a stable film after austenite grain refinement.

Iron-Nickel alloy in the Earth's core

NASA Astrophysics Data System (ADS)

Lin, Jung-Fu; Heinz, Dion L.; Campbell, Andrew J.; Devine, James M.; Mao, Wendy L.; Shen, Guoyin

2002-05-01

The phase relations of an Fe10wt%Ni alloy were investigated in a diamond anvil cell up to 86 GPa and 2382 K. Adding nickel into iron stabilizes the fcc phase to higher pressures and lower temperatures compared to pure iron, and a region of two-phase coexistence between fcc and hcp phases is observed. Iron with up to 10 wt% nickel is likely to be in the hcp structure under inner core conditions. The axial ratio (c/a) of hcp-Fe10wt%Ni has a weak pressure dependence, but it increases substantially with increasing temperature. The extrapolated c/a ratio at ~5700 K and ~86 GPa is approximately 1.64, lower than a theoretically predicted value of nearly 1.7 for hcp-Fe at 5700 K and inner-core pressure. A lower c/a ratio should have an effect on the longitudinal anisotropy of the hcp phase, and hence, may influence the interpretation of the seismic wave anisotropy of the inner core.

Magnetic studies of melt spun NdFeAl-C alloys

NASA Astrophysics Data System (ADS)

Rodríguez Torres, C. E.; Cabrera, A. F.; Sánchez, F. H.; Billoni, O. V.; Urreta, S. E.; Fabietti, L. M.

2004-12-01

Alloys with compositions Nd 60-xC xFe 30Al 10 ( x=0, 1, 5 and 10) were processed by melt spinning at a tangential speed of 5 m/s. The as-cast ribbons were characterized by X-ray diffraction, Mössbauer Effect spectroscopy and their room temperature hysteresis loops. The substitution of Nd by C is found to affect the phase selection, from mainly DHCP-Nd for x=0 to DHCP-Nd /FCC-Nd for the other ones. Mössbauer spectra of all the as-cast samples indicate that Fe is present in crystalline magnetic phases as well as in a paramagnetic one. The major crystalline phase was identified as a μ-type (or A1) metastable phase, which is reported to have a large anisotropy field and a relatively high saturation polarization. Interstitial C stabilizes the μ-type phase and improves its average hyperfine field. The magnetic measurements display an increase of coercivity and remanence with the C concentration.

Characterization of Al-Cu-Mg-Ag Alloy RX226-T8 Plate

NASA Technical Reports Server (NTRS)

Lach, Cynthia L.; Domack, Marcia S.

2003-01-01

Aluminum-copper-magnesium-silver (Al-Cu-Mg-Ag) alloys that were developed for thermal stability also offer attractive ambient temperature strength-toughness combinations, and therefore, can be considered for a broad range of airframe structural applications. The current study evaluated Al-Cu-Mg-Ag alloy RX226-T8 in plate gages and compared performance with sheet gage alloys of similar composition. Uniaxial tensile properties, plane strain initiation fracture toughness, and plane stress tearing resistance of RX226-T8 were examined at ambient temperature as a function of orientation and thickness location in the plate. Properties were measured near the surface and at the mid-plane of the plate. Tensile strengths were essentially isotropic, with variations in yield and ultimate tensile strengths of less than 2% as a function of orientation and through-thickness location. However, ductility varied by more than 15% with orientation. Fracture toughness was generally higher at the mid-plane and greater for the L-T orientation, although the differences were small near the surface of the plate. Metallurgical analysis indicated that the microstructure was primarily recrystallized with weak texture and was uniform through the plate with the exception of a fine-grained layer near the surface of the plate. Scanning electron microscope analysis revealed Al-Cu-Mg second phase particles which varied in composition and were primarily located on grain boundaries parallel to the rolling direction. Fractography of toughness specimens for both plate locations and orientations revealed that fracture occurred predominantly by transgranular microvoid coalescence. Introduction High-strength, low-density Al-Cu-Mg-Ag alloys were initially developed to replace conventional 2000 (Al-Cu-Mg) and 7000 (Al-Zn-Cu-Mg) series aluminum alloys for aircraft structural applications [1]. During the High Speed Civil Transport (HSCT) program, improvements in thermal stability were demonstrated for candidate aircraft wing and fuselage skin materials through the addition of silver to Al-Cu-Mg alloys based on Al 2519 chemistry [2]. Thermal stability of the resulting Al-Cu-Mg-Ag alloys, C415-T8 and C416-T8, was due to co-precipitation of the thermally stable . (AlCu) and ' (Al2Cu) strengthening phases [1-4]. The strength and toughness behavior was investigated for these alloys produced as 0.090-inch thick rolled sheet in the T8 condition and after various thermal exposures. The mechanical properties were shown to be competitive with conventional aircraft alloys, 2519-T8 and 2618-T8 [2]. During the Integral Airframe Structure (IAS) program, advanced aluminum alloys were examined for use in an integrally stiffened airframe structure where the skin and stiffeners would be machined from plate and extruded frames would be mechanically attached (see Figure 1) [5]. Advantages of integrally stiffened structure include reduced part count, and reduced assembly times compared to conventional built-up airframe structure. The near-surface properties of a thick plate are of significance for a machined integrally stiffened airframe structure since this represents the skin location. Properties measured at the mid-plane of the plate are more representative of the stiffener web. RX226 was developed to exploit strength-toughness improvements and thermal stability benefits of Al-Cu-Mg-Ag alloys in plate gages. This study evaluated the microstructure and properties of three gages of plate produced in the T8 condition.

Role of Si on the Diffusional Interactions Between U-Mo and Al-Si Alloys at 823 K (550 °C)

NASA Astrophysics Data System (ADS)

Perez, Emmanuel; Sohn, Yong-Ho; Keiser, Dennis D.

2013-01-01

U-Mo dispersions in Al-alloy matrix and monolithic fuels encased in Al-alloy are under development to fulfill the requirements for research and test reactors to use low-enriched molybdenum stabilized uranium alloy fuels. Significant interaction takes place between the U-Mo fuel and Al during manufacturing and in-reactor irradiation. The interaction products are Al-rich phases with physical and thermal characteristics that adversely affect fuel performance and result in premature failure. Detailed analysis of the interdiffusion and microstructural development of this system was carried through diffusion couples consisting of U-7 wt pct Mo, U-10 wt pct Mo and U-12 wt pct Mo in contact with pure Al, Al-2 wt pct Si, and Al-5 wt pct Si, annealed at 823 K (550 °C) for 1, 5 and 20 hours. Scanning electron microscopy and transmission electron microscopy were employed for the analysis. Diffusion couples consisting of U-Mo in contact with pure Al contained UAl3, UAl4, U6Mo4Al43, and UMo2Al20 phases. Additions of Si to the Al significantly reduced the thickness of the interdiffusion zone. The interdiffusion zones developed Al- and Si-enriched regions, whose locations and size depended on the Si and Mo concentrations in the terminal alloys. In these couples, the (U,Mo)(Al,Si)3 phase was observed throughout the interdiffusion zone, and the U6Mo4Al43 and UMo2Al20 phases were observed only where the Si concentrations were low.

Microstructure, Mechanical Properties, and Electrochemical Behavior of Ti-Nb-Fe Alloys Applied as Biomaterials

NASA Astrophysics Data System (ADS)

Lopes, Éder Sócrates Najar; Salvador, Camilo Augusto Fernandes; Andrade, Denis Renato; Cremasco, Alessandra; Campo, Kaio Niitsu; Caram, Rubens

2016-06-01

New β metastable Ti alloys based on Ti-30Nb alloy with the addition of 1, 3, or 5 wt pct Fe have been developed using the bond order and the metal d-orbital energy level ( overline{{Bo}} {-} overline{{Md}} ) design theory. The samples were prepared by arc melting, hot working, and solution heat treatment above the β transus followed by water quenching (WQ) or furnace cooling (FC). The effect of the cooling rate on the microstructure of Ti-30Nb-3Fe wt pct was investigated in detail using a modified Jominy end quench test. The results show that Fe acts as a strong β-stabilizing alloying element. The addition of Fe also leads to a reduction in the ω and α phases volumetric fractions, although the ω phase was still detected in the WQ Ti-30Nb-5Fe samples, as shown by TEM, and α phase clusters were detected by SEM in the FC Ti-30Nb-3Fe samples. Among the WQ samples, the addition of 5 wt pct Fe improves the ultimate tensile strength (from 601 to 689 MPa), reduces the final elongation (from 28 to 16 pct), and impairs the electrochemical corrosion resistance, as evaluated by potentiodynamic polarization tests in Ringer's solution. The microstructural variation arising from the addition of Fe did not change the elastic modulus (approximately 80 GPa for all experimental WQ samples). This study shows that small Fe additions can tailor the microstructure of Ti-Nb alloys, modifying α and ω phase precipitation and improving mechanical strength.

Prediction of A2 to B2 Phase Transition in the High Entropy Alloy Mo-Nb-Ta-W

NASA Astrophysics Data System (ADS)

Huhn, William; Widom, Michael

2014-03-01

In this talk we show that an effective Hamiltonian fit with first principles calculations predicts an order/disorder transition occurs in the high entropy alloy Mo-Nb-Ta-W. Using the Alloy Theoretic Automated Toolset, we find T=0K enthalpies of formation for all binaries containing Mo, Nb, Ta, and W, and in particular we find the stable structures for binaries at equiatomic concentrations are close in energy to the associated B2 structure, suggesting that at intermediate temperatures a B2 phase is stabilized in Mo-Nb-Ta-W. Our ``hybrid Monte Carlo/molecular dynamics'' results for the Mo-Nb-Ta-W system are analyzed to identify certain preferred chemical bonding types. A mean field free energy model incorporating nearest neighbor bonds will be presented, allowing us to predict the mechanism of the order/disorder transition. We find the temperature evolution of the system is driven by strong Mo-Ta bonding. Comparison of the free energy model and our MC/MD results suggest the existence of additional low-temperature phase transitions in the system likely ending with phase segregation into binary phases. We would like to thank DOD-DTRA for funding this research under contract number DTRA-11-1-0064.

Bonding and Microstructural Stability in Ni55Ti45 Studied by Experimental and Theoretical Methods

NASA Technical Reports Server (NTRS)

Stott, Amanda C.; Brauer, Jonathan I.; Garg, Anita; Pepper, Stephen V.; Abel, Phillip B.; DellaCorte, Christopher; Noebe, Ronald D.; Glennon, Glenn; Bylaska, Eric; Dixon, David A.

2010-01-01

Spiral orbit tribometry friction tests performed on Ni-rich Ni55Ti45 titanium ball bearings indicate that this alloy is a promising candidate for future aerospace bearing applications. Microstructural characterization of the bearing specimens was performed using transmission electron microscopy and energy dispersive spectroscopy, with NiTi, Ni4Ti3, Ni3Ti, and Ni2Ti4Ox phases identified within the microstructure of the alloy. Density functional theory was applied to predict the electronic structure of the NixTiy phases, including the band structure and site projected density of states. Ultraviolet photoemission spectroscopy was used to verify the density of states results from the density functional theory calculations, with good agreement observed between experiment and theory.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cai, S.; Schaffer, J. E.; Ren, Y.

Room temperature deformation of a Ni{sub 46.7}Ti{sub 42.8}Nb{sub 10.5} alloy was studied by in-situ synchrotron X-ray diffraction. Compared to binary NiTi alloy, the Nb dissolved in the matrix significantly increased the onset stress for Stress-Induced Martensite Transformation (SIMT). The secondary phase, effectively a Nb-nanowire dispersion in a NiTi-Nb matrix, increased the elastic stiffness of the bulk material, reduced the strain anisotropy in austenite families by load sharing during SIMT, and increased the stress hysteresis by resisting reverse phase transformation during unloading. The stress hysteresis can be controlled over a wide range by heat treatment through its influences on the residualmore » stress of the Nb-nanowire dispersion and the stability of the austenite.« less

Development of High-Strength High-Temperature Cast Al-Ni-Cr Alloys Through Evolution of a Novel Composite Eutectic Structure

NASA Astrophysics Data System (ADS)

Pandey, P.; Kashyap, S.; Tiwary, C. S.; Chattopadhyay, K.

2017-12-01

Aiming to develop high-strength Al-based alloys with high material index (strength/density) for structural application, this article reports a new class of multiphase Al alloys in the Al-Ni-Cr system that possess impressive room temperature and elevated temperature (≥ 200 °C) mechanical properties. The ternary eutectic and near eutectic alloys display a complex microstructure containing intermetallic phases displaying hierarchically arranged plate and rod morphologies that exhibit extraordinary mechanical properties. The yield strengths achieved at room temperatures are in excess of 350 MPa with compressive plastic strains of more than 30 pct (without fracturing) for these alloys. The stability of the complex microstructure also leads to a yield stress of 191 ± 8 to 232 ± 5 MPa at 250 °C. It is argued that the alloys derive their high strength and impressive plasticity through synergic effects of refined nanoeutectics of two different morphologies forming a core shell type of architecture.

Density functional theory study of phase stability and defect thermodynamics in iron-oxyhydroxide mineral materials

NASA Astrophysics Data System (ADS)

Pinney, Nathan Douglas

Due to their high surface area and reactivity toward a variety of heavy metal and oxyanion species of environmental concern, Fe-(oxyhydr)oxide materials play an important role in the geochemical fate of natural and anthropogenic contaminants in soils, aquifers and surface water environments worldwide. In this research, ab initio simulations describe the bulk structure, magnetic properties, and relative phase stability of major Fe-(oxyhydr)oxide materials, including hematite, goethite, lepidocrocite, and ferrihydrite.These bulk models are employed in further studies of point defect and alloy/dopant thermodynamics in these materials, allowing construction of a phase stability model that better replicates the structure and composition of real materials. Li + adsorption at the predominant goethite (101) surface is simulated using ab initio methods, offering energetic and structural insight into the binding mechanisms of metal cations over a range of surface protonation conditions.

Atomic interaction of the MEAM type for the study of intermetallics in the Al-U alloy

NASA Astrophysics Data System (ADS)

Pascuet, M. I.; Fernández, J. R.

2015-12-01

Interaction for both pure Al and Al-U alloys of the MEAM type are developed. The obtained Al interatomic potential assures its compatibility with the details of the framework presently adopted. The Al-U interaction fits various properties of the Al2U, Al3U and Al4U intermetallics. The potential verifies the stability of the intermetallic structures in a temperature range compatible with that observed in the phase diagram, and also takes into account the greater stability of these structures relative to others that are competitive in energy. The intermetallics are characterized by calculating elastic and thermal properties and point defect parameters. Molecular dynamics simulations show a growth of the Al3U intermetallic in the Al/U interface in agreement with experimental evidence.

Effect of structural phase transformation in FeGaO{sub 3} on its magnetic and ferroelectric properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lone, A. G., E-mail: agl221986@gmail.com; Bhowmik, R. N.

2015-06-24

We investigate the structural phase transformation from orthorhombic to rhombohedral structure in FeGaO{sub 3} by adopting a combined effect of mechanical alloying/milling and solid state sintering techniques. The structural phase formation of the FeGaO{sub 3} compound has been characterized by X-ray diffraction pattern. Mechanical milling played a significant role on the stabilization of rhombohedral phase in FeGaO{sub 3}, where as high temperature sintering stabilized the system in orthorhombic phase. A considerable difference has been observed in magnetic and ferroelectric properties of the system in two phases. The system in rhombohedral (R-3c) phase exhibited better ferromagnetic and of ferroelectric properties atmore » room temperature in comparison to orthorhombic (Pc2{sub 1}n) phase. The rhombohedral phase appears to be good for developing metal doped hematite system for spintronics applications and in that process mechanical milling played an important role.« less

Final Report for Department of Energy Grant No. DE-FG02-02ER45997, "Alloy Design of Nanoscale Precipitation Strengthened Alloys: Design of a Heat Treatable Aluminum Alloy Useful to 400C"

DOE Office of Scientific and Technical Information (OSTI.GOV)

Morris E. Fine; Gautam Ghosh; Dieter Isheim

A creep resistant high temperature Al base alloy made by conventional processing procedures is the subject of this research. The Ni-based superalloys have volume fractions of cubic L1{sub 2} phase precipitates near 50%. This is not attainable with Al base alloys and the approach pursued in this research was to add L1{sub 2} structured precipitates to the Al-Ni eutectic alloy, 2.7 at. % Ni-97.3 at. % Al. The eutectic reaction gives platelets of Al{sub 3}Ni (DO{sub 11} structure) in an almost pure Al matrix. The Al{sub 3}Ni platelets give reinforcement strengthening while the L1{sub 2} precipitates strengthen the Al alloymore » matrix. Based on prior research and the extensive research reported here modified cubic L1{sub 2} Al{sub 3}Zr is a candidate. While cubic Al{sub 3}Zr is metastable, the stable phase is tetragonal, only cubic precipitates were observed after 1600 hrs at 425 C and they hardly coarsened at all with time at this temperature. Also addition of Ti retards the cubic to tetragonal transformation; however, a thermodynamically stable precipitate is desired. A very thorough ab initio computational investigation was done on the stability of L1{sub 2} phases of composition, (Al,X){sub 3}(Zr,Ti) and the possible occurrence of tie lines between a stable L1{sub 2} phase and the Al alloy terminal solid solution. Precipitation of cubic (Al{sub (1-x)}Zn{sub x}){sub 3}Zr in Al was predicted by these computations and subsequently observed by experiment (TEM). To test the combined reinforcement-precipitation concept to obtain a creep resistant Al alloy, Zr and Ti were added to the Al-Ni eutectic alloy. Cubic L1{sub 2} precipitates did form. The first and only Al-Ni-Zr-Ti alloy tested for creep gave a steady state creep rate at 375 C of 8 x 10{sup -9} under 20MPa stress. The goal is to optimize this alloy and add Zn to achieve a thermodynamically stable precipitate.« less

Enabling Large Superalloy Parts Using Compact Coprecipitation of γ' and γ''

NASA Astrophysics Data System (ADS)

Detor, Andrew J.; DiDomizio, Richard; Sharghi-Moshtaghin, Reza; Zhou, Ning; Shi, Rongpei; Wang, Yunzhi; McAllister, Donald P.; Mills, Michael J.

2018-03-01

Next-generation gas turbines will require disk materials capable of operating at 923 K (650 °C) and above to achieve efficiencies well beyond today's 62 pct benchmark. This temperature requirement marks a critical turning point in materials selection. Current turbine disk alloys, such as 706 and 718, are limited by the stability of their major strengthening phase, γ'', which coarsens rapidly beyond 923 K (650 °C) resulting in significant degradation in properties. More capable γ' strengthened superalloys, such as those used in jet engine disks, are also limited due to the sheer size of gas turbine hardware; the γ' phase overages during the slow cooling rates inherent in processing thick-section parts. In the present work, we address this fundamental gap in available superalloy materials. Through careful control of Al, Ti, and Nb levels, we show that fine (<100 nm) γ' and compact γ'/γ'' coprecipitate structures can be formed even under extremely slow cooling rates from high temperature. The presence of Ti is shown to have a dominant effect on phase formation, dictating whether γ', γ'/γ'' coprecipitates, or other less desirable acicular phases form on cooling. Sensitivity to cooling rate and aging heat treatment is also explored. A custom phase field model along with commercial precipitation kinetics software is used to better understand the phase evolution and stability of compact coprecipitates. The alloying strategies discussed here enable a new class of superalloys suitable for applications requiring large parts operating at high temperature.

Iron-nickel alloys as canister material for radioactive waste disposal in underground repositories

NASA Astrophysics Data System (ADS)

Apps, J. A.

1982-09-01

Canisters containing high-level radioactive waste must retain their integrity in an underground waste repository for at least one thousand years after burial (Nuclear Regulatory Commission, 1981). Since no direct means of verifying canister integrity is plausible over such a long period, indirect methods must be chosen. A persuasive approach is to examine the natural environment and find a suitable material which is thermodynamically compatible with the host rock under the environmental conditions with the host rock under the environmental conditions expected in a waste repository. Several candidates have been proposed, among them being iron-nickel alloys that are known to occur naturally in altered ultramafic rocks. The following review of stability relations among iron-nickel alloys below 3500 C is the initial phase of a more detailed evaluation of these alloys as suitable canister materials.

Phase Transformation and Creep of Mg-Al-Ca Based Die-Cast Alloys

NASA Astrophysics Data System (ADS)

Suzuki, Akane; Saddock, Nicholas D.; Jones, J. Wayne; Pollock, Tresa M.

The microstructure and microstructural stability of die-cast AC53 (Mg-5Al-3Ca) and AXJ530 (Mg-5Al-3Ca-0.15Sr) have been investigated in detail by transmission electron microscopy (TEM). Both alloys have an as-cast microstructure of α-Mg with (Mg, Al)2Ca (dihexagonal C36) eutectic at grain boundaries. During aging at 573 K, the C36 phase transforms to Al2Ca (cubic Cl5) phase. These two phases have a crystallographic orientation relationship of (0001)C36//{111}C15 and [2110]C36//[011]C15, and the transformation from C36 to C15 occurs by a shear-assisted process. Despite this change in the phase constitution, the network structure of the intermetallic compound(s) surrounding α-Mg grains is fairly stable, morphologically, even after prolonged exposure at elevated temperature. In the α-Mg matrix phase, precipitation of Al2Ca was observed after aging for 360 ks at 573 K. The precipitates are disc-shaped with a habit plane of {111}C15//(0001)α. AXJ530 shows higher creep resistance than AC53. The dislocation substructure that evolved during creep deformation was investigated in both alloys, and the basal and non-basal slip of a-dislocation and other slip modes of a+c- dislocations were observed. The relationship between creep properties and microstructure is discussed.

Predicting the solid state phase diagram for glass-forming alloys of copper and zirconium

NASA Astrophysics Data System (ADS)

Tang, C.; Harrowell, Peter

2012-06-01

The free energies of six crystal structures associated with Cu-Zr alloys—Cu (face centred cubic), Cu2Zr, Cu10Zr7, CuZr, CuZr2 and Zr (hexagonal close packed)—are calculated using the embedded atom potential of Mendelev et al (2009 Phil. Mag. 89 967). We find that the observed low temperature stability of the Cu10Zr7 and CuZr2 phases is not reproduced. Instead, the model predicts that the CuZr phase remains stable down to T = 0 K. This discrepancy is largely removed when the interaction potentials are cut off at a short distance, such as that used by Duan et al (2005 Phys. Rev. B 71 224208). We present evidence, however, that the cut-off distance necessary to achieve the change in phase stability results in pathological artefacts in the energetics of some crystal phases.

Effect of Nb doping on the microstructure and magnetic properties of Nd-Ce-Fe-B alloy

NASA Astrophysics Data System (ADS)

Quan, Qichen; Zhang, Lili; Jiang, Qingzheng; Lei, Weikai; Zeng, Qingwen; Hu, Xianjun; Wang, Lei; Yu, Xi; Du, Junfeng; Fu, Gang; Liu, Renhui; Zhong, Minglong; Zhong, Zhenchen

2017-11-01

With the intention to reduce the Nd content in Nd2Fe14B-type alloys, 20 at.% Ce and 0.5 at.% Nb substituting Nd and Fe in the Nd13Fe82B5 alloys were previously employed to improve successfully the coercivity and the thermal stability without the energy product reduction. In this study, a light increase of the remnant polarization Jr was observed in (Nd0.8Ce0.2)13Fe82-xNbxB5 alloy at x = 0.5 and x = 1.0, resulting from the increasing amount of α-Fe phase. The optimum magnetic properties obtained with 0.5 at.% Nb doping are Hcj = 13.1 kOe, Jr = 0.79 T, (BH)max = 13.3 MGOe, respectively. Besides, the coercivity Hcj and maximum energy product (BH)max for the melt-spun ribbons with 0.5 at.% Nb addition are higher than those of the Nb-free ribbons in the temperature range of 300-450 K. Both the variations of Curie temperature Tc and a increase of lattice constants a and c of the hard magnetic phase with Nb addition imply that some of Nb atoms may directly enter into the hard magnetic phase, occupying the Fe sites. With the analysis on the demagnetization curve, Henkel curve and the observation of transmission electron microscope (TEM), the results indicate that a small amount of Nb can enhance the coercivity and exchange coupling though improving the microstructure of alloys.

Ion-beam-induced magnetic and structural phase transformation of Ni-stabilized face-centered-cubic Fe films on Cu(100)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gloss, Jonas; Institute of Physical Engineering, Faculty of Mechanical Engineering, Brno University of Technology, Technická 2, 616 69 Brno; Shah Zaman, Sameena

2013-12-23

Metastable face-centered cubic (fcc) Fe/Cu(100) thin films are good candidates for ion-beam magnetic patterning due to their magnetic transformation upon ion-beam irradiation. However, pure fcc Fe films undergo spontaneous transformation when their thickness exceeds 10 ML. This limit can be extended to approximately 22 ML by deposition of Fe at increased CO background pressures. We show that much thicker films can be grown by alloying with Ni for stabilizing the fcc γ phase. The amount of Ni necessary to stabilize nonmagnetic, transformable fcc Fe films in dependence on the residual background pressure during the deposition is determined and a phasemore » diagram revealing the transformable region is presented.« less

Phase stability in nanoscale material systems: extension from bulk phase diagrams

NASA Astrophysics Data System (ADS)

Bajaj, Saurabh; Haverty, Michael G.; Arróyave, Raymundo; Goddard Frsc, William A., III; Shankar, Sadasivan

2015-05-01

Phase diagrams of multi-component systems are critical for the development and engineering of material alloys for all technological applications. At nano dimensions, surfaces (and interfaces) play a significant role in changing equilibrium thermodynamics and phase stability. In this work, it is shown that these surfaces at small dimensions affect the relative equilibrium thermodynamics of the different phases. The CALPHAD approach for material surfaces (also termed ``nano-CALPHAD'') is employed to investigate these changes in three binary systems by calculating their phase diagrams at nano dimensions and comparing them with their bulk counterparts. The surface energy contribution, which is the dominant factor in causing these changes, is evaluated using the spherical particle approximation. It is first validated with the Au-Si system for which experimental data on phase stability of spherical nano-sized particles is available, and then extended to calculate phase diagrams of similarly sized particles of Ge-Si and Al-Cu. Additionally, the surface energies of the associated compounds are calculated using DFT, and integrated into the thermodynamic model of the respective binary systems. In this work we found changes in miscibilities, reaction compositions of about 5 at%, and solubility temperatures ranging from 100-200 K for particles of sizes 5 nm, indicating the importance of phase equilibrium analysis at nano dimensions.Phase diagrams of multi-component systems are critical for the development and engineering of material alloys for all technological applications. At nano dimensions, surfaces (and interfaces) play a significant role in changing equilibrium thermodynamics and phase stability. In this work, it is shown that these surfaces at small dimensions affect the relative equilibrium thermodynamics of the different phases. The CALPHAD approach for material surfaces (also termed ``nano-CALPHAD'') is employed to investigate these changes in three binary systems by calculating their phase diagrams at nano dimensions and comparing them with their bulk counterparts. The surface energy contribution, which is the dominant factor in causing these changes, is evaluated using the spherical particle approximation. It is first validated with the Au-Si system for which experimental data on phase stability of spherical nano-sized particles is available, and then extended to calculate phase diagrams of similarly sized particles of Ge-Si and Al-Cu. Additionally, the surface energies of the associated compounds are calculated using DFT, and integrated into the thermodynamic model of the respective binary systems. In this work we found changes in miscibilities, reaction compositions of about 5 at%, and solubility temperatures ranging from 100-200 K for particles of sizes 5 nm, indicating the importance of phase equilibrium analysis at nano dimensions. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr01535a

Formation and magnetic properties of the L10 phase in bulk, powder and hot compacted Mn-Ga alloys

NASA Astrophysics Data System (ADS)

Mix, T.; Müller, K.-H.; Schultz, L.; Woodcock, T. G.

2015-10-01

The formation and stability of the L10 phase in Mn-Ga binary alloys with compositions in the range 50-75 at% Mn (in steps of 5 at%) has been studied. Of these, single-phase L10 structure was successfully produced in the 55, 60 and 65 at% Mn alloys by annealing the high temperature phases, which had been retained to room temperature following arc melting. Further annealing and thermal analysis were used to determine the phase transformation temperatures in the alloys and the results were used to guide further processing. The saturation magnetisation, Ms, and the anisotropy field, Ha, were determined in applied fields up to 14 T. For Mn55Ga45, μ0Ms=0.807 T and μ0Ha=4.4 T were observed. Mechanically milled Mn55Ga45 powder had coercivity of μ0Hc=0.393 T, which was a twentyfold increase compared to the bulk material but the magnetisation was reduced (cf. powder: μ0M5 T=0.576 T, bulk: μ0M5 T=0.780 T). Annealing the powder at 400 °C led to recovery of the magnetisation but reduced the coercivity, which was still 10 times as high as the bulk value. A degree of texture of 0.45 was achieved by magnetic alignment of the powder particles, leading to a remanence of 0.526 T. Furthermore, isotropic hot compacts of powders were produced with packing density from 83% to 99%, in which the improved coercivity of the powders was partially retained.

Cu--Pd--M hydrogen separation membranes

DOEpatents

Do{hacek over }an, Omer N; Gao, Michael C; Young, Rongxiang Hu; Tafen, De Nyago

2013-12-17

The disclosure provides an H2 separation membrane comprised of an allow having the composition Cu.Sub.(100-x-y)Pd.sub.xM.sub.y, where x is from about 35 to about 50 atomic percent and where y is from greater than 0 to about 20 atomic percent, and where M consists of magnesium, yttrium, aluminum, titanium, lanthanum, or combinations thereof. The M elements act as strong stabilizers for the B2 phase of the allow, and extend the critical temperature of the alloy for a given hydrogen concentration and pressure. Due to the phase stabilization and the greater temperature range over which a B2 phase can be maintained, the allow is well suited for service as a H2 separation membrane, particularly when applicable conditions are established or cycled above about 600.degree. C. over the course of expected operations. In certain embodiments, the B2 phase comprises at least 60 estimated volume percent of the allow at a steady-state temperature of 400.degree. C. The B2 phase stability is experimentally validated through HT-XRD.

Microstructural Evolution and Creep-Rupture Behavior of A-USC Alloy Fusion Welds

NASA Astrophysics Data System (ADS)

Bechetti, Daniel H.; DuPont, John N.; Siefert, John A.; Shingledecker, John P.

2016-09-01

Characterization of the microstructural evolution of fusion welds in alloys slated for use in advanced ultrasupercritical (A-USC) boilers during creep has been performed. Creep-rupture specimens involving INCONEL® 740, NIMONIC® 263 (INCONEL and NIMONIC are registered trademarks of Special Metals Corporation), and Haynes® 282® (Haynes and 282 are registered trademarks of Haynes International) have been analyzed via light optical microscopy, scanning electron microscopy, X-ray diffraction, and thermodynamic and kinetic modeling. Focus has been given to the microstructures that develop along the grain boundaries in these alloys during creep at temperatures relevant to the A-USC process cycle, and particular attention has been paid to any evidence of the formation of local γ'-denuded or γ'-free zones. This work has been performed in an effort to understand the microstructural changes that lead to a weld strength reduction factor (WSRF) in these alloys as compared to solution annealed and aged alloy 740 base metal. γ' precipitate-free zones have been identified in alloy 740 base metal, solution annealed alloy 740 weld metal, and alloy 263 weld metal after creep. Their development during long-term thermal exposure is correlated with the stabilization of phases that are rich in γ'-forming elements ( e.g., η and G) and is suppressed by precipitation of phases that do not contain the γ' formers ( e.g., M23C6 and μ). The location of failure and creep performance in terms of rupture life and WSRF for each welded joint is presented and discussed.

Localized surface plasmon behavior of Ag-Cu alloy nanoparticles stabilized by rice-starch and gelatin

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, Manish Kumar; Mandal, R. K., E-mail: rkmandal.met@itbhu.ac.in; Manda, Premkumar

The purpose of this communication was to understand localized surface plasmon behavior of a series of Ag-Cu alloy nanoparticles capped by rice-starch and gelatin. The structures of dried powders were investigated with the help of X-ray diffraction. The analysis revealed Ag-rich and Cu-rich phases with maximum solid solubility of Cu ∼9 atom per cent; 8 atom per cent and Ag ∼ 16 atom per cent; 14 atom per cent in rice-starch and gelatin capped samples respectively. Transmission electron microscope was used for knowing the particle size as well as to supplement FCC phase formations of Ag-rich and Cu-rich solid phasesmore » arrived at based on X-ray diffraction studies. The UV-Vis spectra of sols were examined for the formation and stability of alloy nanoparticles. The temporal evolution of LSPR curves gave us to assert that the sol is stable for more than two months. Small angle X-ray scattering in the sol state was extensively utilized to understand nature of suspensions in terms of fractals. Such a study is important for having a correlation between LSPR behaviors with those of nanoparticle dispersion in aqueous media. It is believed that this work will be a contribution to the emerging field of plasmonics that include applications in the area of photophysical processes and photochemical reactions.« less

A canonical stability-elasticity relationship verified for one million face-centred-cubic structures.

PubMed

Maisel, Sascha B; Höfler, Michaela; Müller, Stefan

2012-11-29

Any thermodynamically stable or metastable phase corresponds to a local minimum of a potentially very complicated energy landscape. But however complex the crystal might be, this energy landscape is of parabolic shape near its minima. Roughly speaking, the depth of this energy well with respect to some reference level determines the thermodynamic stability of the system, and the steepness of the parabola near its minimum determines the system's elastic properties. Although changing alloying elements and their concentrations in a given material to enhance certain properties dates back to the Bronze Age, the systematic search for desirable properties in metastable atomic configurations at a fixed stoichiometry is a very recent tool in materials design. Here we demonstrate, using first-principles studies of four binary alloy systems, that the elastic properties of face-centred-cubic intermetallic compounds obey certain rules. We reach two conclusions based on calculations on a huge subset of the face-centred-cubic configuration space. First, the stiffness and the heat of formation are negatively correlated with a nearly constant Spearman correlation for all concentrations. Second, the averaged stiffness of metastable configurations at a fixed concentration decays linearly with their distance to the ground-state line (the phase diagram of an alloy at zero Kelvin). We hope that our methods will help to simplify the quest for new materials with optimal properties from the vast configuration space available.

Nanocrystalline CuNi alloys: improvement of mechanical properties and thermal stability

NASA Astrophysics Data System (ADS)

Nogues, Josep; Varea, A.; Pellicer, E.; Sivaraman, K. M.; Pane, S.; Nelson, B. J.; Surinach, S.; Baro, M. D.; Sort, J.

2014-03-01

Nanocrystalline metallic films are known to benefit from novel and enhanced physical and chemical properties. In spite of these outstanding properties, nanocrystalline metals typically show relatively poor thermal stability which leads to deterioration of the properties due to grain coarsening. We have studied nanocrystalline Cu1-xNix (0.56 < x < 1) thin films (3 μm-thick) electrodeposited galvanostatically onto Cu/Ti/Si (100) substrates. CuNi thin films exhibit large values of hardness (6.15 < H < 7.21 GPa), which can be tailored by varying the composition. However, pure Ni films (x = 1) suffer deterioration of their mechanical and magnetic properties after annealing during 3 h at relatively low temperatures (TANN > 475 K) due to significant grain growth. Interestingly, alloying Ni with Cu clearly improves the thermal stability of the material because grain coarsening is delayed due to segregation of a Cu-rich phase at grain boundaries, thus preserving both the mechanical and magnetic properties up to higher TANN.

The W alloying effect on thermal stability and hardening of nanostructured Cu-W alloyed thin films.

PubMed

Zhao, J T; Zhang, J Y; Hou, Z Q; Wu, K; Feng, X B; Liu, G; Sun, J

2018-05-11

In order to achieve desired mechanical properties of alloys by manipulating grain boundaries (GBs) via solute decoration, it is of great significance to understand the underlying mechanisms of microstructural evolution and plastic deformation. In this work, nanocrystalline (NC) Cu-W alloyed films with W concentrations spanning from 0 to 40 at% were prepared by using magnetron sputtering. Thermal stability (within the temperature range of 200 °C-600 °C) and hardness of the films were investigated by using the x-ray diffraction, transmission electron microscope (TEM) and nanoindentation, respectively. The NC pure Cu film exhibited substantial grain growth upon all annealing temperatures. The Cu-W alloyed films, however, displayed distinct microstructural evolution that depended not only on the W concentration but also on the annealing temperature. At a low temperature of 200 °C, all the Cu-W alloyed films were highly stable, with unconspicuous change in grain sizes. At high temperatures of 400 °C and 600 °C, the microstructural evolution was greatly controlled by the W concentrations. The Cu-W films with low W concentration manifested abnormal grain growth (AGG), while the ones with high W concentrations showed phase separation. TEM observations unveiled that the AGG in the Cu-W alloyed thin films was rationalized by GB migration. Nanoindentation results showed that, although the hardness of both the as-deposited and annealed Cu-W alloyed thin films monotonically increased with W concentrations, a transition from annealing hardening to annealing softening was interestingly observed at the critical W addition of ∼25 at%. It was further revealed that an enhanced GB segregation associated with detwinning was responsible for the annealing hardening, while a reduced solid solution hardening for the annealing softening.

The W alloying effect on thermal stability and hardening of nanostructured Cu–W alloyed thin films

NASA Astrophysics Data System (ADS)

Zhao, J. T.; Zhang, J. Y.; Hou, Z. Q.; Wu, K.; Feng, X. B.; Liu, G.; Sun, J.

2018-05-01

In order to achieve desired mechanical properties of alloys by manipulating grain boundaries (GBs) via solute decoration, it is of great significance to understand the underlying mechanisms of microstructural evolution and plastic deformation. In this work, nanocrystalline (NC) Cu–W alloyed films with W concentrations spanning from 0 to 40 at% were prepared by using magnetron sputtering. Thermal stability (within the temperature range of 200 °C–600 °C) and hardness of the films were investigated by using the x-ray diffraction, transmission electron microscope (TEM) and nanoindentation, respectively. The NC pure Cu film exhibited substantial grain growth upon all annealing temperatures. The Cu–W alloyed films, however, displayed distinct microstructural evolution that depended not only on the W concentration but also on the annealing temperature. At a low temperature of 200 °C, all the Cu–W alloyed films were highly stable, with unconspicuous change in grain sizes. At high temperatures of 400 °C and 600 °C, the microstructural evolution was greatly controlled by the W concentrations. The Cu–W films with low W concentration manifested abnormal grain growth (AGG), while the ones with high W concentrations showed phase separation. TEM observations unveiled that the AGG in the Cu–W alloyed thin films was rationalized by GB migration. Nanoindentation results showed that, although the hardness of both the as-deposited and annealed Cu–W alloyed thin films monotonically increased with W concentrations, a transition from annealing hardening to annealing softening was interestingly observed at the critical W addition of ∼25 at%. It was further revealed that an enhanced GB segregation associated with detwinning was responsible for the annealing hardening, while a reduced solid solution hardening for the annealing softening.

Phase-Transformation Ductilization of Brittle High-Entropy Alloys via Metastability Engineering

DOE PAGES

Huang, Hailong; Wu, Yuan; He, Junyang; ...

2017-06-07

High-entropy alloys (HEAs) in which interesting physical, chemical, and structural properties are being continuously revealed have recently attracted extensive attention. Body-centered cubic (bcc) HEAs, particularly those based on refractory elements are promising for high-temperature application but generally fail by early cracking with limited plasticity at room temperature, which limits their malleability and widespread uses. In this paper, the “metastability-engineering” strategy is exploited in brittle bcc HEAs via tailoring the stability of the constituent phases, and transformation-induced ductility and work-hardening capability are successfully achieved. Finally, this not only sheds new insights on the development of HEAs with excellent combination of strengthmore » and ductility, but also has great implications on overcoming the long-standing strength–ductility tradeoff of metallic materials in general.« less

Phase-Transformation Ductilization of Brittle High-Entropy Alloys via Metastability Engineering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Hailong; Wu, Yuan; He, Junyang

High-entropy alloys (HEAs) in which interesting physical, chemical, and structural properties are being continuously revealed have recently attracted extensive attention. Body-centered cubic (bcc) HEAs, particularly those based on refractory elements are promising for high-temperature application but generally fail by early cracking with limited plasticity at room temperature, which limits their malleability and widespread uses. In this paper, the “metastability-engineering” strategy is exploited in brittle bcc HEAs via tailoring the stability of the constituent phases, and transformation-induced ductility and work-hardening capability are successfully achieved. Finally, this not only sheds new insights on the development of HEAs with excellent combination of strengthmore » and ductility, but also has great implications on overcoming the long-standing strength–ductility tradeoff of metallic materials in general.« less

Ab initio prediction of half-metallic properties for the ferromagnetic Heusler alloys Co2MSi (M=Ti,V,Cr)

NASA Astrophysics Data System (ADS)

Chen, Xing-Qiu; Podloucky, R.; Rogl, P.

2006-12-01

By means of density functional calculations, the magnetic and electronic properties and phase stabilities of the Heusler compounds Co2MSi (with M =Ti,V,Cr,Mn,Fe,Co,Ni) were investigated. Based on the calculated results, we predict the ferromagnetic phases of the compounds Co2TiSi, Co2VSi, and Co2CrSi to be half metals. Of particular interest is Co2CrSi because of its high density of majority-spin states at Fermi energy in combination with a reasonably high estimated Curie temperature of 747K. The compounds Co2TiSi and Co2VSi are thermodynamically stable, whereas Co2CrSi is of a metastable phase which might be stabilized by suitable experimental techniques.

Development of an extra-high strength powder metallurgy nickel-base superalloy

NASA Technical Reports Server (NTRS)

Kent, W. B.

1977-01-01

A program was conducted to optimize the composition of NASA IIb-11, an alloy originally developed as a wrought material, for thermal stability and to determine the feasibility for producing the alloy using powder metallurgy techniques. Seven compositions were melted and atomized, hot isostatically pressed, cross rolled to disks and heat treated. Tensile and stress rupture properties from room temperature to 870 C (1600 F) were determined in addition to thermal stability characteristics. Processing variables included hot isostatic pressing parameters and handling, cross rolling procedures and heat treatment cycles. NASA IIb-11E displayed the best combination of overall properties for service as a 760 C (1400 F) disk material. Its composition is 0.06 C, 8.5 Cr, 9.0 Co, 2.0 Mo, 7.1 W, 6.6 Ta, 4.5 Al, 0.75 Ti, 0.5 V, 0.7 Hf, 0.01 B, 0.05 Zr and balance Ni. While the alloy exhibits the highest 760 C (1400 F) rupture strength reported for any powder metallurgy disk alloy to date, additional studies to further evaluate the effects of heat treatment may be required. The alloy is not susceptible to topologically close-packed phase formation during thermal exposure at 870 C (1600 F) for 1,500 hours, but its mechanical property levels are lowered due to grain boundary carbide formation.

Anomalous temperature dependence of yield stress and work hardening coefficient of B2-stabilized NiTi alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hosoda, Hideki; Mishima, Yoshinao; Suzuki, Tomoo

Yield stress and work hardening coefficient of B2-stabilized NiTi alloys are investigated using compression tests. Compositions of NiTi alloys are based on Ni-49mol.%Ti, to which Cr, Co and Al are chosen as ternary elements which reduce martensitic transformation temperatures of the B2 phase. Mechanical tests are carried out in liquid nitrogen at 77 K, air at room temperature (R.T.) and in an argon atmosphere between 473 K and 873 K. Only at 77 K, some alloys show characteristic stress-strain curves which indicate stress induced martensitic transformation (SIMT), but the others do not. Work hardening coefficient is found to be betweenmore » 2 and 11GPa in all the test temperature range. The values are extremely high compared with Young`s modulus of B2 NiTi. Yield stress and work hardening coefficient increase with test temperature between R.T. and about 650 K in most alloys. The anomalous temperature dependence of mechanical properties is not related to SIMT but to precipitation hardening and/or anomalous dislocation motion similar to B2-type CoTi. Solution hardening by adding ternary elements is evaluated to be small for Cr and Co additions, and large for Al addition, depending on difference in atomic size of the ternary element with respect to Ni or Ti.« less

Theoretical investigation of the structural stabilities, optoelectronic properties and thermodynamic characteristics of GaPxSb1-x ternary alloys

NASA Astrophysics Data System (ADS)

Oumelaz, F.; Nemiri, O.; Boumaza, A.; Ghemid, S.; Meradji, H.; Bin Omran, S.; El Haj Hassan, F.; Rai, D. P.; Khenata, R.

2018-06-01

In this theoretical study, we have investigated the structural, phase transition, electronic, thermodynamic and optical properties of GaPxSb1-x ternary alloys. Our calculations are performed with the WIEN2k code based on density functional theory using the full-potential linearized augmented plane wave method. For the electron exchange-correlation potential, a generalized gradient approximation within Wu-Cohen scheme is considered. The recently developed Tran-Blaha modified Becke-Johnson potential has also been used to improve the underestimated band gap. The structural properties, including the lattice constants, the bulk moduli and their pressure derivatives are in very good agreement with the available experimental data and theoretical results. Several structural phase transitions were studied here to establish the stable structure and to predict the phase transition under hydrostatic pressure. The computed transition pressure (Pt) of the material of our interest from the zinc blende (B3) to the rock salt (B1) phase has been determined and found to agree well with the experimental and theoretical data. The calculated band structure shows that GaSb binary compound and the ternary alloys are direct band gap semiconductors. Optical parameters such as the dielectric constants and the refractive indices are calculated and analyzed. The thermodynamic results are also interpreted and analyzed.

Identification, size classification and evolution of Laves phase precipitates in high chromium, fully ferritic steels.

PubMed

Lopez Barrilao, Jennifer; Kuhn, Bernd; Wessel, Egbert

2017-10-01

To fulfil the new challenges of the German "Energiewende" more efficient, sustainable, flexible and cost-effective energy technologies are strongly needed. For a reduction of consumed primary resources higher efficiency steam cycles with increased operating parameters, pressure and temperature, are mandatory. Therefore advanced materials are needed. The present study focuses on a new concept of high chromium, fully ferritic steels. These steels, originally designed for solid oxide fuel cell applications, provide favourable steam oxidation resistance, creep and thermomechanical fatigue behaviour in comparison to conventional ferritic-martensitic steels. The strength of this type of steel is achieved by a combination of solid-solution hardening and precipitation strengthening by intermetallic Laves phase particles. The effect of alloy composition on particle composition was measured by energy dispersive X-ray spectroscopy and partly verified by thermodynamic modelling results. Generally the Laves phase particles demonstrated high thermodynamic stability during long-term annealing up to 40,000h at 600°C. Variations in chemical alloy composition influence Laves phase particle formation and consequently lead to significant changes in creep behaviour. For this reason particle size distribution evolution was analysed in detail and associated with the creep performance of several trial alloys. Copyright © 2017 Elsevier Ltd. All rights reserved.

Segregation of impurities at γ' (L12) / γ (fcc) interfaces in a Ni-based superalloy

NASA Astrophysics Data System (ADS)

Tafen, De Nyago; Gao, Michael

2011-03-01

One of the most technologically advanced energy conversion devices is the gas turbine used in aerospace jet engines and gas- fired land-based turbines for electricity generation, fabricated from Ni-based superalloys. However, these materials lack of long- term mechanical and microstructure stability, which is largely due to an excessive coarsening of γ ' that can cause substantial loss of creep resistance and mechanical instability at high temperatures. Theoretical prediction of the creep rate of these important compounds is very imperative, but yet is extremely challenging. Interfacial energy is one of the most important factors that control the coarsening kinetics of these important phases. It indirectly determines the creep resistance of the alloy through the coarsening rate of the strengthening precipitate phase. In this talk, we will present the results of various γ ' / γ interfaces of a Ni-based superalloy obtained using DFT calculations. Then, we will discuss the segregation of impurities at these interfaces. Minor alloying elements in superalloys can alter the interfacial energy between γ and γ ' , and change the strength behavior of the alloy. Alloying elements or impurity species can segregate to interfaces. A favorable segregation would result in enhancing the interfacial cohesion and thus lower the energy.

Tuning Nb–Pt Interactions To Facilitate Fuel Cell Electrocatalysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghoshal, Shraboni; Jia, Qingying; Bates, Michael K.

High stability, availability of multiple oxidation states, and accessibility within a wide electrochemical window are the prime features of Nb that make it a favorable candidate for electrocatalysis, especially when it is combined with Pt. However, Nb has been used as a support in the form of oxides in all previously reported Pt–Nb electrocatalysts, and no Pt–Nb alloying phase has been demonstrated hitherto. Herein, we report a multifunctional Pt–Nb composite (PtNb/NbOx-C) where Nb exists both as an alloying component with Pt and as an oxide support and is synthesized by means of a simple wet chemical method. In this work,more » the Pt–Nb alloy phase has been firmly verified with the help of multiple spectroscopic methods. This allows for the experimental evidence of the theoretical prediction that Pt–Nb alloy interactions improve the oxygen reduction reaction (ORR) activity of Pt. In addition, such a combination of multiphase Nb brings up myriad features encompassing increased ORR durability, immunity to phosphate anion poisoning, enhanced hydrogen oxidation reaction (HOR) activity, and oxidative carbon monoxide (CO) stripping, making this electrocatalyst useful in multiple fuel cell systems.« less

Method for the preparation of metal colloids in inverse micelles and product preferred by the method

DOEpatents

Wilcoxon, Jess P.

1992-01-01

A method is provided for preparing catalytic elemental metal colloidal particles (e.g. gold, palladium, silver, rhodium, iridium, nickel, iron, platinum, molybdenum) or colloidal alloy particles (silver/iridium or platinum/gold). A homogeneous inverse micelle solution of a metal salt is first formed in a metal-salt solvent comprised of a surfactant (e.g. a nonionic or cationic surfactant) and an organic solvent. The size and number of inverse micelles is controlled by the proportions of the surfactant and the solvent. Then, the metal salt is reduced (by chemical reduction or by a pulsed or continuous wave UV laser) to colloidal particles of elemental metal. After their formation, the colloidal metal particles can be stabilized by reaction with materials that permanently add surface stabilizing groups to the surface of the colloidal metal particles. The sizes of the colloidal elemental metal particles and their size distribution is determined by the size and number of the inverse micelles. A second salt can be added with further reduction to form the colloidal alloy particles. After the colloidal elemental metal particles are formed, the homogeneous solution distributes to two phases, one phase rich in colloidal elemental metal particles and the other phase rich in surfactant. The colloidal elemental metal particles from one phase can be dried to form a powder useful as a catalyst. Surfactant can be recovered and recycled from the phase rich in surfactant.

Microstructure Aspects of a Newly Developed, Low Cost, Corrosion-Resistant White Cast Iron

NASA Astrophysics Data System (ADS)

Sain, P. K.; Sharma, C. P.; Bhargava, A. K.

2013-04-01

The purpose of this work is to study the influence of heat treatment on the corrosion resistance of a newly developed white cast iron, basically suitable for corrosion- and wear-resistant applications, and to attain a microstructure that is most suitable from the corrosion resistance point of view. The composition was selected with an aim to have austenitic matrix both in as-cast and heat-treated conditions. The difference in electrochemical potential between austenite and carbide is less in comparison to that between austenite and graphite. Additionally, graphitic corrosion which is frequently encountered in gray cast irons is absent in white cast irons. These basic facts encouraged us to undertake this work. Optical metallography, hardness testing, X-ray diffractometry, and SEM-EDX techniques were employed to identify the phases present in the as-cast and heat-treated specimens of the investigated alloy and to correlate microstructure with corrosion resistance and hardness. Corrosion testing was carried out in 5 pct NaCl solution (approximate chloride content of sea water) using the weight loss method. In the investigated alloy, austenite was retained the in as-cast and heat-treated conditions. The same was confirmed by X-ray and EDX analysis. The stability and volume fraction of austenite increased with an increase of heat-treated temperature/time with a simultaneous decrease in the volume fraction of massive carbides. The decrease in volume fraction of massive carbides resulted in the availability of alloying elements. These alloying elements, on increasing the heat treatment temperature or increasing the soaking period at certain temperatures, get dissolved in austenite. As a consequence, austenite gets enriched as well as becomes more stable. On cooling from lower soaking period/temperature, enriched austenite decomposes to lesser enriched austenite and to a dispersed phase due to decreasing solid solubility of alloying elements with decreasing temperature. The dispersed second phase precipitated from the austenite adversely influenced corrosion resistance due to unfavorable morphology and enhanced galvanic action. Corrosion rate and hardness were found to decrease with an increase in heat treatment temperatures/soaking periods. It was essentially due to the increase in the volume fraction and stability of the austenitic matrix and favorable morphology of the second phase (carbides). The corrosion resistance of the investigated alloy, heat treated at 1223 K (950 °C) for 8 hours, was comparable to that of Ni-Resist iron. Thus, a microstructure comprising austenite and nearly spherical and finer carbides is the most appropriate from a corrosion point of view. Fortunately, the literature reveals that the same microstructure is also well suited from a wear point of view. It confirms that this investigated alloy will be suitable for corrosive-wear applications.

Anti-site disorder and improved functionality of Mn₂NiX (X = Al, Ga, In, Sn) inverse Heusler alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paul, Souvik; Kundu, Ashis; Ghosh, Subhradip, E-mail: subhra@iitg.ernet.in

2014-10-07

Recent first-principles calculations have predicted Mn₂NiX (X = Al, Ga, In, Sn) alloys to be magnetic shape memory alloys. Moreover, experiments on Mn₂NiGa and Mn₂NiSn suggest that the alloys deviate from the perfect inverse Heusler arrangement and that there is chemical disorder at the sublattices with tetrahedral symmetry. In this work, we investigate the effects of such chemical disorder on phase stabilities and magnetic properties using first-principles electronic structure methods. We find that except Mn₂NiAl, all other alloys show signatures of martensitic transformations in presence of anti-site disorder at the sublattices with tetrahedral symmetry. This improves the possibilities of realizingmore » martensitic transformations at relatively low fields and the possibilities of obtaining significantly large inverse magneto-caloric effects, in comparison to perfect inverse Heusler arrangement of atoms. We analyze the origin of such improvements in functional properties by investigating electronic structures and magnetic exchange interactions.« less

Microstructure and mechanical properties of V–4Ti–4Cr alloy as a function of the chemical heat treatment regimes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Potapenko, M. M., E-mail: mmp@bochvar.ru; Chernov, V. M.; Drobyshev, V. A.

2015-12-15

The regularities of the formation of a heterophase structure and mechanical properties of V–4Ti–4Cr alloy as a function of thermomechanical and chemical heat treatments are studied. The regimes of thermomechanical treatment which provide the formation of a heterophase structure with a homogeneous volume distribution of oxycarbonitride nanoparticles with a size of about 10 nm and an increase in the volume content and thermal stability of this phase and which provide an increase in the temperature of alloy recrystallization are developed. The formation of the heterophase structure results in a substantial (up to 70%) increase in the short-term high-temperature strength ofmore » the alloy at T = 800°C. The increase in the strength is achieved while keeping a rather high level of plasticity.« less

A fitting empirical potential for NiTi alloy and its application

NASA Astrophysics Data System (ADS)

Ren, Guowu; Tang, Tiegang; Sehitoglu, Huseyin

Due to its superelastic behavior, NiTi shape memory alloy receives considerable attentions over a wide range of industrial and commercial applications. Limited to its complex structural transformation and multiple variants, semiempirical potentials for performing large-scale molecular dynamics simulations to investigate the atomistic mechanical process, are very few. In this work, we construct a new interatomic potential for the NiTi alloy by fitting to experimental or ab initio data. The fitting potential correctly predicts the lattice parameter, structural stability, equation of state for cubic B2(austenite) and monoclinic B19'(martensite) phases. In particular the elastic properties(three elastic constants for B2 and thirteen ones for B19') are in satisfactory agreement with the experiments or ab initio calculations. Furthermore, we apply this potential to conduct the molecular dynamics simulations of the mechanical behavior for NiTi alloy and the results capture its reversible transformation.

First-principles predictions of structural, mechanical and electronic properties of βTiNb under high pressure

NASA Astrophysics Data System (ADS)

Wang, Z. P.; Fang, Q. H.; Li, J.; Liu, B.

2018-04-01

Structural, mechanical and electronic properties of βTiNb alloy under high pressure have been investigated based on the density functional theory (DFT). The dependences of dimensionless volume ratio, elastic constants, bulk modulus, Young's modulus, shear modulus, ductile/brittle, anisotropy and Poisson's ratio on applied pressure are all calculated successfully. The results reveal that βTiNb alloy is mechanically stable under pressure below 23.45 GPa, and the pressure-induced phase transformation could occur beyond this critical value. Meanwhile, the applied pressure can effectively promote the mechanical properties of βTiNb alloy, including the resistances to volume change, elastic deformation and shear deformation, as well as the material ductility and metallicity. Furthermore, the calculated electronic structures testify that βTiNb alloy performs the metallicity and the higher pressure reduces the structural stability of unit cell.

Oxide-free aC/Zr0.65Al0.075Cu0.275/aC phase plates for transmission electron microscopy.

PubMed

Dries, M; Obermair, M; Hettler, S; Hermann, P; Seemann, K; Seifried, F; Ulrich, S; Fischer, R; Gerthsen, D

2018-06-01

Thin-film phase plates (PP) have become a valuable tool for the imaging of organic objects in transmission electron microscopy (TEM). The thin film usually consists of amorphous carbon (aC), which undergoes rapid aging under intense illumination with high-energy electrons. The limited lifetime of aC film PPs calls for alternative PP materials with improved material stability. This work presents thin-film PPs fabricated from the metallic glass alloy Zr 0.65 Al 0.075 Cu 0.275 (ZAC), which was identified as a promising PP material with beneficial properties, such as a large inelastic mean free path. An adverse effect of the ZAC alloy is the formation of a surface oxide layer in ambient air, which reduces the electrical conductivity and causes electrostatic charging in the electron beam. To avoid surface oxidation, the ZAC alloy is enclosed by thin aC layers. The resulting aC/ZAC/aC layer system is used to fabricate Zernike and Hilbert PPs. Phase-contrast TEM imaging is demonstrated for a sample of carbon nanotubes, which show strong contrast enhancement in PP TEM images. Copyright © 2018 Elsevier B.V. All rights reserved.

In Situ Neutron Diffraction Analyzing Stress-Induced Phase Transformation and Martensite Elasticity in [001]-Oriented Co49Ni21Ga30 Shape Memory Alloy Single Crystals

NASA Astrophysics Data System (ADS)

Reul, A.; Lauhoff, C.; Krooß, P.; Gutmann, M. J.; Kadletz, P. M.; Chumlyakov, Y. I.; Niendorf, T.; Schmahl, W. W.

2018-02-01

Recent studies demonstrated excellent pseudoelastic behavior and cyclic stability under compressive loads in [001]-oriented Co-Ni-Ga high-temperature shape memory alloys (HT-SMAs). A narrow stress hysteresis was related to suppression of detwinning at RT and low defect formation during phase transformation due to the absence of a favorable slip system. Eventually, this behavior makes Co-Ni-Ga HT-SMAs promising candidates for several industrial applications. However, deformation behavior of Co-Ni-Ga has only been studied in the range of theoretical transformation strain in depth so far. Thus, the current study focuses not only on the activity of elementary deformation mechanisms in the pseudoelastic regime up to maximum theoretical transformation strains but far beyond. It is shown that the martensite phase is able to withstand about 5% elastic strain, which significantly increases the overall deformation capability of this alloy system. In situ neutron diffraction experiments were carried out using a newly installed testing setup on Co-Ni-Ga single crystals in order to reveal the nature of the stress-strain response seen in the deformation curves up to 10% macroscopic strain.

Microstructure characteristics and mechanical properties of laser-TIG hybrid welded dissimilar joints of Ti-22Al-27Nb and TA15

NASA Astrophysics Data System (ADS)

Zhang, Kezhao; Lei, Zhenglong; Chen, Yanbin; Liu, Ming; Liu, Yang

2015-10-01

Laser-TIG-hybrid-welding (TIG - tungsten inert gas) process was successfully applied to investigate the microstructure and tensile properties of Ti-22Al-27Nb/TA15 dissimilar joints. The HAZ of the arc zone in Ti-22Al-27Nb was characterized by three different regions: single B2, B2+α2 and B2+α2+O, while the single B2 phase region was absent in the HAZ of the laser zone. As for the HAZ in TA15 alloy, the microstructure mainly contained acicular α‧ martensites near the fusion line and partially remained the lamellar structure near the base metal. The fusion zone consisted of B2 phase due to the relatively high content of β phase stabilizing elements and fast cooling rate during the welding process. The tensile strength of the welds was higher than that of TA15 alloy because of the fully B2 microstructure in the fusion zone, and the fracture preferentially occurred on the base metal of TA15 alloy during the tensile tests at room temperature and 650 °C.

Study of twin-roll cast Aluminium alloys subjected to severe plastic deformation by equal channel angular pressing

NASA Astrophysics Data System (ADS)

Poková, M.; Cieslar, M.

2014-08-01

Aluminium alloys prepared by twin-roll casting method become widely used in industry applications. Their high solid solution supersaturation and finer grains ensure better mechanical properties when compared with the direct-chill cast ones. One of the possibilities how to enhance their thermal stability is the addition of zirconium. After heat treatment Al3Zr precipitates form and these pin moving grain boundaries when the material is exposed to higher temperatures. In the present work twin-roll cast aluminium alloys based on AA3003 with and without Zr addition were annealed for 8 hours at 450 °C to enable precipitation of Al3Zr phase. Afterwards they were subjected to severe plastic deformation by equal channel angular pressing, which led to the reduction of average grain size under 1 μm. During subsequent isochronal annealing recovery and recrystallization took place. These processes were monitored by microhardness measurements, light optical microscopy and in-situ transmission electron microscopy. The addition of Zr stabilizes the grain size and increases the recrystallization temperature by 100 °C.

A Comparison between Growth Morphology of "Eutectic" Cells/Dendrites and Single-Phase Cells/Dendrites

NASA Technical Reports Server (NTRS)

Tewari, S. N.; Raj, S. V.; Locci, I. E.

2003-01-01

Directionally solidified (DS) intermetallic and ceramic-based eutectic alloys with an in-situ composite microstructure containing finely distributed, long aspect ratio, fiber, or plate reinforcements are being seriously examined for several advanced aero-propulsion applications. In designing these alloys, additional solutes need to be added to the base eutectic composition in order to improve heir high-temperature strength, and provide for adequate toughness and resistance to environmental degradation. Solute addition, however, promotes instability at the planar liquid-solid interface resulting in the formation of two-phase eutectic "colonies." Because morphology of eutectic colonies is very similar to the single-phase cells and dendrites, the stability analysis of Mullins and Sekerka has been extended to describe their formation. Onset of their formation shows a good agreement with this approach; however, unlike the single-phase cells and dendrites, there is limited examination of their growth speed dependence of spacing, morphology, and spatial distribution. The purpose of this study is to compare the growth speed dependence of the morphology, spacing, and spatial distribution of eutectic cells and dendrites with that for the single-phase cells and dendrites.

Influence of Powder Metallurgical Processing Routes on Phase Formations in a Multicomponent NbSi-Alloy

NASA Astrophysics Data System (ADS)

Seemüller, C.; Hartwig, T.; Mulser, M.; Adkins, N.; Wickins, M.; Heilmaier, M.

2014-09-01

Refractory metal silicide composites on the basis of Nbss-Nb5Si3 have been investigated as potential alternatives for nickel-base superalloys for years because of their low densities and good high-temperature strengths. NbSi-based composites are typically produced by arc-melting or casting. Samples in this study, however, were produced by powder metallurgy because of the potential for near net-shape component fabrication with very homogeneous microstructures. Either gas atomized powder or high-energy mechanically alloyed elemental powders were compacted by powder injection molding or hot isostatic pressing. Heat treatments were applied for phase stability evaluation. Slight compositional changes (oxygen, nitrogen, or iron) introduced by the processing route, i.e., powder production and consolidation, can affect phase formations and phase transitions during the process. Special focus is put on the distinction between different silicides (Nb5Si3 and Nb3Si) and silicide modifications (α-, β-, and γ-Nb5Si3), respectively. These were evaluated by x-ray diffraction and energy-dispersive spectroscopy measurements with the additional inclusion of thermodynamic calculations using the calculated phase diagram method.

Measurements and mechanisms of localized aqueous corrosion in aluminum-lithium-copper alloys

NASA Technical Reports Server (NTRS)

Wall, Douglas; Stoner, Glenn E.

1991-01-01

Summary information is included for electrochemical aspects of stress corrosion cracking in alloy 2090 and an introduction to the work to be initiated on the new X2095 (Weldalite) alloy system. Stress corrosion cracking (SCC) was studied in both S-T and L-T orientations in alloy 2090. A constant load TTF test was performed in several environments with a potentiostatically applied potential. In the same environments the electrochemical behavior of phases found along subgrain boundaries was assessed. It was found that rapid failure due to SCC occurred when the following criteria was met: E(sub BR,T1) is less than E(sub applied) is less than E(sub Br, matrix phase). Although the L-T orientation is usually considered more resistant to SCC, failures in this orientation occurred when the stated criteria was met. This may be due to the relatively isotropic geometry of the subgrains which measure approximately 12 to 25 microns in diameters. Initial studies of alloy X2095 includes electrochemical characterization of three compositional variations each at three temperatures. The role of T(sub 1) dissolution in SCC behavior is addressed using techniques similar to those used in the research of 2090 described. SCC susceptibility is also studied using alternate immersion facilities at Reynolds Metals Corporation. Pitting is investigated in terms of stability, role of precipitate phases and constituent particles, and as initiation sites for SCC. In all research endeavors, attempts are made to link electrochemistry to microstructure. Previous work on 2090 provides a convenient basis for comparison since both alloys contain T(sub 1) precipitates but with different distributions. In 2090 T(sub 1) forms preferentially on subgrain boundaries whereas in X2095 the microstructure appears to be more homogeneous with finer T(sub 1) particles. Another point for comparison is the delta prime strengthening phase found in 2090 but absent in X2095.

Eutectic equilibria in the quaternary system Fe-Cr-Mn-C

NASA Technical Reports Server (NTRS)

Nowotny, H.; Wayne, S.; Schuster, J. C.

1982-01-01

The constitution of the quaternary system, Fe-Cr-Mn-C and to a lesser extent of the quinary system, Fe-Cr-Mn-Al-C were examined for in situ composite alloy candidates. Multivariant eutectic compositions were determined from phase equilibria studies wherein M7C3 carbides (approximately 30% by volume) formed from the melt within gamma iron. An extended field of the hexagonal carbide, (Cr, Fe, Mn)7 C3, was found without undergoing transformation to the orthorhombic structure. Increasing stability for this carbide was found for higher ratios of Cr/Fe(+) Cr + Mn. Aluminum additions promoted a ferritic matrix while manganese favored the desired gamma austenitic matrix. In coexistence with the matrix phase, chromium enters preferentially the carbide phase while manganese distributes equally between the gamma matrix and the M7C3 carbide. The composition and lattice parameters of the carbide and matrix phases were determined to establish their respective stabilities.

The study of aluminium anodes for high power density Al/air batteries with brine electrolytes

NASA Astrophysics Data System (ADS)

Nestoridi, Maria; Pletcher, Derek; Wood, Robert J. K.; Wang, Shuncai; Jones, Richard L.; Stokes, Keith R.; Wilcock, Ian

Aluminium alloys containing small additions of both tin (∼0.1 wt%) and gallium (∼0.05 wt%) are shown to dissolve anodically at high rates in sodium chloride media at room temperatures; current densities >0.2 A cm -2 can be obtained at potentials close to the open circuit potential, ∼-1500 mV versus SCE. The tin exists in the alloys as a second phase, typically as ∼1 μm inclusions (precipitates) distributed throughout the aluminium structure, and anodic dissolution occurs to form pits around the tin inclusions. Although the distribution of the gallium in the alloy could not be established, it is also shown to be critical in the formation of these pits as well as maintaining their activity. The stability of the alloys to open circuit corrosion and the overpotential for high rate dissolution, both critical to battery performance, are shown to depend on factors in addition to elemental composition; both heat treatment and mechanical working influence the performance of the alloy. The correlation between alloy performance and their microstructure has been investigated.

Mechanical and degradation property improvement in a biocompatible Mg-Ca-Sr alloy by thermomechanical processing

DOE PAGES

Henderson, Hunter B.; Ramaswamy, Vidhya; Wilson-Heid, Alexander E.; ...

2018-02-03

Magnesium-based alloys have attracted interest as a potential material to comprise biomedical implants that are simultaneously high-strength and temporary, able to provide stabilization before degrading safely and able to be excreted by the human body. Many alloy systems have been evaluated, but this work reports on improved properties through hot extrusion of one promising alloy: Mg-1.0 wt% Ca-0.5 wt%Sr. This alloy has previously demonstrated promising toxicity and degradation properties in the as-cast and rolled conditions. In the current study extrusion causes a dramatic improvement in the mechanical properties in tension and compression, as well as a low in vitro degradationmore » rate. Microstructure (texture, second phase distribution, and grain size), bulk mechanical properties, flow behavior, degradation in simulated body fluid, and effect on osteoblast cyctotoxicity are evaluated and correlated to extrusion temperature. In conclusion, maximum yield strength of 300 MPa (above that of annealed 316 stainless steel) with 10% elongation is observed, making this alloy competitive with existing implant materials.« less

Mechanical and degradation property improvement in a biocompatible Mg-Ca-Sr alloy by thermomechanical processing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Henderson, Hunter B.; Ramaswamy, Vidhya; Wilson-Heid, Alexander E.

Magnesium-based alloys have attracted interest as a potential material to comprise biomedical implants that are simultaneously high-strength and temporary, able to provide stabilization before degrading safely and able to be excreted by the human body. Many alloy systems have been evaluated, but this work reports on improved properties through hot extrusion of one promising alloy: Mg-1.0 wt% Ca-0.5 wt%Sr. This alloy has previously demonstrated promising toxicity and degradation properties in the as-cast and rolled conditions. In the current study extrusion causes a dramatic improvement in the mechanical properties in tension and compression, as well as a low in vitro degradationmore » rate. Microstructure (texture, second phase distribution, and grain size), bulk mechanical properties, flow behavior, degradation in simulated body fluid, and effect on osteoblast cyctotoxicity are evaluated and correlated to extrusion temperature. In conclusion, maximum yield strength of 300 MPa (above that of annealed 316 stainless steel) with 10% elongation is observed, making this alloy competitive with existing implant materials.« less

Mechanical and degradation property improvement in a biocompatible Mg-Ca-Sr alloy by thermomechanical processing.

PubMed

Henderson, Hunter B; Ramaswamy, Vidhya; Wilson-Heid, Alexander E; Kesler, Michael S; Allen, Josephine B; Manuel, Michele V

2018-04-01

Magnesium-based alloys have attracted interest as a potential material to comprise biomedical implants that are simultaneously high-strength and temporary, able to provide stabilization before degrading safely and able to be excreted by the human body. Many alloy systems have been evaluated, but this work reports on improved properties through hot extrusion of one promising alloy: Mg-1.0 wt% Ca-0.5 wt%Sr. This alloy has previously demonstrated promising toxicity and degradation properties in the as-cast and rolled conditions. In the current study extrusion causes a dramatic improvement in the mechanical properties in tension and compression, as well as a low in vitro degradation rate. Microstructure (texture, second phase distribution, and grain size), bulk mechanical properties, flow behavior, degradation in simulated body fluid, and effect on osteoblast cyctotoxicity are evaluated and correlated to extrusion temperature. Maximum yield strength of 300 MPa (above that of annealed 316 stainless steel) with 10% elongation is observed, making this alloy competitive with existing implant materials. Copyright © 2018 The Author(s). Published by Elsevier Ltd.. All rights reserved.

An in situ USAXS-SAXS-WAXS study of precipitate size distribution evolution in a model Ni-based alloy.

PubMed

Andrews, Ross N; Serio, Joseph; Muralidharan, Govindarajan; Ilavsky, Jan

2017-06-01

Intermetallic γ' precipitates typically strengthen nickel-based superalloys. The shape, size and spatial distribution of strengthening precipitates critically influence alloy strength, while their temporal evolution characteristics determine the high-temperature alloy stability. Combined ultra-small-, small- and wide-angle X-ray scattering (USAXS-SAXS-WAXS) analysis can be used to evaluate the temporal evolution of an alloy's precipitate size distribution (PSD) and phase structure during in situ heat treatment. Analysis of PSDs from USAXS-SAXS data employs either least-squares fitting of a preordained PSD model or a maximum entropy (MaxEnt) approach, the latter avoiding a priori definition of a functional form of the PSD. However, strong low- q scattering from grain boundaries and/or structure factor effects inhibit MaxEnt analysis of typical alloys. This work describes the extension of Bayesian-MaxEnt analysis methods to data exhibiting structure factor effects and low- q power law slopes and demonstrates their use in an in situ study of precipitate size evolution during heat treatment of a model Ni-Al-Si alloy.

An in situ USAXS–SAXS–WAXS study of precipitate size distribution evolution in a model Ni-based alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Andrews, Ross N.; Serio, Joseph A.; Muralidharan, Govindarajan

Intermetallic γ' precipitates typically strengthen nickel-based superalloys. The shape, size and spatial distribution of strengthening precipitates critically influence alloy strength, while their temporal evolution characteristics determine the high-temperature alloy stability. Combined ultra-small-, small- and wide-angle X-ray scattering (USAXS–SAXS–WAXS) analysis can be used to evaluate the temporal evolution of an alloy's precipitate size distribution (PSD) and phase structure duringin situheat treatment. Analysis of PSDs from USAXS–SAXS data employs either least-squares fitting of a preordained PSD model or a maximum entropy (MaxEnt) approach, the latter avoidinga prioridefinition of a functional form of the PSD. However, strong low-qscattering from grain boundaries and/or structuremore » factor effects inhibit MaxEnt analysis of typical alloys. Lastly, this work describes the extension of Bayesian–MaxEnt analysis methods to data exhibiting structure factor effects and low-qpower law slopes and demonstrates their use in anin situstudy of precipitate size evolution during heat treatment of a model Ni–Al–Si alloy.« less

An in situ USAXS–SAXS–WAXS study of precipitate size distribution evolution in a model Ni-based alloy

DOE PAGES

Andrews, Ross N.; Serio, Joseph A.; Muralidharan, Govindarajan; ...

2017-05-30

Intermetallic γ' precipitates typically strengthen nickel-based superalloys. The shape, size and spatial distribution of strengthening precipitates critically influence alloy strength, while their temporal evolution characteristics determine the high-temperature alloy stability. Combined ultra-small-, small- and wide-angle X-ray scattering (USAXS–SAXS–WAXS) analysis can be used to evaluate the temporal evolution of an alloy's precipitate size distribution (PSD) and phase structure duringin situheat treatment. Analysis of PSDs from USAXS–SAXS data employs either least-squares fitting of a preordained PSD model or a maximum entropy (MaxEnt) approach, the latter avoidinga prioridefinition of a functional form of the PSD. However, strong low-qscattering from grain boundaries and/or structuremore » factor effects inhibit MaxEnt analysis of typical alloys. Lastly, this work describes the extension of Bayesian–MaxEnt analysis methods to data exhibiting structure factor effects and low-qpower law slopes and demonstrates their use in anin situstudy of precipitate size evolution during heat treatment of a model Ni–Al–Si alloy.« less

Pressure-magnetic field induced phase transformation in Ni{sub 46}Mn{sub 41}In{sub 13} Heusler alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rama Rao, N. V., E-mail: nvrrao@dmrl.drdo.in; Manivel Raja, M.; Pandian, S.

2014-12-14

The effect of hydrostatic pressure and magnetic field on the magnetic properties and phase transformation in Ni{sub 46}Mn{sub 41}In{sub 13} Heusler alloy was investigated. Pressure (P)-magnetic field (H)-temperature (T) phase diagram has been constructed from experimental results. In the P–T contour of the phase diagram, the slope of the austenite-martensite phase boundary line appears positive (dT/dP > 0), while it appears negative (dT/dH < 0) in the H–T contour. The results revealed that pressure and magnetic field have opposite effect on phase stabilization. The combined effect of pressure and magnetic field on martensitic transition has led to two important findings: (i) pressure dependent shiftmore » of austenite start temperature (A{sub s}) is higher when larger field is applied, and (ii) field dependent shift of A{sub s} is lowered when a higher pressure is applied. The pressure and magnetic field dependent shift observed in the martensitic transformation has been explained on the basis of thermodynamic calculations. Curie temperature of the phases was found to increase with pressure at a rate of 0.6 K/kbar.« less

Ni3Si(Al)/a-SiOx core shell nanoparticles: characterization, shell formation, and stability

NASA Astrophysics Data System (ADS)

Pigozzi, G.; Mukherji, D.; Gilles, R.; Barbier, B.; Kostorz, G.

2006-08-01

We have used an electrochemical selective phase dissolution method to extract nanoprecipitates of the Ni3Si-type intermetallic phase from two-phase Ni-Si and Ni-Si-Al alloys by dissolving the matrix phase. The extracted nanoparticles are characterized by transmission electron microscopy, energy-dispersive x-ray spectrometry, x-ray powder diffraction, and electron powder diffraction. It is found that the Ni3Si-type nanoparticles have a core-shell structure. The core maintains the size, the shape, and the crystal structure of the precipitates that existed in the bulk alloys, while the shell is an amorphous phase, containing only Si and O (SiOx). The shell forms around the precipitates during the extraction process. After annealing the nanoparticles in nitrogen at 700 °C, the tridymite phase recrystallizes within the shell, which remains partially amorphous. In contrast, on annealing in air at 1000 °C, no changes in the composition or the structure of the nanoparticles occur. It is suggested that the shell forms after dealloying of the matrix phase, where Si atoms, the main constituents of the shell, migrate to the surface of the precipitates.

Ni(3)Si(Al)/a-SiO(x) core-shell nanoparticles: characterization, shell formation, and stability.

PubMed

Pigozzi, G; Mukherji, D; Gilles, R; Barbier, B; Kostorz, G

2006-08-28

We have used an electrochemical selective phase dissolution method to extract nanoprecipitates of the Ni(3)Si-type intermetallic phase from two-phase Ni-Si and Ni-Si-Al alloys by dissolving the matrix phase. The extracted nanoparticles are characterized by transmission electron microscopy, energy-dispersive x-ray spectrometry, x-ray powder diffraction, and electron powder diffraction. It is found that the Ni(3)Si-type nanoparticles have a core-shell structure. The core maintains the size, the shape, and the crystal structure of the precipitates that existed in the bulk alloys, while the shell is an amorphous phase, containing only Si and O (SiO(x)). The shell forms around the precipitates during the extraction process. After annealing the nanoparticles in nitrogen at 700 °C, the tridymite phase recrystallizes within the shell, which remains partially amorphous. In contrast, on annealing in air at 1000 °C, no changes in the composition or the structure of the nanoparticles occur. It is suggested that the shell forms after dealloying of the matrix phase, where Si atoms, the main constituents of the shell, migrate to the surface of the precipitates.

Effects of cooling rate and stabilization annealing on fatigue behavior of β-processed Ti-6Al-4V alloys

NASA Astrophysics Data System (ADS)

Seo, Wongyu; Jeong, Daeho; Lee, Dongjun; Sung, Hyokyung; Kwon, Yongnam; Kim, Sangshik

2017-07-01

The effects of stabilization annealing and cooling rate on high cycle fatigue (HCF) and fatigue crack propagation (FCP) behaviors of β-processed Ti64 alloys were examined. After β-process heating above β transus, two different cooling rates of air cooling (β-annealing) and water quenching (β-quenching) were utilized. Selected specimens were then underwent stabilization annealing. The tensile tests, HCF and FCP tests on conducted on the β-processed Ti64 specimens with and without stabilization annealing. No notable microstructural and mechanical changes with stabilization annealing was observed for the β-annealed Ti64 alloys. However, significant effect of stabilization annealing was found on the FCP behavior of β-quenched Ti64 alloys, which appeared to be related to the built-up of residual stress after quenching. The mechanical behavior of β-processed Ti64 alloys with and with stabilization annealing was discussed based on the micrographic examination, including crack growth path and crack nucleation site, and fractographic analysis.

Miniature Fixed Points as Temperature Standards for In Situ Calibration of Temperature Sensors

NASA Astrophysics Data System (ADS)

Hao, X. P.; Sun, J. P.; Xu, C. Y.; Wen, P.; Song, J.; Xu, M.; Gong, L. Y.; Ding, L.; Liu, Z. L.

2017-06-01

Miniature Ga and Ga-In alloy fixed points as temperature standards are developed at National Institute of Metrology, China for the in situ calibration of temperature sensors. A quasi-adiabatic vacuum measurement system is constructed to study the phase-change plateaus of the fixed points. The system comprises a high-stability bath, a quasi-adiabatic vacuum chamber and a temperature control and measurement system. The melting plateau of the Ga fixed point is longer than 2 h at 0.008 W. The standard deviation of the melting temperature of the Ga and Ga-In alloy fixed points is better than 2 mK. The results suggest that the melting temperature of the Ga or Ga-In alloy fixed points is linearly related with the heating power.

Defining a Materials Database for the Design of Copper Binary Alloy Catalysts for Electrochemical CO2 Conversion.

PubMed

Lee, Chan Woo; Yang, Ki Dong; Nam, Dae-Hyun; Jang, Jun Ho; Cho, Nam Heon; Im, Sang Won; Nam, Ki Tae

2018-01-24

While Cu electrodes are a versatile material in the electrochemical production of desired hydrocarbon fuels, Cu binary alloy electrodes are recently proposed to further tune reaction directionality and, more importantly, overcome the intrinsic limitation of scaling relations. Despite encouraging empirical demonstrations of various Cu-based metal alloy systems, the underlying principles of their outstanding performance are not fully addressed. In particular, possible phase segregation with concurrent composition changes, which is widely observed in the field of metallurgy, is not at all considered. Moreover, surface-exposed metals can easily form oxide species, which is another pivotal factor that determines overall catalytic properties. Here, the understanding of Cu binary alloy catalysts for CO 2 reduction and recent progress in this field are discussed. From the viewpoint of the thermodynamic stability of the alloy system and elemental mixing, possible microstructures and naturally generated surface oxide species are proposed. These basic principles of material science can help to predict and understand metal alloy structure and, moreover, act as an inspiration for the development of new binary alloy catalysts to further improve CO 2 conversion and, ultimately, achieve a carbon-neutral cycle. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Plastic behavior of two-phase intermetallic compounds based on L1{sub 2}-type (Al,Cr){sub 3}Ti

DOE Office of Scientific and Technical Information (OSTI.GOV)

Park, J.Y.; Wee, D.M.; Oh, M.H.

Plastic behavior of two-phase intermetallic compounds based on L1{sub 2}-type (Al,Cr){sub 3}Ti was investigated using compression test at R.T. and 77K. L1{sub 2} single phase alloys and two-phase alloys consisting of mainly L1{sub 2} phase and a few or 20% (mole percent) second phases were selected from Al-Ti-Cr phase diagram. In general, compared with L1{sub 2} single phase, two-phase alloys consisting of 20% second phase showed relatively high yield strength and poor ductility. Among the alloys, however, Al-21Ti-23Cr alloy consisting of 20% Cr{sub 2}Al phase showed available ductility as well as high yield strength. Plastic behavior of L1{sub 2} singlemore » phase alloys and two-phase alloys consisting of a few Cr{sub 2}Al was also investigated. Homogenization of arc melted ingots substantially reduced the amount of second phases but introduced extensive pore. When Cr content increased in L1{sub 2} single phase alloys after the homogenization, the volume fraction of pores in the alloys decreased, and no residual porosity was observed in two-phase alloys consisting of a few% Cr{sub 2}Al phase. Environmental effect on the ductility of the alloys was investigated using compression test at different strain rates (1.2 {times} 10{sup {minus}4}/s and 1.2 {times} 10{sup {minus}2}/s). Environmental embrittlement was least significant in Al-25Ti-10Cr alloy consisting of L1{sub 2} single phase among the alloys tested in this study. However, based on the combined estimation of the pore formation, environmental embrittlement and ingot cast structure, it could be supposed that Al-21Ti-23Cr alloy consisting of 20% Cr{sub 2}Al as a second phase is expected to show the best tensile elongation behavior among the materials tested.« less

Phase Relations of Iron and Iron-Nickel Alloys up to 3 Mbars

NASA Astrophysics Data System (ADS)

Kuwayama, Y.; Hirose, K.; Sata, N.; Ohishi, Y.

2007-12-01

Iron is believed to be the major component of the Earth's core because it is the most abundant element that satisfies the observed seismic densities. Based on cosmochemical models and the studies of iron meteorites, it is generally accepted that the Earth's core also contains substantial amounts of nickel. Therefore, the high pressure behaviour of iron-nickel alloys is crucially important for interpreting and constraining geophysical and geochemical models of the Earth's core. The phase relation of iron at relatively low pressure has been well established. α-Fe with bcc structure at ambient condition transforms to γ-Fe at high temperature and to ɛ-Fe with hcp structure at above ~ 10 GPa. In contrast, the phase relation and the crystal structure at high pressure and temperature are still highly controversial. The phase relations of iron-nickel alloys were also studied in an externally-heated diamond-anvil cell (Huang et al. 1988, 1992) and in a laser-heated diamond-anvil cell (Lin et al. 2002, Mao et al. 2005, Dubrovinsky et al. 2007), but these experiments were limited to the pressure of 225 GPa. Applications of the previous results to the Earth's inner core conditions required significant extrapolations. In this study, we have investigated the phase relations of iron and a number of iron-nickel alloys in a wide range of pressures (>300 GPa), temperatures (>2000 K) and compositions (0-80 wt% Ni) using a laser-heated diamond-anvil cell with synchrotron x-ray diffraction. For iron, in-situ x-ray diffraction studies showed a wide range of stability of ɛ-Fe with an hcp structure up to 300 GPa and 2000 K and up to 343 GPa at room temperature. No evidence for the existence of phases other than ɛ-Fe, such as β-Fe with a dhcp structure (suggested by Dubrovinsky et al. 2000) or orthorhombic structure (suggested by Andrault et al. 1997), was observed. For iron-nickel alloys, high pressure and temperature experiments were conducted on Fe-18.4 wt% Ni, Fe-24.9 wt% Ni, Fe-35.7 wt% Ni, Fe-50.0 wt% Ni and Fe-80.0 wt% Ni up to 300 GPa. The experimental results indicate that the iron-nickel alloys strongly favour an fcc structure under multimegabar pressures. Our results can directly apply to the Earth's inner core pressures and the phase relations of iron- nickel alloys may interpret seismically observed anisotropy and discontinuity in the Earth's inner core.

Microstructure Formations in the Two-Phase Region of the Binary Peritectic Organic System TRIS-NPG

NASA Technical Reports Server (NTRS)

Mogeritsch, Johann; Ludwig, Andreas

2012-01-01

In order to prepare for an onboard experiment on the International Space Station (ISS), systematic directional solidification experiments with transparent hypoperitectic alloys were carried out at different solidification rates around the critical velocity for morphological stability of both solid phases. The investigations were done in the peritectic region of the binary transparent organic TRIS-NPG system where the formation of layered structures is expected to occur. The transparent appearance of the liquid and solid phase enables real time observations of the dynamic of pattern formation during solidification. The investigations show that frequently occurring nucleation events govern the peritectic solidification morphology which occurs at the limit of morphological stability. As a consequence, banded structures lead to coupled growth even if the lateral growth is much faster compared to the growth in pulling direction.

Structural, electronic, elastic, and thermodynamic properties of CaSi, Ca2Si, and CaSi2 phases from first-principles calculations

NASA Astrophysics Data System (ADS)

Li, X. D.; Li, K.; Wei, C. H.; Han, W. D.; Zhou, N. G.

2018-06-01

The structural, electronic, elastic, and thermodynamic properties of CaSi, Ca2Si, and CaSi2 are systematically investigated by using first-principles calculations method based on density functional theory (DFT). The calculated formation enthalpies and cohesive energies show that CaSi2 possesses the greatest structural stability and CaSi has the strongest alloying ability. The structural stability of the three phases is compared according to electronic structures. Further analysis on electronic structures indicates that the bonding of these phases exhibits the combinations of metallic, covalent, and ionic bonds. The elastic constants are calculated, and the bulk modulus, shear modulus, Young's modulus, Poisson's ratio, and anisotropy factor of polycrystalline materials are deduced. Additionally, the thermodynamic properties were theoretically predicted and discussed.

Structural, electronic, magnetic, and transport properties of the equiatomic quaternary Heusler alloy CoRhMnGe: Theory and experiment

NASA Astrophysics Data System (ADS)

Rani, Deepika; Enamullah, Suresh, K. G.; Yadav, A. K.; Jha, S. N.; Bhattacharyya, D.; Varma, Manoj Raama; Alam, Aftab

2017-11-01

In this work, we present structural, electronic, magnetic, mechanical, and transport properties of equiatomic quaternary Heusler alloy, CoRhMnGe, using theoretical and experimental techniques. A detailed structural analysis is performed using x-ray diffraction and extended x-ray absorption fine structure spectroscopy. The alloy is found to crystallize in Y -type structure having space group F 4 ¯3 m (no. 216). The ab initio simulation predicts half-metallic ferromagnetic characteristics leading to large spin polarization. The calculated magnetization is found to be in fair agreement with experiment as well as those predicted by the Slater-Pauling rule, which is a prerequisite for half-metallicity. The magnetic transition temperature (TC) is found to be ˜760 K. Measured electrical resistivity in the temperature range 2-400 K also gives an indication of half-metallic behavior. Effect of hydrostatic pressure on electronic structure, magnetic, and mechanical properties are investigated in detail. The alloy is found to preserve half-metallic characteristics up to 30.27 GPa, beyond which it transits to metallic phase. No magnetic phase transition is found to occur in the whole range of pressure. The system also satisfies the Born-Huang criteria for mechanical stability up to a limited range of pressure. All these properties make the CoRhMnGe alloy promising for spintronics devices.

Tribological properties of the babbit B83-based composite materials fabricated by powder metallurgy

NASA Astrophysics Data System (ADS)

Kalashnikov, I. E.; Bolotova, L. K.; Bykov, P. A.; Kobeleva, L. I.; Katin, I. V.; Mikheev, R. S.; Kobernik, N. V.

2016-07-01

Technological processes are developed to fabricate composite materials based on B83 babbit using hot pressing of a mixture of powders in the presence of a liquid phase. As a result, the structure of the matrix B83 alloy is dispersed, the morphology of intermetallic phases is changed, and reinforcing micro- and nanosized fillers are introduced and uniformly distributed in the matrix. The tribological properties of the synthesized materials are studied. The friction of the B83 babbit + 0.5 wt % MSR + 3 wt % SiC (MSR is modified schungite rock) composite material at high loads is characterized by an increase in the stability coefficient, and the wear resistance of the material increases by a factor of 1.8 as compared to the as-cast alloy at comparable friction coefficients.

Ab Initio Molecular Dynamics Studies of Pb m Sb n ( m + n ≤ 9) Alloy Clusters

NASA Astrophysics Data System (ADS)

Song, Bingyi; Xu, Baoqiang; Yang, Bin; Jiang, Wenlong; Chen, Xiumin; Xu, Na; Liu, Dachun; Dai, Yongnian

2017-10-01

Structure, stability, and dynamics of Pb m Sb n ( m + n ≤ 9) clusters were investigated using ab initio molecular dynamics. Size dependence of binding energies, the second-order energy difference of clusters, dissociation energy, HOMO-LUMO gaps, Mayer bond order, and the diffusion coefficient of Pb m Sb n clusters were discussed. Results suggest that Pb3Sb2, Pb4Sb2, and Pb5Sb4 ( n = 2 or 4) clusters have higher stability than other clusters, which is consistent with previous findings. In case of Pb-Sb alloy, the dynamics results show that Pb4Sb2 (Pb-22.71 wt pct Sb) can exist in gas phase at 1073 K (800 °C), which reasonably explains the azeotropic phenomenon, and the calculated values are in agreement with the experimental results (Pb-22 wt pct Sb).

Study of retained austenite and nano-scale precipitation and their effects on properties of a low alloyed multi-phase steel by the two-step intercritical treatment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xie, Z.J.; Han, G., E-mail: hangang@mater.ustb.edu.cn; Zhou, W.H.

2016-03-15

Microstructure evolution and properties were studied in a low carbon low alloyed hot-rolled bainitic steel by annealing and annealing plus tempering. Microstructure of the hot-rolled steel consists of lath bainite and martensite. By annealing at 720 °C for 30 min and water quenching, multi-phase microstructure consisting of intercritical ferrite, tempered bainite/martensite, retained austenite and fresh martensite was obtained. With increasing annealing temperature to 760 °C, microstructure of the steel consisted of intercritical ferrite, fresh martensite without retained austenite. After the second step of tempering at 680 °C for samples annealed both at 720 °C and 760 °C, ~ 8–9% volumemore » fraction of retained austenite was obtained in the multi-phase microstructure. Moreover, fine precipitates of VC with size smaller than 10 nm and copper precipitates with size of ~ 10–50 nm were obtained after tempering. Results from scanning transmission electron microscopy (STEM) give evidence to support that the partitioning of Mn, Ni and Cu is of significance for retained austenite stabilization. Due to the combined contribution of multiphase microstructure, the transformation-induced-plasticity effect of retained austenite and strengthening effect of nanometer-sized precipitates, yield strength greater than 800 MPa, yield to tensile ratio of 0.9, uniform elongation of ~ 9% and good low temperature impact toughness of 147 J at − 40 °C were achieved. - Highlights: • Stable retained austenite was produced in a low alloyed steel. • Partition of Mn, Ni and Cu was confirmed by STEM for austenite stabilization. • Nano-sized VC and Cu precipitates were achieved by second tempering. • High strength–high toughness with low Y/T ratio was obtained.« less

Magnetotransport properties of microstructured AlCu2Mn Heusler alloy thin films in the amorphous and crystalline phase

NASA Astrophysics Data System (ADS)

Barzola-Quiquia, José; Stiller, Markus; Esquinazi, Pablo D.; Quispe-Marcatoma, Justiniano; Häussler, Peter

2018-06-01

We have studied the resistance, magnetoresistance and Hall effect of AlCu2Mn Heusler alloy thin films prepared by flash evaporation on substrates cooled at 4He liquid temperature. The as-prepared samples were amorphous and were annealed stepwise to induce the transformation to the crystalline phase. The amorphous phase is metastable up to above room temperature and the transition to the crystalline phase was observed by means of resistance measurements. Using transmission electron microscopy, we have determined the structure factor S (K) and the pair correlation function g (r) , both results indicate that amorphous AlCu2Mn is an electronic stabilized phase. The X-ray diffraction of the crystallized film shows peaks corresponding to the well ordered L21 phase. The resistance shows a negative temperature coefficient in both phases. The magnetoresistance (MR) is negative in both phases, yet larger in the crystalline state compared to the amorphous one. The magnetic properties were studied further by anomalous Hall effect measurements, which were present in both phases. In the amorphous state, the anomalous Hall effect disappears at temperatures below 175 K and is present up to above room temperature in the case of crystalline AlCu2Mn.

Fabrication of SiC-Particles-Shielded Al Spheres upon Recycling Al/SiC Composites

NASA Astrophysics Data System (ADS)

Madarasz, D.; Budai, I.; Kaptay, G.

2011-06-01

Wettability of liquid A359 alloy on SiC particles under molten salt NaCl-KCl-NaF is found at 180 deg, meaning that SiC particles prefer the molten salt phase against the Al phase or the Al/molten salt interface. Thus, this molten salt can be used for recycling, i.e., to separate the phases in the SiC reinforced Al matrix composites. If the separation process is interrupted, Al droplets (submillimeter solidified powder) can be produced, stabilized/surrounded by a monolayer of shielding SiC particles.

Stabilizing the body centered cubic crystal in titanium alloys by a nano-scale concentration modulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, H. L.; Shah, S. A. A.; Hao, Y. L.

It is well-known that the body centered cubic (bcc) crystal in titanium alloys reaches its stability limit as the electron-to-atom (e/a) ratio of the alloy drops down to ~4.24. This critical value, however, is much higher than that of a multifunctional bcc type alloy (e/a = 4.15). Here we demonstrate that a nano-scale concentration modulation created by spinodal decomposition is what stabilizes the bcc crystal of the alloy. Aided by such a nano-scale concentration heterogeneity, unexpected properties from its chemically homogeneous counterpart are obtained. This provides a new strategy to design functional titanium alloys by tuning the spinodal decomposition.

Hidden disorder in the α '→δ transformation of Pu-1.9 at.% Ga

DOE PAGES

Jeffries, J. R.; Manley, M. E.; Wall, M. A.; ...

2012-06-06

Enthalpy and entropy are thermodynamic quantities critical to determining how and at what temperature a phase transition occurs. At a phase transition, the enthalpy and temperature-weighted entropy differences between two phases are equal (ΔH=TΔS), but there are materials where this balance has not been experimentally or theoretically realized, leading to the idea of hidden order and disorder. In a Pu-1.9 at. % Ga alloy, the δ phase is retained as a metastable state at room temperature, but at low temperatures, the δ phase yields to a mixed-phase microstructure of δ- and α'-Pu. The previously measured sources of entropy associated withmore » the α'→δ transformation fail to sum to the entropy predicted theoretically. We report an experimental measurement of the entropy of the α'→δ transformation that corroborates the theoretical prediction, and implies that only about 65% of the entropy stabilizing the δ phase is accounted for, leaving a missing entropy of about 0.5 k B/atom. Some previously proposed mechanisms for generating entropy are discussed, but none seem capable of providing the necessary disorder to stabilize the δ phase. This hidden disorder represents multiple accessible states per atom within the δ phase of Pu that may not be included in our current understanding of the properties and phase stability of δ-Pu.« less

Thermomechanical Methodology for Stabilizing Shape Memory Alloy (SMA) Response

NASA Technical Reports Server (NTRS)

Padula, II, Santo A (Inventor)

2013-01-01

Methods and apparatuses for stabilizing the strain-temperature response for a shape memory alloy are provided. To perform stabilization of a second sample of the shape memory alloy, a first sample of the shape memory alloy is selected for isobaric treatment and the second sample is selected for isothermal treatment. When applying the isobaric treatment to the first sample, a constant stress is applied to the first sample. Temperature is also cycled from a minimum temperature to a maximum temperature until a strain on the first sample stabilizes. Once the strain on the first sample stabilizes, the isothermal treatment is performed on the second sample. During isothermal treatment, different levels of stress on the second sample are applied until a strain on the second sample matches the stabilized strain on the first sample.

Thermomechanical Methodology for Stabilizing Shape Memory Alloy (SMA) Response

NASA Technical Reports Server (NTRS)

Padula, Santo A., II (Inventor)

2016-01-01

Methods and apparatuses for stabilizing the strain-temperature response for a shape memory alloy are provided. To perform stabilization of a second sample of the shape memory alloy, a first sample of the shape memory alloy is selected for isobaric treatment and the second sample is selected for isothermal treatment. When applying the isobaric treatment to the first sample, a constant stress is applied to the first sample. Temperature is also cycled from a minimum temperature to a maximum temperature until a strain on the first sample stabilizes. Once the strain on the first sample stabilizes, the isothermal treatment is performed on the second sample. During isothermal treatment, different levels of stress on the second sample are applied until a strain on the second sample matches the stabilized strain on the first sample.

Thermal annealing and transient electronic excitations induced interfacial and magnetic effects on Pt/Co/Pt trilayer

NASA Astrophysics Data System (ADS)

Sehdev, Neeru; Medwal, Rohit; Malik, Rakesh; Kandasami, Asokan; Kanjilal, Dinakar; Annapoorni, S.

2018-04-01

Present study investigates the importance of thermal annealing and transient electronic excitations (using 100 MeV oxygen ions) in assisting the interfacial atomic diffusion, alloy composition, and magnetic switching field distributions in Pt/Co/Pt stacked trilayer. X-ray diffraction analysis reveals that thermal annealing results in the formation of the face centered tetragonal L1°CoPt phase. The Rutherford back scattering spectra shows a trilayer structure for as-deposited and as-irradiated films. Interlayer mixing on the thermally annealed films further improves by electronic excitations produced by high energy ion irradiation. Magnetically hard face centered tetragonal CoPt alloy retains its hard phase after ion irradiation and reveals an enhancement in the structural ordering and magnetic stability. Enhancement in the homogeneity of alloy composition and its correlation with the magnetic switching field is evident from this study. A detailed investigation of the contributing parameters shows that the magnetic switching behaviour varies with the type of thermal annealing, transient electronic excitations of ion beams and combination of these processes.

High strength nanostructured Al-based alloys through optimized processing of rapidly quenched amorphous precursors.

PubMed

Kim, Song-Yi; Lee, Gwang-Yeob; Park, Gyu-Hyeon; Kim, Hyeon-Ah; Lee, A-Young; Scudino, Sergio; Prashanth, Konda Gokuldoss; Kim, Do-Hyang; Eckert, Jürgen; Lee, Min-Ha

2018-01-18

We report the methods increasing both strength and ductility of aluminum alloys transformed from amorphous precursor. The mechanical properties of bulk samples produced by spark-plasma sintering (SPS) of amorphous Al-Ni-Co-Dy powders at temperatures above 673 K are significantly enhanced by in-situ crystallization of nano-scale intermetallic compounds during the SPS process. The spark plasma sintered Al 84 Ni 7 Co 3 Dy 6 bulk specimens exhibit 1433 MPa compressive yield strength and 1773 MPa maximum strength together with 5.6% plastic strain, respectively. The addition of Dy enhances the thermal stability of primary fcc Al in the amorphous Al-TM -RE alloy. The precipitation of intermetallic phases by crystallization of the remaining amorphous matrix plays important role to restrict the growth of the fcc Al phase and contributes to the improvement of the mechanical properties. Such fully crystalline nano- or ultrafine-scale Al-Ni-Co-Dy systems are considered promising for industrial application because their superior mechanical properties in terms of a combination of very high room temperature strength combined with good ductility.

Study of low-modulus biomedical β Ti-Nb-Zr alloys based on single-crystal elastic constants modeling.

PubMed

Wang, Xing; Zhang, Ligang; Guo, Ziyi; Jiang, Yun; Tao, Xiaoma; Liu, Libin

2016-09-01

CALPHAD-type modeling was used to describe the single-crystal elastic constants of the bcc solution phase in the ternary Ti-Nb-Zr system. The parameters in the model were evaluated based on the available experimental data and first-principle calculations. The composition-elastic properties of the full compositions were predicted and the results were in good agreement with the experimental data. It is found that the β phase can be divided into two regions which are separated by a critical dynamical stability composition line. The corresponding valence electron number per atom and the polycrystalline Young׳s modulus of the critical compositions are 4.04-4.17 and 30-40GPa respectively. Orientation dependencies of single-crystal Young׳s modulus show strong elastic anisotropy on the Ti-rich side. Alloys compositions with a Young׳s modulus along the <100> direction matching that of bone were found. The current results present an effective strategy for designing low modulus biomedical alloys using computational modeling. Copyright © 2016 Elsevier Ltd. All rights reserved.

Improved Electroformed Structural Copper and Copper Alloys

NASA Technical Reports Server (NTRS)

Malone, G. A.; Hudson, W.; Babcock, B.; Edwards, R.

1998-01-01

Electroforming offers a superior means for fabricating internally cooled heat exchangers and structures subjected to thermal environments. Copper is deposited from many such applications because of the good thermal conductivity. It suffers from mediocre yield strength as a structural material and loses mechanical strength at intermediate temperatures. Mechanical properties similar to those of electroformed nickel are desired. Phase 1 examined innovative means to improve deposited copper structural performance. Yield strengths as high as 483 MPa (70 ksi) were obtained with useful ductility while retaining a high level of purity essential to good thermal conductivity. Phase 2 represents a program to explore new additive combinations in copper electrolytes to produce a more fine, equiaxed grain which can be thermally stabilized by other techniques such as alloying in modest degrees and dispersion strengthening. Evaluation of new technology - such as the codeposition of fullerness (diamond-like) particles were made to enhance thermal conductivity in low alloys. A test fire quality tube-bundle engine was fabricated using these copper property improvement concepts to show the superiority of the new coppers and fabrications methods over competitive technologies such as brazing and plasma deposition.

EBSD as a tool to identify and quantify bainite and ferrite in low-alloyed Al-TRIP steels.

PubMed

Zaefferer, S; Romano, P; Friedel, F

2008-06-01

Bainite is thought to play an important role for the chemical and mechanical stabilization of metastable austenite in low-alloyed TRIP steels. Therefore, in order to understand and improve the material properties, it is important to locate and quantify the bainitic phase. To this aim, electron backscatter diffraction-based orientation microscopy has been employed. The main difficulty herewith is to distinguish bainitic ferrite from ferrite because both have bcc crystal structure. The most important difference between them is the occurrence of transformation induced geometrically necessary dislocations in the bainitic phase. To determine the areas with larger geometrically necessary dislocation density, the following orientation microscopy maps were explored: pattern quality maps, grain reference orientation deviation maps and kernel average misorientation maps. We show that only the latter allow a reliable separation of the bainitic and ferritic phase. The kernel average misorientation threshold value that separates both constituents is determined by an algorithm that searches for the smoothness of the boundaries between them.

Electrochemical synthesis of mesoporous Pt-Au binary alloys with tunable compositions for enhancement of electrochemical performance.

PubMed

Yamauchi, Yusuke; Tonegawa, Akihisa; Komatsu, Masaki; Wang, Hongjing; Wang, Liang; Nemoto, Yoshihiro; Suzuki, Norihiro; Kuroda, Kazuyuki

2012-03-21

Mesoporous Pt-Au binary alloys were electrochemically synthesized from lyotropic liquid crystals (LLCs) containing corresponding metal species. Two-dimensional exagonally ordered LLC templates were prepared on conductive substrates from diluted surfactant solutions including water, a nonionic surfactant, ethanol, and metal species by drop-coating. Electrochemical synthesis using such LLC templates enabled the preparation of ordered mesoporous Pt-Au binary alloys without phase segregation. The framework composition in the mesoporous Pt-Au alloy was controlled simply by changing the compositional ratios in the precursor solution. Mesoporous Pt-Au alloys with low Au content exhibited well-ordered 2D hexagonal mesostructures, reflecting those of the original templates. With increasing Au content, however, the mesostructural order gradually decreased, thereby reducing the electrochemically active surface area. Wide-angle X-ray diffraction profiles, X-ray photoelectron spectra, and elemental mapping showed that both Pt and Au were atomically distributed in the frameworks. The electrochemical stability of mesoporous Pt-Au alloys toward methanol oxidation was highly improved relative to that of nonporous Pt and mesoporous Pt films, suggesting that mesoporous Pt-Au alloy films are potentially applicable as electrocatalysts for direct methanol fuel cells. Also, mesoporous Pt-Au alloy electrodes showed a highly sensitive amperometric response for glucose molecules, which will be useful in next-generation enzyme-free glucose sensors.

Kr ion irradiation study of the depleted-uranium alloys

NASA Astrophysics Data System (ADS)

Gan, J.; Keiser, D. D.; Miller, B. D.; Kirk, M. A.; Rest, J.; Allen, T. R.; Wachs, D. M.

2010-12-01

Fuel development for the reduced enrichment research and test reactor (RERTR) program is tasked with the development of new low enrichment uranium nuclear fuels that can be employed to replace existing high enrichment uranium fuels currently used in some research reactors throughout the world. For dispersion type fuels, radiation stability of the fuel-cladding interaction product has a strong impact on fuel performance. Three depleted-uranium alloys are cast for the radiation stability studies of the fuel-cladding interaction product using Kr ion irradiation to investigate radiation damage from fission products. SEM analysis indicates the presence of the phases of interest: U(Al, Si) 3, (U, Mo)(Al, Si) 3, UMo 2Al 20, U 6Mo 4Al 43 and UAl 4. Irradiations of TEM disc samples were conducted with 500 keV Kr ions at 200 °C to ion doses up to 2.5 × 10 19 ions/m 2 (˜10 dpa) with an Kr ion flux of 10 16 ions/m 2/s (˜4.0 × 10 -3 dpa/s). Microstructural evolution of the phases relevant to fuel-cladding interaction products was investigated using transmission electron microscopy.

Synthesis of FeCoB amorphous nanoparticles and application in ferrofluids

NASA Astrophysics Data System (ADS)

Zhao, Shuchun; Bian, Xiufang; Yang, Chuncheng; Yu, Mengchun; Wang, Tianqi

2018-03-01

Magnetic FeCoB amorphous nanoparticles were successfully synthesized by borohydride reduction in water/n-hexane (W/He) microemulsions. The as-prepared FeCoB alloys are amorphous and spherical nanoparticles with an average particle size about 10.7 nm, compared to FeCoB alloys with an average particle size about 304.2 nm which were synthesized by a conventional aqua-solution method. Furthermore, three kinds of FeCoB ferrofluids (FFs) were prepared by dispersing FeCoB particles into W/He microemulsion, water and silicone oil respectively. Results show that the W/He-based FeCoB FFs are superparamagnetic with saturation magnetization (Ms) reaching to 12.4 emu/g. Besides, compared to water-based and silicone oil-based FFs, W/He-based FeCoB FFs exhibit high stability, with magnetic weights decreasing slightly even under the magnetic field intensity of H = 210 mT. In the W/He-based FeCoB FFs, interfacial tensions of water phase and oil phase are supposed to prevent the agglomeration and sedimentation of FeCoB nanoparticles dispersed in different water droplets of the microemulsion, compared to the current stabilizing method of directly modifying the surface of particles.

Thermal stability comparison of nanocrystalline Fe-based binary alloy pairs

DOE PAGES

Clark, Blythe G.; Hattar, Khalid Mikhiel; Marshall, Michael Thomas; ...

2016-03-24

Here, the widely recognized property improvements of nanocrystalline (NC) materials have generated significant interest, yet have been difficult to realize in engineering applications due to the propensity for grain growth in these interface-dense systems. While traditional pathways to thermal stabilization can slow the mobility of grain boundaries, recent theories suggest that solute segregation in NC alloy can reduce the grain boundary energy such that thermodynamic stabilization is achieved. Following the predictions of Murdock et al., here we compare for the first time the thermal stability of a predicted NC stable alloy (Fe-10at.% Mg) with a predicted non-NC stable alloy (Fe-10at.%more » Cu) using the same processing and characterization methodologies. Results indicate improved thermal stability of the Fe-Mg alloy in comparison to the Fe-Cu, and observed microstructures are consistent with those predicted by Monte Carlo simulations.« less

Ferromagnetism in half-metallic quaternary FeVTiAl Heusler compound

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhat, Tahir Mohiuddin; Bhat, Idris Hamid; Yousuf, Saleem

The electronic structure and magnetic properties of FeVTiAl quaternary Heusler alloy have been investigated within the density functional theory framework. The material was found completely spin-polarized half-metallic Ferromagnet in the ground state with F-43m structure. The structural stability was further confirmed by calculating different elastic constants in the cubic phase. Present study predicts an energy band gap of 0.72 eV calculated in localized minority spin channel at an equilibrium lattice parameter of 6.0Å. The calculated total spin magnetic moment of 2 µ{sub B}/f.u. is in agreement with the Slater-Pauling rule for full Heusler alloys.

Origin of Surface Irregularities on Ti-10V-2Fe-3Al Beta Titanium Alloy

NASA Astrophysics Data System (ADS)

Utama, Muhammad Iman; Ammar, Abdul Aziz; Park, Nokeun; Baek, Eung Ryul

2018-03-01

We studied the origin of different characteristics and properties of a Ti-10V-2Fe-3Al beta (β) titanium alloy with surface height irregularities that occurred during machining. The height differences were observed in two different regions, labeled as "soft region" and "hard region." The present study showed a higher Fe and a lower Al content in the hard region, which resulted in higher β-phase stability to resist primary alpha (αp) phase precipitation caused by a failure of the solution treatment process. In contrast, the soft region contained a higher volume fraction of αp phase and a lower volume fraction of the matrix, which consisted of a combination of β and secondary alpha (αs) phase. A high number of αs/β interface in the matrix with a predicted hardness of 520 HV generated an improvement of hardness in the hard region. Therefore, the hard and the soft regions had different abilities to resist wear during machining process, resulting in surface height irregularities.

Microstructure of RERTR DU-alloys irradiated with krypton ions up to 100 dpa

NASA Astrophysics Data System (ADS)

Gan, J.; Keiser, D. D., Jr.; Miller, B. D.; Wachs, D. M.; Allen, T. R.; Kirk, M.; Rest, J.

2011-04-01

The radiation stability of the interaction product formed at the fuel-matrix interface of research reactor dispersion fuels, under fission-product bombardment, has a strong impact on fuel performance. Three depleted uranium alloys were cast that consisted of the following five phases to be investigated: U(Si, Al) 3, (U, Mo)(Si, Al) 3, UMo 2Al 20, U 6Mo 4Al 43, and UAl 4. Irradiation of transmission electron microscopy (TEM) disc samples with 500-keV Kr ions at 200 °C to doses up to ˜100 displacements per atom (dpa) were conducted using a 300-keV electron microscope equipped with an ion accelerator. TEM results show that the U(Si, Al) 3 and UAl 4 phases remain crystalline at 100 dpa without forming voids. The (U, Mo)(Si, Al) 3 and UMo 2Al 20 phases become amorphous at 1 and ˜2 dpa, respectively, and show no evidence of voids at 100 dpa. The U 6Mo 4Al 43 phase goes to amorphous at less than 1 dpa and reveals high density voids at 100 dpa.

Variational formulation and stability analysis of a three dimensional superelastic model for shape memory alloys

NASA Astrophysics Data System (ADS)

Alessi, Roberto; Pham, Kim

2016-02-01

This paper presents a variational framework for the three-dimensional macroscopic modelling of superelastic shape memory alloys in an isothermal setting. Phase transformation is accounted through a unique second order tensorial internal variable, acting as the transformation strain. Postulating the total strain energy density as the sum of a free energy and a dissipated energy, the model depends on two material scalar functions of the norm of the transformation strain and a material scalar constant. Appropriate calibration of these material functions allows to render a wide range of constitutive behaviours including stress-softening and stress-hardening. The quasi-static evolution problem of a domain is formulated in terms of two physical principles based on the total energy of the system: a stability criterion, which selects the local minima of the total energy, and an energy balance condition, which ensures the consistency of the evolution of the total energy with respect to the external loadings. The local phase transformation laws in terms of Kuhn-Tucker relations are deduced from the first-order stability condition and the energy balance condition. The response of the model is illustrated with a numerical traction-torsion test performed on a thin-walled cylinder. Evolutions of homogeneous states are given for proportional and non-proportional loadings. Influence of the stress-hardening/softening properties on the evolution of the transformation domain is emphasized. Finally, in view of an identification process, the issue of stability of homogeneous states in a multi-dimensional setting is answered based on the study of second-order derivative of the total energy. Explicit necessary and sufficient conditions of stability are provided.

Stability of suspended gold and silver alloy monatomic chains

NASA Astrophysics Data System (ADS)

Fa, Wei; Dong, Jinming

2008-06-01

Using the first-principles plane wave pseudopotential method, we have studied the structures and stability of gold and silver alloy monatomic chains. It is found that minimizing system's enthalpy instead of its energy is critical to identify the stability of stretched alloy chains at zero temperature since the string tension can efficiently suppress the self-purification. Our simulations show that all the gold-containing chains do exhibit a local enthalpy minimum, giving a reasonable interpretation for the experimental observations of gold and silver alloy chains with different Ag concentrations [Bettini et al., Nat. Nanotechnol. 1, 182 (2006)]. These alloy chains are stabilized by the combined actions of the gold's relativistic effect and the string tension applied by the tip contacts, having similar geometrical structures to those of the pure gold chains.

Amorphous metal alloy

DOEpatents

Wang, R.; Merz, M.D.

1980-04-09

Amorphous metal alloys of the iron-chromium and nickel-chromium type have excellent corrosion resistance and high temperature stability and are suitable for use as a protective coating on less corrosion resistant substrates. The alloys are stabilized in the amorphous state by one or more elements of titanium, zirconium, hafnium, niobium, tantalum, molybdenum, and tungsten. The alloy is preferably prepared by sputter deposition.

Effects on the positive electrode of the corrosion of AB{sub 5} alloys in nickel-metal-hydride batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bernard, P.

1998-02-01

Effects of corrosion of MmNi{sub 4.3{minus}x}Mn{sub 0.3}Al{sub 0.4}Co{sub x} alloys (where Mm = Ce 50%, La 30%, Nd 15%, Pr 5%) are evaluated in nickel-metal-hydride (Ni-MH) cells. Particularly, it is shown how Al released by the corroded alloys pollutes the positive electrode, which endures a loss of charging efficiency, due to the formation of a hydrotalcite-like phase stabilized with Al. Furthermore, since Al is eluted from the hydride electrode and is completely trapped in the positive active material, the titration of this element in the positive electrode is a powerful technique for quantification of the corrosion of AB{sub 5} alloysmore » in Ni-MH cells.« less

Transport, Structural and Mechanical Properties of Quaternary FeVTiAl Alloy

NASA Astrophysics Data System (ADS)

Bhat, Tahir Mohiuddin; Gupta, Dinesh C.

2016-11-01

The electronic, structural, magnetic and transport properties of FeVTiAl quaternary alloy have been investigated within the framework of density functional theory. The material is a completely spin-polarized half-metallic ferromagnet in its ground state with F-43m structure. The structural stability was further confirmed by elastic constants in the cubic phase with high Young's modulus and brittle nature. The present study predicts an energy band gap of 0.72 eV in a localized minority spin channel at equilibrium lattice parameter of 6.00 Å. The transport properties of the material are discussed based on the Seebeck coefficient, and electrical and thermal conductivity coefficients. The alloy presents large values of Seebeck coefficients, ~39 μV K-1 at room temperature (300 K), and has an excellent thermoelectric performance with ZT = ~0.8.

Breakaway phenomenon of Zr-based alloys during a high-temperature oxidation

NASA Astrophysics Data System (ADS)

Baek, Jong Hyuk; Jeong, Yong Hwan

2008-01-01

The breakaway oxidation phenomena in Zr-based alloys were studied in the temperature range of 950-1200 °C for up to 36 000 s by using a modified thermo-gravimetric analyzer. After the oxidation tests, the oxidation behaviors, breakaway oxidation time, hydrogen pick-up contents, and oxidation rate constants of the alloys were systematically evaluated in this study. The breakaway oxidation time was shortened with an increase of the Sn content in the Zr alloys. A breakaway oxidation phenomenon could be caused by the transition of a tetragonal oxide phase into a monoclinic one, and the oxide transition could lead to form the oxide cracks in both the lateral and radial directions. The cracks within the oxide layer could result in catastrophic increase in the weight gain rates and rapid increase the hydrogen pick-up within the oxygen-stabilized α-Zr and prior β-Zr layers. The oxidation rate constants calculated from the post-breakaway data in the Zr alloys with breakaway oxidation behaviors matched well with the values from both the Baker-Just and Cathcart-Pawel correlations.

An in situ USAXS–SAXS–WAXS study of precipitate size distribution evolution in a model Ni-based alloy1

PubMed Central

Andrews, Ross N.; Serio, Joseph; Muralidharan, Govindarajan; Ilavsky, Jan

2017-01-01

Intermetallic γ′ precipitates typically strengthen nickel-based superalloys. The shape, size and spatial distribution of strengthening precipitates critically influence alloy strength, while their temporal evolution characteristics determine the high-temperature alloy stability. Combined ultra-small-, small- and wide-angle X-ray scattering (USAXS–SAXS–WAXS) analysis can be used to evaluate the temporal evolution of an alloy’s precipitate size distribution (PSD) and phase structure during in situ heat treatment. Analysis of PSDs from USAXS–SAXS data employs either least-squares fitting of a preordained PSD model or a maximum entropy (MaxEnt) approach, the latter avoiding a priori definition of a functional form of the PSD. However, strong low-q scattering from grain boundaries and/or structure factor effects inhibit MaxEnt analysis of typical alloys. This work describes the extension of Bayesian–MaxEnt analysis methods to data exhibiting structure factor effects and low-q power law slopes and demonstrates their use in an in situ study of precipitate size evolution during heat treatment of a model Ni–Al–Si alloy. PMID:28656039

Impact of aluminum doping on the thermo-physical properties of refractory medium-entropy alloys

NASA Astrophysics Data System (ADS)

Tian, Fuyang; Wang, Yang; Vitos, Levente

2017-01-01

We investigate the elastic moduli, ideal tensile strength, and thermodynamic properties of TiVNb and AlTiVNb refractory medium-entropy alloys (HEAs) by using ab initio alloy theories: the coherent potential approximation (CPA), the special quasi-random supercell (SQS), and a 432-atom supercell (SC). We find that with increasing number of alloy components, the SQS elastic constants become sensitive to the supercell size. The predicted elastic moduli are consistent with the available experiments. Aluminum doping decreases the stability of the body centered cubic phase. The ideal tensile strength calculation indicates that adding equiatomic Al to TiVNb random solid solution increases the intrinsic strength (ideal strain increase from 9.6% to 11.8%) and decreases the intrinsic strength (from 9.6 to 5.7 GPa). Based on the equation of states calculated by the CPA and SC methods, the thermodynamic properties obtained by the two ab initio methods are assessed. The L21 AlTiVNb (Ti-Al-V-Nb) alloy is predicted to be thermodynamically and dynamically stable with respect to the solid solution.

On the formation and stability of nanometer scale precipitates in ferritic alloys during processing and high temperature service

NASA Astrophysics Data System (ADS)

Alinger, Matthew J.

Iron powders containing ≈14wt%Cr and smaller amounts of W and Ti were mechanically alloyed (MA) by ball milling with Y2O3 and subsequently either hot consolidated by hot extrusion or isostatic pressing, or powder annealed, producing very high densities of nm-scale coherent transition phase precipitates, or Y-Ti-O nano-clusters (NCs), along with fine-scale grains. These so-called nanostructured ferritic alloys (NFAs) manifest very high strength (static and creep) and corrosion-oxidation resistance up to temperatures in excess of 800°C. We used a carefully designed matrix of model MA powders and consolidated alloys to systematically assess the NC evolutions during each processing step, and to explore the combined effects of alloy composition and a number of processing variables, including the milling energy, consolidation method and the time and temperature of annealing of the as-milled powders. The stability of the NCs was also characterized during high-temperate post-consolidation annealing of a commercial NFA, MA957. The micro-nanostructural evolutions, and their effects on the alloy strength, were characterized by a combination of techniques, including XRD, TEM, atom-probe tomography (APT) and positron annihilation spectroscopy (PAS). However, small angle neutron scattering (SANS) was the primary tool used to characterize the nm-scale precipitates. The effect of the micro-nanostructure on the alloy strength was assessed by microhardness measurements. The studies revealed the critical sequence-of-events in forming the NCs, involves dissolution of Y, Ti and O during ball milling. The supersaturated solutes then precipitate during hot consolidation or powder annealing. The precipitate volume fraction increases with both the milling energy and Ti additions at lower consolidation and annealing temperatures (850°C), and at higher processing temperatures (1150°C) both are needed to produce NCs. The non-equilibrium kinetics of NC formation are nucleation controlled and independent of time with an effective activation energy of ≈60 kJ/mole. High temperature precipitate coarsening and transformations to oxide phases show a high effective activation energy (≈880 kJ/mole) and have a time dependence characteristic of a dislocation pipe diffusion mechanism. The NCs act as weak to moderately strong (alpha = 0.1 to 0.5) obstacles that can be sheared by dislocations, where the obstacle strength increases with alpha ≈0.37log(r/2b).

Thermal expansion and microstructural analysis of experimental metal-ceramic titanium alloys.

PubMed

Zinelis, Spiros; Tsetsekou, Athena; Papadopoulos, Triantafillos

2003-10-01

Statement of problem Low-fusing porcelains for titanium veneering have demonstrated inferior color stability and metal-ceramic longevity compared to conventional porcelains. This study evaluated the microstructure and thermal expansion coefficients of some experimental titanium alloys as alternative metallic substrates for low-fusing conventional porcelain. Commercially pure titanium (CP Ti) and various metallic elements (Al, Co, Sn, Ga, In, Mn) were used to prepare 8 titanium alloys using a commercial 2-chamber electric-arc vacuum/inert gas dental casting machine (Cyclarc). The nominal compositions of these alloys were the following (wt%): I: 80Ti-18Sn-1.5In-0.5Mn; II: 76Ti-12Ga-7Sn-4Al-1Co; III: 87Ti-13Ga; IV: 79Ti-13Ga-7Al-1Co; V: 82Ti-18In; VI: 75.5Ti-18In-5Al-1Co-0.5Mn; VII: 85Ti-10Sn-5Al; VIII: 78Ti-12Co-7Ga-3Sn. Six rectangular wax patterns for each test material (l = 25 mm, w = 3 mm, h = 1 mm) were invested with magnesia-based material and cast with grade II CP Ti (control) and the 8 experimental alloys. The porosity of each casting was evaluated radiographically, and defective specimens were discarded. Two cast specimens from CP Ti and alloys I-VIII were embedded in epoxy resin and, after metallographic grinding and polishing, were studied by means of scanning electron microscopy and wavelength dispersive electron probe microanalysis. One specimen of each material was utilized for the determination of coefficient of thermal expansion (CTE) with a dilatometer operating from room temperature up to 650 degrees C at a heating rate of 5 degrees C/minute. Secondary electron images (SEI) and compositional backscattered electron images (BEI-COMPO) revealed that all cast specimens consisted of a homogeneous matrix except Alloy VIII, which contained a second phase (possibly Ti(2)Co) along with the titanium matrix. The results showed that the coefficient of thermal expansion (CTE) varied from 10.1 to 13.1 x 10(-6)/ degrees C (25 degrees -500 degrees C), depending on the elemental composition. The CTE of titanium can be considerably changed by alloying. Two-phase alloys were developed when alloying elements were added in concentrations greater than the maximum solubility limit in alpha-titanium phase.

Electrochemical Behavior of Biomedical Titanium Alloys Coated with Diamond Carbon in Hanks' Solution

NASA Astrophysics Data System (ADS)

Gnanavel, S.; Ponnusamy, S.; Mohan, L.; Radhika, R.; Muthamizhchelvan, C.; Ramasubramanian, K.

2018-03-01

Biomedical implants in the knee and hip are frequent failures because of corrosion and stress on the joints. To solve this important problem, metal implants can be coated with diamond carbon, and this coating plays a critical role in providing an increased resistance to implants toward corrosion. In this study, we have employed diamond carbon coating over Ti-6Al-4V and Ti-13Nb-13Zr alloys using hot filament chemical vapor deposition method which is well-established coating process that significantly improves the resistance toward corrosion, wears and hardness. The diamond carbon-coated Ti-13Nb-13Zr alloy showed an increased microhardness in the range of 850 HV. Electrochemical impedance spectroscopy and polarization studies in SBF solution (simulated body fluid solution) were carried out to understand the in vitro behavior of uncoated as well as coated titanium alloys. The experimental results showed that the corrosion resistance of Ti-13Nb-13Zr alloy is relatively higher when compared with diamond carbon-coated Ti-6Al-4V alloys due to the presence of β phase in the Ti-13Nb-13Zr alloy. Electrochemical impedance results showed that the diamond carbon-coated alloys behave as an ideal capacitor in the body fluid solution. Moreover, the stability in mechanical properties during the corrosion process was maintained for diamond carbon-coated titanium alloys.

Layer Protecting the Surface of Zirconium Used in Nuclear Reactors.

PubMed

Ashcheulov, Petr; Skoda, Radek; Skarohlíd, Jan; Taylor, Andrew; Fendrych, Frantisek; Kratochvílová, Irena

2016-01-01

Zirconium alloys have very useful properties for nuclear facilities applications having low absorption cross-section of thermal electrons, high ductility, hardness and corrosion resistance. However, there is also a significant disadvantage: it reacts with water steam and during this (oxidative) reaction it releases hydrogen gas, which partly diffuses into the alloy forming zirconium hydrides. A new strategy for surface protection of zirconium alloys against undesirable oxidation in nuclear reactors by polycrystalline diamond film has been patented- Czech patent 305059: Layer protecting the surface of zirconium alloys used in nuclear reactors and PCT patent: Layer for protecting surface of zirconium alloys (Patent Number: WO2015039636-A1). The zirconium alloy surface was covered by polycrystalline diamond layer grown in plasma enhanced chemical vapor deposition apparatus with linear antenna delivery system. Substantial progress in the description and understanding of the polycrystalline diamond/ zirconium alloys interface and material properties under standard and nuclear reactors conditions (irradiation, hot steam oxidation experiments and heating-quenching cycles) was made. In addition, process technology for the deposition of protective polycrystalline diamond films onto the surface of zirconium alloys was optimized. Zircaloy2 nuclear fuel pins were covered by 300 nm thick protective polycrystalline diamond layer (PCD) using plasma enhanced chemical vapor deposition apparatus with linear antenna delivery system. The polycrystalline diamond layer protects the zirconium alloy surface against undesirable oxidation and consolidates its chemical stability while preserving its functionality. PCD covered Zircaloy2 and standard Zircaloy2 pins were for 30 min. oxidized in 1100°C hot steam. Under these conditions α phase of zirconium changes to β phase (more opened for oxygen/hydrogen diffusion). PCD anticorrosion protection of Zircaloy nuclear fuel assemblies can significantly prolong lifetime of Zirconium alloy in nuclear reactors even above Zirconium phase transition temperatures. Even after ion beam irradiation (10 dpa, 3 MeV Fe(2+)) the diamond film still shows satisfactory structural integrity with both sp(3) and sp(2) carbon phases. Zircaloy2 under the carbon-based protective layer after hot steam oxidation test differed from the original Zircaloy2 material composition only very slightly, proving that the diamond coating increases the material resistance to high temperature oxidation. Zirconium alloys nuclear fuel pins' surfaces were covered by compact and homogeneous polycrystalline diamond layers consisting of sp(3) and sp(2) carbon phases with a high crystalline diamond content and low roughness. Diamond withstands very high temperatures, has excellent thermal conductivity and low chemical reactivity, it does not degrade over time and (important for the nuclear fuel cladding) being pure carbon, it has perfect neutron cross-section properties. Moreover, polycrystalline diamond layers consisting of crystalline (sp(3)) and amorphous (sp(2)) carbon phases could have suitable thermal expansion. Zirconium alloys coated with polycrystalline diamond film are protected against undesirable changes and processes. Further, the polycrystalline diamond layer prevents the reaction between the alloy surface and water vapor. During such reaction, water molecules dissociate and initiate formation of zirconium dioxide and hydrogen, accompanied by the release of large amount of heat. Thus the protective layer prevents the formation of hydrogen and the release of reaction heat. Few relevant patents to the topic have been reviewed and cited.

Preliminary Material Properties Handbook. Volume 1: English Units

DTIC Science & Technology

2000-07-01

6-1 6.2 Iron- Chromium -Nickel-Base Alloys...titanium but is stabilized to room temperature by sufficient quantities of beta stabilizing elements as vanadium, molybdenum, iron, or chromium . In...Designation 6.2 6.3 6.3.1 6.3.2 6.3.3 6.3.4 6.3.5 6.4 6.5 6.5.1 Iron- Chromium -Nickel-Base Alloys Nickel-Base Alloys AEREX® 350 alloy HAYNES® 230® alloy

Method for improving the mechanical properties of uranium-1 to 3 wt % zirconium alloy

DOEpatents

Anderson, R.C.

1983-11-22

A uranium-1 to 3 wt % zirconium alloy characterized by high strength, high ductility and stable microstructure is fabricated by an improved thermal mechanical process. A homogenous ingot of the alloy which has been reduced in thickness of at least 50% in the two-step forging operation, rolled into a plate with a 75% reduction and then heated in vacuum at a temperature of about 750 to 850/sup 0/C and then quenched in water, is subjected to further thermal-mechanical operation steps to increase the compressive yield strength approximately 30%, stabilize the microstructure, and decrease the variations in mechanical properties throughout the plate is provided. These thermal-mechanical steps are achieved by cold rolling the quenchd plate to reduce the thickness thereof about 8 to 12%, aging the cold rolled plate at a first temperature of about 325 to 375/sup 0/C for five to six hours and then aging the plate at a higher temperature ranging from 480 to 500/sup 0/C for five to six hours prior to cooling the billet to ambient conditions and sizing the billet or plate into articles provides the desired increase in mechanical properties and phase stability throughout the plate.

Microstructure evolution and coercivity enhancement in Nd-Fe-B thin films diffusion-processed by R-Al alloys (R=Nd, Pr)

NASA Astrophysics Data System (ADS)

Xie, Yigao; Yang, Yang; Zhang, Tongbo; Fu, Yanqing; Jiang, Qingzheng; Ma, Shengcan; Zhong, Zhenchen; Cui, Weibin; Wang, Qiang

2018-05-01

Diffusion process by Nd-Al and Pr-Al alloys was compared and investigated in Nd-Fe-B thin films. Enhanced coercivity 2.06T and good squareness was obtained by using Pr85Al15 and Nd85Al15 alloys as diffusion sources. But the coercivity of diffusion-processed thin films by Pr70Al30 and Pr55Al45 alloys decreased to 2.04T and 1.82T. High ambient coercivity of 2.26T was achieved in diffusion-processed thin film by Nd70Al30 leading to an improved coercivity thermal stability because Nd2Fe14B grains were enveloped by Nd-rich phase as seen by transmission electron microscopy Nd-loss image. Meanwhile, microstructure-dependent parameters α and Neff were improved. However, high content of Al in diffusion-processed thin film by Nd55Al45 lead to degraded texture and coercivity.

Stability of (Fe-Tm-B) amorphous alloys: relaxation and crystallization phenomena

NASA Astrophysics Data System (ADS)

Zemčík, T.

1994-12-01

Fe-Tm-B base (TM=transition metal) amorphous alloys (metallic glasses) are thermodynamically metastable. This limits their use as otherwise favourable materials, e.g. magnetically soft, corrosion resistant and mechanically firm. By analogy of the mechanical strain-stress dependence, at a certain degree of thermal activation the amorphous structure reaches its limiting state where it changes its character and physical properties. Relaxation and early crystallization processes in amorphous alloys, starting already around 100°C, are reviewed involving subsequently stress relief, free volume shrinking, topological and chemical ordering, pre-crystallization phenomena up to partial (primary) crystallization. Two diametrically different examples are demonstrated from among the soft magnetic materials: relaxation and early crystallization processes in the Fe-Co-B metallic glasses and controlled crystallization of amorphous ribbons yielding rather modern nanocrystalline “Finemet” alloys where late relaxation and pre-crystallization phenomena overlap when forming extremely dispersive and fine-grained nanocrystals-in-amorphous-sauce structure. Mössbauer spectroscopy seems to be unique for magnetic and phase analysis of such complicated systems.

New interatomic potentials of W, Re and W-Re alloy for radiation defects

NASA Astrophysics Data System (ADS)

Chen, Yangchun; Li, Yu-Hao; Gao, Ning; Zhou, Hong-Bo; Hu, Wangyu; Lu, Guang-Hong; Gao, Fei; Deng, Huiqiu

2018-04-01

Tungsten (W) and W-based alloys have been considered as promising candidates for plasma-facing materials (PFMs) in future fusion reactors. The formation of rhenium (Re)-rich clusters and intermetallic phases due to high energy neutron irradiation and transmutations significantly induces the hardening and embrittlement of W. In order to better understand these phenomena, in the present work, new interatomic potentials of W-W, Re-Re and W-Re, suitable for description of radiation defects in such alloys, have been developed. The fitted potentials not only reproduce the results of the formation energy, binding energy and migration energy of various radiation defects and the physical properties from the extended database obtained from DFT calculations, but also predict well the relative stability of different interstitial dislocation loops in W, as reported in experiments. These potentials are applicable for describing the evolution of defects in W and W-Re alloys, thus providing a possibility for the detailed understanding of the precipitation mechanism of Re in W under irradiation.

Production and Precipitation Hardening of Beta-Type Ti-35Nb-10Cu Alloy Foam for Implant Applications

NASA Astrophysics Data System (ADS)

Mutlu, Ilven; Yeniyol, Sinem; Oktay, Enver

2016-04-01

In this study, beta-type Ti-35Nb-10Cu alloy foams were produced by powder metallurgy method for dental implant applications. 35% Nb was added to stabilize the beta-Ti phase with low Young's modulus. Cu addition enhanced sinterability and gave precipitation hardening capacity to the alloy. Sintered specimens were precipitation hardened in order to enhance the mechanical properties. Electrochemical corrosion behavior of the specimens was examined by electrochemical impedance spectroscopy in artificial saliva. Electrochemical impedance spectroscopy results indicated that the oxide film on the surface of foam is a bi-layer structure consisting of outer porous layer and inner barrier layer. Impedance values of barrier layer were higher than porous layer. Corrosion resistance of specimens decreased at high fluoride concentrations and at low pH of artificial saliva. Corrosion resistance of alloys was slightly decreased with aging. Mechanical properties, microstructure, and surface roughness of the specimens were also examined.

Effect of atomic order on the martensitic and magnetic transformations in Ni-Mn-Ga ferromagnetic shape memory alloys.

PubMed

Sánchez-Alarcos, V; Pérez-Landazábal, J I; Recarte, V; Rodríguez-Velamazán, J A; Chernenko, V A

2010-04-28

The influence of long-range L2(1) atomic order on the martensitic and magnetic transformations of Ni-Mn-Ga shape memory alloys has been investigated. In order to correlate the structural and magnetic transformation temperatures with the atomic order, calorimetric, magnetic and neutron diffraction measurements have been performed on polycrystalline and single-crystalline alloys subjected to different thermal treatments. It is found that both transformation temperatures increase with increasing atomic order, showing exactly the same linear dependence on the degree of L2(1) atomic order. A quantitative correlation between atomic order and transformation temperatures has been established, from which the effect of atomic order on the relative stability between the structural phases has been quantified. On the other hand, the kinetics of the post-quench ordering process taking place in these alloys has been studied. It is shown that the activation energy of the ordering process agrees quite well with the activation energy of the Mn self-diffusion process.

Facile synthesis of hollow dendritic Ag/Pt alloy nanoparticles for enhanced methanol oxidation efficiency.

PubMed

Sui, Ning; Wang, Ke; Shan, Xinyao; Bai, Qiang; Wang, Lina; Xiao, Hailian; Liu, Manhong; Colvin, Vicki L; Yu, William W

2017-11-14

Hollow dendritic Ag/Pt alloy nanoparticles were synthesized by a double template method: Ag nanoparticles as the hard template to obtain hollow spheres by a galvanic replacement reaction between PtCl 6 2- and metallic Ag and surfactant micelles (Brij58) as the soft template to generate porous dendrites. The formation of a Ag/Pt alloy phase was confirmed by XRD and HRTEM. Elemental mapping and line scanning revealed the formation of the hollow architecture. We studied the effects of the Ag/Pt ratio, surfactant and reaction temperature on the morphology. In addition, we explored the formation process of hollow dendritic Ag/Pt nanoparticles by tracking the morphologies of the nanostructures formed at different stages. In order to improve the electrocatalytic property, we controlled the size of the nanoparticles and the thickness of the shell by adjusting the amount of the precursor. We found that these Ag/Pt alloy nanoparticles exhibited high activity (440 mA mg -1 ) and stability as an electrocatalyst for catalyzing methanol oxidation.

Energetics analysis of interstitial loops in single-phase concentrated solid-solution alloys

NASA Astrophysics Data System (ADS)

Wang, Xin-Xin; Niu, Liang-Liang; Wang, Shaoqing

2018-04-01

Systematic energetics analysis on the shape preference, relative stability and radiation-induced segregation of interstitial loops in nickel-containing single-phase concentrated solid-solution alloys have been conducted using atomistic simulations. It is shown that the perfect loops prefer rhombus shape for its low potential energy, while the Frank faulted loops favor ellipse for its low potential energy and the possible large configurational entropy. The decrease of stacking fault energy with increasing compositional complexity provides the energetic driving force for the formation of faulted loops, which, in conjunction with the kinetic factors, explains the experimental observation that the fraction of faulted loops rises with increasing compositional complexity. Notably, the kinetics is primarily responsible for the absence of faulted loops in nickel-cobalt with a very low stacking fault energy. We further demonstrate that the simultaneous nickel enrichment and iron/chromium depletion on interstitial loops can be fully accounted for by their energetics.

Phase relations of Fe-Si-Ni alloys at core conditions: Implications for the Earth inner core

NASA Astrophysics Data System (ADS)

Fiquet, G.; Boulard, E.; Auzende, A.; Antonangeli, D.; Badro, J.; Morard, G.; Siebert, J.; Perrillat, J.; Mezouar, M.

2008-12-01

The Earth core consists of a liquid outer core and a solid inner core, which are believed to be made predominantly of iron (Fe). Among all crystallographic structures proposed, a consensus has more or less emerged with the hexagonal closed packed structure -hcp- for iron. The question of the structure of this alloy at core conditions, in particular in vicinity of the melting line is however still largely debated. Among others, a possible thermal and chemical stabilization of body-centered cubic iron in the Earth's core has indeed been proposed with the theoretical calculations of Vocadlo et al. [Nature, 424, 536, 2003]. Recent X-ray experiments have shown the existence of such a bcc structure above 220 GPa at high-temperature for iron- nickel alloys [Dubrovinsky et al., Science, 316, 1880, 2007]. It is also known from density systematics that the Earth's core is made of iron alloyed with light elements [see Poirier, Phys. Earth Planet. Int., 85, 319, 1994]. We recently proposed a compositional model for the Earth's inner core from a systematic study of the effect of light elements on sound velocities at high pressure. Our preferred core model is an inner core which contains 2.3 wt % silicon and traces of oxygen [see Badro et al., Earth Planet. Sci. Lett., 254, 233, 2007 for more details]. Recent studies, however, suggest that small amount of silicon or nickel can substantially affect the phase relations and thermodynamic properties of iron alloys. We present results from an X-ray diffraction carried out at ESRF at high-pressure and high-temperature, using a state-of-the-art double sided laser heating system. We address the question of the structure of this alloy at core conditions. Two different alloys have been synthesized for this experiment, with Fe : 92.4, Si : 3.7, Ni 3.9 and Fe: 88.4, Si: 7.3, Ni: 4.3 in wt %, so as to satisfy the core preferred compositional model described in Badro et al. [2007]. The samples were loaded in a diamond anvil cell with neon as pressure transmitting medium transmitting medium, and subsequently analyzed by diffraction collected on a CCD detector during laser-heating at pressure. Experiments were carried out between 20 and 200 GPa, and 1500-5000 K. Our results show an increase of the pressure transition from bcc to hcp with increasing silicon content, with much more precise pressure transitions than previously published. X-ray diffraction pattern contain fcc or hcp at high-temperature and high-pressure conditions. If an expansion of the fcc stability field is observed with increasing silicon and/or nickel content, our observations show a wide stability of hcp-iron alloys up to 200 GPa and high-temperature. These results are discussed in the light of recent experimental and theoretical investigations.

Controlling the formation and stability of ultra-thin nickel silicides - An alloying strategy for preventing agglomeration

NASA Astrophysics Data System (ADS)

Geenen, F. A.; van Stiphout, K.; Nanakoudis, A.; Bals, S.; Vantomme, A.; Jordan-Sweet, J.; Lavoie, C.; Detavernier, C.

2018-02-01

The electrical contact of the source and drain regions in state-of-the-art CMOS transistors is nowadays facilitated through NiSi, which is often alloyed with Pt in order to avoid morphological agglomeration of the silicide film. However, the solid-state reaction between as-deposited Ni and the Si substrate exhibits a peculiar change for as-deposited Ni films thinner than a critical thickness of tc = 5 nm. Whereas thicker films form polycrystalline NiSi upon annealing above 450 ° C , thinner films form epitaxial NiSi2 films that exhibit a high resistance toward agglomeration. For industrial applications, it is therefore of utmost importance to assess the critical thickness with high certainty and find novel methodologies to either increase or decrease its value, depending on the aimed silicide formation. This paper investigates Ni films between 0 and 15 nm initial thickness by use of "thickness gradients," which provide semi-continuous information on silicide formation and stability as a function of as-deposited layer thickness. The alloying of these Ni layers with 10% Al, Co, Ge, Pd, or Pt renders a significant change in the phase sequence as a function of thickness and dependent on the alloying element. The addition of these ternary impurities therefore changes the critical thickness tc. The results are discussed in the framework of classical nucleation theory.

Microstructural stability and thermomechanical processing of boron modified beta titanium alloys

NASA Astrophysics Data System (ADS)

Cherukuri, Balakrishna

One of the main objectives during primary processing of titanium alloys is to reduce the prior beta grain size. Producing an ingot with smaller prior beta grain size could potentially eliminate some primary processing steps and thus reduce processing cost. Trace additions of boron have been shown to decrease the as-cast grain size in alpha + beta titanium alloys. The primary focus of this dissertation is to investigate the effect of boron on microstructural stability and thermomechanical processing in beta titanium alloys. Two metastable beta titanium alloys: Ti-15Mo-2.6Nb-3Al-0.2Si (Beta21S) and Ti-5Al-5V-5Mo-3Cr (Ti5553) with 0.1 wt% B and without boron additions were used in this investigation. Significant grain refinement of the as-cast microstructure and precipitation of TiB whiskers along the grain boundaries was observed with boron additions. Beta21S and Beta21S-0.1B alloys were annealed above the beta transus temperature for different times to investigate the effect of boron on grain size stability. The TiB precipitates were very effective in restricting the beta grain boundary mobility by Zener pinning. A model has been developed to predict the maximum grain size as a function of TiB size, orientation, and volume fraction. Good agreement was obtained between model predictions and experimental results. Beta21S alloys were solution treated and aged for different times at several temperatures below the beta transus to study the kinetics of alpha precipitation. Though the TiB phase did not provide any additional nucleation sites for alpha precipitation, the grain refinement obtained by boron additions resulted in accelerated aging. An investigation of the thermomechanical processing behavior showed different deformation mechanisms above the beta transus temperature. The non-boron containing alloys showed a non-uniform and fine recrystallized necklace structure at grain boundaries whereas uniform intragranular recrystallization was observed in boron containing alloys. Micro-voids were observed at the ends of the TiB needles at high temperature, slow strain rates as a result of decohesion at the TiB/matrix interfaces. At low temperatures and faster strain rates micro voids were also formed due to fracture of TiB needles. Finite element analysis on void formation in TiB containing alloys were in agreement with experimental observations. Microhardness and tensile testing of as-cast + forged and aged Beta21S and Ti5553 alloys with and without boron did not show any significant differences in mechanical properties. The primary benefits of boron modified alloys are in as-cast condition.

Amorphous metal alloy and composite

DOEpatents

Wang, Rong; Merz, Martin D.

1985-01-01

Amorphous metal alloys of the iron-chromium and nickel-chromium type have excellent corrosion resistance and high temperature stability and are suitable for use as a protective coating on less corrosion resistant substrates. The alloys are stabilized in the amorphous state by one or more elements of titanium, zirconium, hafnium, niobium, tantalum, molybdenum, and tungsten. The alloy is preferably prepared by sputter deposition.

Local structure of the crystalline and amorphous states of Ga2Te3 phase-change alloy without resonant bonding: A combined x-ray absorption and ab initio study

NASA Astrophysics Data System (ADS)

Kolobov, A. V.; Fons, P.; Krbal, M.; Mitrofanov, K.; Tominaga, J.; Uruga, T.

2017-02-01

Phase-change memories are usually associated with GeTe-Sb2Te3 quasibinary alloys, where the large optical contrast between the crystalline and amorphous phases is attributed to the formation of resonant bonds in the crystalline phase, which has a rocksalt-like structure. The recent findings that tetrahedrally bonded Ga2Te3 possesses a similarly large property contrast and very low thermal conductivity in the crystalline phase and undergoes low-energy switching [H. Zhu et al., Appl. Phys. Lett. 97, 083504 (2010), 10.1063/1.3483762; K. Kurosaki et al., Appl. Phys. Lett. 93, 012101 (2008), 10.1063/1.2940591] challenge the existing paradigm. In this work we report on the local structure of the crystalline and amorphous phases of Ga2Te3 obtained from x-ray absorption measurements and ab initio simulations. Based on the obtained results, a model of phase change in Ga2Te3 is proposed. We argue that efficient switching in Ga2Te3 is due to the presence of primary and secondary bonding in the crystalline phase originating from the high concentration of Ga vacancies, whereas the structural stability of both phases is ensured by polyvalency of Te atoms due to the presence of lone-pair electrons and the formation of like-atom bonds in the amorphous phase.

Cellular solidification in a monotectic system

NASA Technical Reports Server (NTRS)

Kaukler, W. F.; Curreri, P. A.

1987-01-01

Succinonitrile-glycerol, SN-G, transparent organic monotectic alloy is studied with particular attention to cellular growth. The phase diagram is determined, near the monotectic composition, with greater accuracy than previous studies. A solidification interface stability diagram is determined for planar growth. The planar-to-cellular transition is compared to predictions from the Burton, Primm, Schlichter theory. A new technique to determine the solute segregation by Fourier transform infrared spectroscopy is developed. Proposed models that involve the cellular interface for alignment of monotectic second-phase spheres or rods are compared with observations.

Imparting passivity to vapor deposited magnesium alloys

NASA Astrophysics Data System (ADS)

Wolfe, Ryan C.

Magnesium has the lowest density of all structural metals. Utilization of low density materials is advantageous from a design standpoint, because lower weight translates into improved performance of engineered products (i.e., notebook computers are more portable, vehicles achieve better gas mileage, and aircraft can carry more payload). Despite their low density and high strength to weight ratio, however, the widespread implementation of magnesium alloys is currently hindered by their relatively poor corrosion resistance. The objective of this research dissertation is to develop a scientific basis for the creation of a corrosion resistant magnesium alloy. The corrosion resistance of magnesium alloys is affected by several interrelated factors. Among these are alloying, microstructure, impurities, galvanic corrosion effects, and service conditions, among others. Alloying and modification of the microstructure are primary approaches to controlling corrosion. Furthermore, nonequilibrium alloying of magnesium via physical vapor deposition allows for the formation of single-phase magnesium alloys with supersaturated concentrations of passivity-enhancing elements. The microstructure and surface morphology is also modifiable during physical vapor deposition through the variation of evaporation power, pressure, temperature, ion bombardment, and the source-to-substrate distance. Aluminum, titanium, yttrium, and zirconium were initially chosen as candidates likely to impart passivity on vapor deposited magnesium alloys. Prior to this research, alloys of this type have never before been produced, much less studied. All of these metals were observed to afford some degree of corrosion resistance to magnesium. Due to the especially promising results from nonequilibrium alloying of magnesium with yttrium and titanium, the ternary magnesium-yttrium-titanium system was investigated in depth. While all of the alloys are lustrous, surface morphology is observed under the scanning electron microscope. The corrosion rate of the nonequilibrium sputtered alloys, as determined by polarization resistance, is significantly reduced compared to the most corrosion resistant commercial magnesium alloys. The open circuit potentials of the sputter deposited alloys are significantly more noble compared to commercial, equilibrium phase magnesium alloys. Galvanic corrosion susceptibility has also been considerably reduced. Nonequilibrium magnesium-yttrium-titanium alloys have been shown to achieve passivity autonomously by alteration of the composition chemistry of the surface oxide/hydroxide layer. Self-healing properties are also evident, as corrosion propagation can be arrested after initial pitting of the material. A clear relationship exists between the corrosion resistance of sputter vapor deposited magnesium alloys and the amount of ion bombardment incurred by the alloy during deposition. Argon pressure, the distance between the source and the substrate, and alloy morphology play important roles in determining the ability of the alloy to develop a passive film. Thermal effects, both during and after alloy deposition, alter the stress state of the alloys, precipitation of second phases, and the mechanical stability of the passive film. An optimal thermal treatment has been developed in order to maximize the corrosion resistance of the magnesium-yttrium-titanium alloys. The significance of the results includes the acquisition of electrochemical data for these novel materials, as well as expanding the utilization of magnesium alloys by the improvement in their corrosion resistance. The magnesium alloys developed in this work are more corrosion resistant than any commercial magnesium alloy. Structural components comprised of these alloys would therefore exhibit unprecedented corrosion performance. Coatings of these alloys on magnesium components would provide a corrosion resistant yet galvanically-compatible coating. The broad impact of these contributions is that these new low-density, corrosion resistant magnesium alloys can be used to produce engineering components for vehicles that have greater acceleration, longer range, heavier payloads, lower life cycle costs, and longer inspection intervals.

The Effects of Applied Stress and Sensitization on the Passive Film Stability of Al-Mg Alloys

DTIC Science & Technology

2013-06-01

and residual tensile and compressive stresses impact the passive layer film and the material’s electrochemistry. Sample plates of AA5083 were...electrochemistry. Sample plates of AA5083 were sensitized to different levels to promote the formation of intergranular β phase (Al3Mg2). The...41  A.  MATERIAL PROCESSING: FABRICATION AND APPLIED STRESSES OF TEST SAMPLES

Phase diagram and polarization of stable phases of (Ga1- x In x )2O3

NASA Astrophysics Data System (ADS)

Maccioni, Maria Barbara; Fiorentini, Vincenzo

2016-04-01

The full phase diagram of (Ga1- x In x )2O3 is obtained theoretically. The phases competing for the ground state are monoclinic β (low x), hexagonal (x ˜ 0.5), and bixbyite (large x). Three disconnected mixing regions interlace with two distinct phase-separation regions, and at x ˜ 0.5, the coexistence of hexagonal and β alloys with phase-separated binary components is expected. We also explore the permanent polarization of the phases, but none of them are polar. On the other hand, we find that ɛ-Ga2O3, which was stabilized in recent experiments, is pyroelectric with a large polarization and piezoelectric coupling, and could be used to produce high-density electron gases at interfaces.

Assessment of Shape Memory Alloys - From Atoms To Actuators - Via In Situ Neutron Diffraction

NASA Technical Reports Server (NTRS)

Benafan, Othmane

2014-01-01

As shape memory alloys (SMAs) become an established actuator technology, it is important to identify the fundamental mechanisms responsible for their performance by understanding microstructure performance relationships from processing to final form. Yet, microstructural examination of SMAs at stress and temperature is often a challenge since structural changes occur with stress and temperature and microstructures cannot be preserved through quenching or after stress removal, as would be the case for conventional materials. One solution to this dilemma is in situ neutron diffraction, which has been applied to the investigation of SMAs and has offered a unique approach to reveal the fundamental micromechanics and microstructural aspects of bulk SMAs in a non-destructive setting. Through this technique, it is possible to directly correlate the micromechanical responses (e.g., internal residual stresses, lattice strains), microstructural evolutions (e.g., texture, defects) and phase transformation properties (e.g., phase fractions, kinetics) to the macroscopic actuator behavior. In this work, in situ neutron diffraction was systematically employed to evaluate the deformation and transformation behavior of SMAs under typical actuator conditions. Austenite and martensite phases, yield behavior, variant selection and transformation temperatures were characterized for a polycrystalline NiTi (49.9 at. Ni). As the alloy transforms under thermomechanical loading, the measured textures and lattice plane-level variations were directly related to the cyclic actuation-strain characteristics and the dimensional instability (strain ratcheting) commonly observed in this alloy. The effect of training on the shape memory characteristics of the alloy and the development of two-way shape memory effect (TWSME) were also assessed. The final conversion from a material to a useful actuator, typically termed shape setting, was also investigated in situ during constrained heatingcooling and subsequent shape recovery experiments. Neutron diffraction techniques are also being applied to the investigation of novel high temperature SMAs with the objective of designing alloys with better stability, higher transition temperatures and ultimately superior durability.

Effects of substrate microstructure on the formation of oriented oxide nanotube arrays on Ti and Ti alloys

NASA Astrophysics Data System (ADS)

Ferreira, C. P.; Gonçalves, M. C.; Caram, R.; Bertazzoli, R.; Rodrigues, C. A.

2013-11-01

The formation of nanotubular oxide layers on Ti and Ti alloys has been widely investigated for the photocatalytic degradation of organic compounds due to their excellent catalytic efficiency, chemical stability, and low cost and toxicity. Aiming to improve the photocatalytic efficiency of this nanostructured oxide, this work investigated the influence of substrate grain size on the growth of nanotubular oxide layers. Ti and Ti alloys (Ti-6Al, Ti-6Al-7Nb) were produced by arc melting with non-consumable tungsten electrode and water-cooled copper hearth under argon atmosphere. Some of the ingots were heat-treated at 1000 °C for 12 and 24 h in argon atmosphere, followed by slow cooling rates to reduce crystalline defects and increase the grain size of their microstructures. Three types of samples were anodized: commercial substrate, as-prepared and heat-treated samples. The anodization was performed using fluoride solution and a cell potential of 20 V. The samples were characterized by optical microscopy, field-emission scanning electron microscopy and X-ray diffraction. The heat treatment preceding the anodization process increased the grain size of pure Ti and Ti alloys and promoted the formation of Widmanstätten structures in Ti6Al7Nb. The nanotubes layers grown on smaller grain and thermally untreated samples were more regular and homogeneous. In the case of Ti-6Al-7Nb alloy, which presents a α + β phase microstructure, the morphology of nanotubes nucleated on α matrix was more regular than those of nanotubes nucleated on β phase. After the annealing process, the Ti-6Al-7Nb alloy presented full diffusion process and the growth of equilibrium phases resulting in the appearance of regions containing higher concentrations of Nb, i.e. beta phase. In those regions the dissolution rate of Nb2O5 is lower than that of TiO2, resulting in a nanoporous layer. In general, heat treating reduces crystalline defects and promotes the increasing of the grain sizes, not favoring the process of nanotube nucleation and growth on the metallic surface.

Materials Design for Joinable, High Performance Aluminum Alloys

NASA Astrophysics Data System (ADS)

Glamm, Ryan James

An aluminum alloy compatible with friction stir welding is designed for automotive and aerospace structural applications. Current weldable automotive aluminum alloys do not possess the necessary strength to meet safety standards and therefore are not able to replace steel in the automotive body. Significant weight savings could be achieved if steel components are replaced with aluminum. Current aerospace alloys are not weldable, requiring machining of large pieces that are then riveted together. If an aerospace alloy could be friction stir welded, smaller pieces could be welded, reducing material waste. Using a systems approach for materials design, property goals are set from performance objectives. From previous research and computational predictions, a structure is designed for a prototype alloy containing dynamic precipitates to readily dissolve and re-precipitate and high stability precipitates to resist dissolution and coarsening in the weld region. It is found that a Ag modified Al-3.9Mg-0.04Cu (at. %) alloy enhanced the rate and magnitude of hardening during ageing, both beneficial effects for dynamic precipitation. In the same alloy, ageing at 350°C results in hardening from Al 3(Sc,Zr) precipitates. Efforts to effectively precipitate both populations simultaneously are unsuccessful. The Al3(Sc,Zr) precipitation hardened prototype is friction stir processed and no weak zones are found in the weld hardness profile. An aerospace alloy design is proposed, utilizing the dual precipitate structure shown in the prototype. The automotive alloy is designed using a basic strength model with parameters determined from the initial prototype alloy analysis. After ageing to different conditions, the alloy is put through a simulated heat affected zone thermal cycle with a computer controlled induction heater. The aged samples lose hardness from the weld cycle but recover hardness from a post weld heat treatment. Atom probe tomography and transmission electron microscopy are used to characterize the composition, size, and phase fraction evolution for the automotive alloy strengthening precipitates. It is determined that the dominant precipitate at peak hardness is a metastable T' phase. The automotive alloy is friction stir processed and found to lose hardness in the heat affected zones surrounding the nugget. A post weld heat treatment nearly recovers the heat affected zones to base hardness. The post weld heat treatment is compatible with the current automotive paint bake step, showing design for processability. Tensile tests confirm the base alloy strength meets the automotive strength goal.

Effect of Al content on structure and mechanical properties of the Al{sub x}CrNbTiVZr (x = 0; 0.25; 0.5; 1) high-entropy alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yurchenko, N.Yu.

2016-11-15

In present study, structure and mechanical properties of the Al{sub x}CrNbTiVZr (x = 0; 0.25; 0.5; 1) high-entropy alloys after arc melting and annealing at 1200 °C for 24 h are investigated. The CrNbTiVZr alloy is composed of body centered cubic (bcc) and C15 (face centered cubic) Laves phases while the Al{sub x}CrNbTiVZr (x = 0.25; 0.5; 1) alloys consist of bcc and two C14 (hexagonal close packed) Laves phases with different chemical compositions. Thermodynamic modeling predicts existence of two phases – bcc and C15 Laves phase and broadening of single bcc phase field due to Al addition. The densitymore » of the alloys decreases with the increase of Al content. The alloys are found to be extremely brittle at room temperature and 600 °C. The alloys have high strength at temperatures of 800–1000 °C. For example, yield strength at 800 °C increases from 440 MPa for the CrNbTiVZr alloy to 1250 MPa for the AlCrNbTiVZr alloy. The experimental phase composition of the Al{sub x}CrNbTiVZr alloys is compared with predicted equilibrium phases and the factors governing the transformation of C15 to C14 Laves phases due to Al addition to the CrNbTiVZr alloy analyzed. Specific properties of the alloys are compared with other high-entropy alloys and commercial Ni-based superalloys. - Highlights: •Al{sub x}CrNbTiVZr (x = 0; 0.25; 0.5; 1) alloys are arc melted and annealed at 1200 °C. •The CrNbTiVZr alloy has bcc and C15 Laves phases. •The Al-containing alloys are composed of bcc and two C14 Laves phases. •The alloys demonstrate high specific strength at temperatures of 800 °C and 1000 °C. •The strength of the alloys increases in proportion with increase of Al content.« less

The Reactive Stabilisation of Aluminum-Zinc-X Foams via the Formation of a Transient Liquid Phase Using the Powder Metallurgy Approach

NASA Astrophysics Data System (ADS)

Lafrance, Maxime

During the past few decades, aluminum foam research has focused on the improvement of properties. These properties include pore structure and process reproducibility. High energy absorption capacity, lightweight and high stiffness to weight ratio are some of the properties that make these foams desirable for a number of diverse applications. The use of a transient liquid phase and melting point depressant was studied in order to improve aluminum foam manufactured through the powder metallurgy process and to create reactive Stabilisation. The transient liquid phase reacts with aluminum and helps encapsulate higher levels of hydrogen, simultaneously reducing the difference between the melting point of the alloy and the gas release temperature of the blowing agent (TiH2). A large difference is known to adversely affect foam properties. The study of pure aluminum foam formation was undertaken to understand the basic foaming mechanisms related to crack formations under in-situ conditions. Elemental zinc powder at various concentrations (Al-10wt%Zn, Al-33wt%Zn and Al-50wt%Zn) was added to produce a transient liquid phase. Subsequently, an Al-12wt%Si pre-alloyed powder was added to the Al-Zn mixture in order to further reduce the melting point of the alloy and to increase the amount of transient liquid phase available (Al-3.59wtSi-9.6%Zn and Al-2.4wt%Si-9.7wt%Zn). The mechanical properties of each system at optimal foaming conditions were assessed and compared. It was determined that pure aluminum foam crack formation could be suppressed at higher heating rates, improving the structure through the nucleation of uniform pores. The Al-10wt%Zn foams generated superior pore properties, post maximum expansion stability and mechanical properties at lower temperatures, compared to pure aluminum. The Al-Si-Zn foams revealed remarkable stability and pore structure at very low temperatures (640 to 660°C). Overall, the Al-10wt%Zn and Al-3.59wt%Si-9.6wt%Zn foams offer superior properties compared to pure aluminum.

Simulations of irradiated-enhanced segregation and phase separation in Fe-Cu-Mn alloys

NASA Astrophysics Data System (ADS)

Li, Boyan; Hu, Shenyang; Li, Chengliang; Li, Qiulin; Chen, Jun; Shu, Guogang; Henager, Chuck, Jr.; Weng, Yuqing; Xu, Ben; Liu, Wei

2017-09-01

For reactor pressure vessel steels, the addition of Cu, Mn, and Ni has a positive effect on their mechanical, corrosion and radiation resistance properties. However, experiments show that radiation-enhanced segregation and/or phase separation is one of the important material property degradation processes. In this work, we develop a model integrating rate theory and phase-field approaches to investigate the effect of irradiation on solute segregation and phase separation. The rate theory is used to describe the accumulation and clustering of radiation defects, while the phase-field approach describes the effect of radiation defects on phase stability and microstructure evolution. The Fe-Cu-Mn ternary alloy is taken as a model system. The free energies used in the phase-field model are from CALPHAD. Spatial dependent radiation damage from atomistic simulations is introduced into the simulation cell for a given radiation dose rate. The radiation effect on segregation and phase separation is taken into account through the defect concentration dependence of solute mobility. Using the model, the effect of temperature and radiation rates on Cu and Mn segregation and Cu-rich phase nucleation were systematically investigated. The segregation and nucleation mechanisms were analyzed. The simulations demonstrate that the nucleus of Cu precipitates has a core-shell composition profile, i.e. Cu-rich at the center and Mn-rich at the interface, in good agreement with theoretical calculations as well as experimental observations.

Icosahedral quasicrystalline (Ti₁.₆V₀.₄Ni)₁₀₀₋xScx alloys: Synthesis, structure and their application in Ni-MH batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, Wen; State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, CAS, Changchun 130022, Jilin; Yi, Jianhong

2013-06-01

Thanks to the revolutionary discovery of 5-fold symmetry contributed by Shechtman, quasicrystal is now recognized as another solid-state existing form. As the second largest class of quasicrystals, titanium-based icosahedral quasicrystals are very promising for hydrogen storage applications owing to their inherent abundant interstitial sites and favorable hydrogen-metal chemistry. In this context, (Ti₁.₆V₀.₄Ni)₁₀₀₋xScx (x=0.5–6) quaternary icosahedral quasicrystals have been successfully synthesized via arc-melting and subsequent melt-spinning techniques, and then their electrochemical performance toward hydrogen is explored. When the molar ratio of Sc addition is under 1%, a maximum discharge capacity of about 270 mA h g⁻¹ can be delivered. With furthermore » increasing Sc amount to 6%, good cycling stability as well as significantly retarded self-discharge rate (capacity retention 94% after 24 h relaxation) is observed. But meanwhile, the discharge capacities fall into 250-240 mA h g⁻¹, and the electrocatalytic activity improvement is highly demanded. - Graphical abstract: Quasicrystalline Ti–V–Ni–Sc hydrogen storage materials: Sc addition into Ti₁.₆V₀.₄Ni alloy forms the icosahedral phase (see picture). With optimal Sc dosage, the anodic cycling stability and self-discharge property are greatly enhanced. - Highlights: • Crystalline disallowed 5-fold symmetry is present in (Ti₁.₆V₀.₄Ni)₁₀₀₋xScx alloys. • Ti-based metastable quasicrystalline alloys can store hydrogen electrochemically. • A maximum discharge capacity of 270 mA h g⁻¹ can be delivered. • Advantageous cycle stability and self-discharge property benefit from Sc addition. • Ti and V dissolution is suppressed by an oxide layer resulting from Sc corrosion.« less

Structural transition and enhanced phase transition properties of Se doped Ge2Sb2Te5 alloys

NASA Astrophysics Data System (ADS)

Vinod, E. M.; Ramesh, K.; Sangunni, K. S.

2015-01-01

Amorphous Ge2Sb2Te5 (GST) alloy, upon heating crystallize to a metastable NaCl structure around 150°C and then to a stable hexagonal structure at high temperatures (>=250°C). It has been generally understood that the phase change takes place between amorphous and the metastable NaCl structure and not between the amorphous and the stable hexagonal phase. In the present work, it is observed that the thermally evaporated (GST)1-xSex thin films (0 <= x <= 0.50) crystallize directly to the stable hexagonal structure for x >= 0.10, when annealed at temperatures >= 150°C. The intermediate NaCl structure has been observed only for x < 0.10. Chemically ordered network of GST is largely modified for x >= 0.10. Resistance, thermal stability and threshold voltage of the films are found to increase with the increase of Se. The contrast in electrical resistivity between the amorphous and crystalline phases is about 6 orders of magnitude. The increase in Se shifts the absorption edge to lower wavelength and the band gap widens from 0.63 to 1.05 eV. Higher resistance ratio, higher crystallization temperature, direct transition to the stable phase indicate that (GST)1-xSex films are better candidates for phase change memory applications.

First-Principles Study of Thermodynamic and Magnetic Properties of Alloys

NASA Astrophysics Data System (ADS)

Zhuravlev, Ivan

The standard theoretical framework for predicting phase diagrams and other thermodynamic properties of alloys requires an adequate representation of the formation enthalpy. An important part of the formation enthalpy in size-mismatched alloys comes from atomic relaxations. The harmonic Kanzaki-Krivoglaz-Khachaturyan model of strain-induced interaction is generalized to concentrated size-mismatched alloys and adapted to first-principles calculations. The configuration dependence of both Kanzaki forces and force constants is represented by real-space cluster expansions that can be constructed based on the calculated forces. Developed configuration-dependent lattice deformation model is implemented for the fcc lattice and applied to Cu1-x Aux and Fe1-x Ptx alloys for concentrations x = 0.25, 0.5, and 0.75. The model is further adapted to concentration wave analysis and Monte Carlo. Good agreement with experiment is found for all systems except CuAu3 and FePt3. The structural and ordering energetics are studied in Au-Fe alloys by combining DFT calculations with effective Hamiltonian techniques: a cluster expansion with structural filters, and CLDM. The phase separation tendency in Au-Fe persists even if the fcc-bcc decomposition is suppressed. The relative stability of disordered bcc and fcc phases observed in nanoparticles is reproduced, but the fully ordered L10 AuFe, L12 Au3Fe, and L1 2 AuFe3 structures are unstable in DFT. Effects of magnetism on the chemical ordering are also discussed. Magnetocrystalline anisotropy is one of the key properties of a magnetic material. Understanding of its temperature and concentration dependence is a challenging theoretical problem with implications for the design of better materials for permanent magnets and other applications. The origins of the anomalous temperature dependence of magnetocrystalline anisotropy in (Fe 1-xCox)2B alloys are elucidated using first-principles calculations within the disordered local moment model. Excellent agreement with experimental data is obtained. Electronic structure calculations are used to examine the magnetic properties of Fe2P-based alloys and the mechanisms through which the Curie temperature and magnetocrystalline anisotropy can be optimized for specific applications. It is found that at elevated temperatures the magnetic interaction in pure Fe2P develops a pronounced two-dimensional character. Co-alloying of Fe2P with Co (or Ni) and Si is suggested as a strategy for maximizing the magnetocrystalline anisotropy above room temperature.

Transparent metal model study of the use of a cellular growth front to form aligned monotectic composite materials

NASA Technical Reports Server (NTRS)

Kaukler, William F.

1988-01-01

The purpose of this work was to resolve a scientific controversy in the understanding of how second phase particles become aligned during unidirectional growth of a monotectic alloy. A second aspect was to make the first systematic observations of the solidification behavior of a monotectic alloy during cellular growth in-situ. This research provides the first systematic transparent model study of cellular solidification. An interface stability diagram was developed for the planar to cellular transition of the succinonitrile glycerol (SNG) system. A method was developed utilizing Fourier Transform Infrared Spectroscopy which allows quantitative compositional analysis of directionally solidified SNG along the growth axis. To determine the influence of cellular growth front on alignment for directionally solidified monotectic alloys, the planar and cellular growth morphology was observed in-situ for SNG between 8 and 17 percent glycerol and for a range of over two orders of magnitude G/R.

The structural properties of InGaN alloys and the interdependence on the thermoelectric behavior

NASA Astrophysics Data System (ADS)

Kucukgok, Bahadir; Wu, Xuewang; Wang, Xiaojia; Liu, Zhiqiang; Ferguson, Ian T.; Lu, Na

2016-02-01

The III-Nitrides are promising candidate for high efficiency thermoelectric (TE) materials and devices due to their unique features which includes high thermal stability. A systematic study of the room temperature TE properties of metalorganic chemical vapor deposition grown InxGa1-xN were investigated for x = 0.07 to 0.24. This paper investigated the role of indium composition on the TE properties of InGaN alloys in particular the structural properties for homogenous material that did not show significant phase separation. The highest Seebeck and power factor values of 507 μV K-1 and 21.84 × 10-4 Wm-1K-1 were observed, respectively for In0.07Ga0.93N at room temperature. The highest value of figure-of-merit (ZT) was calculated to be 0.072 for In0.20Ga0.80N alloy at room temperature.

Design of Fatigue Resistant Heusler-strengthened PdTi-based Shape Memory Alloys for Biomedical Applications

NASA Astrophysics Data System (ADS)

Frankel, Dana J.

The development of non-surgical transcatheter aortic valve implantation (TAVI) techniques, which utilize collapsible artificial heart valves with shape memory alloy (SMA)-based frames, pushes performance requirements for biomedical SMAs beyond those for well-established vascular stent applications. Fatigue life for these devices must extend into the ultra-high cycle fatigue (UHCF) regime (>600M cycles) with zero probability of failure predicted at applied strain levels. High rates of Ni-hypersensitivity raise biocompatibility concerns, driving the development of low-Ni and Ni-free SMAs. This work focuses on the development of biocompatible, precipitation-strengthened, fatigue-resistant PdTi-based SMAs for biomedical applications. Functional and structural fatigue are both manifestations of cyclic instability resulting in accumulation of slip and eventual structural damage. While functional fatigue is easily experimentally evaluated, structural fatigue is more difficult to measure without the proper equipment. Therefore, in this work a theoretical approach using a model well validated in steels is utilized to investigate structural fatigue behavior in NiTi in the UHCF regime, while low cycle functional fatigue is evaluated in order to monitor the core phenomena of the cyclic instability. Results from fatigue simulations modeling crack nucleation at non-metallic inclusions in commercial NiTi underscore the importance of increasing yield strength for UHCF performance. Controlled precipitation of nanoscale, low-misfit, L21 Heusler aluminides can provide effective strengthening. Phase relations, precipitation kinetics, transformation temperature, transformation strain, cyclic stability, and mechanical properties are characterized in both Ni-free (Pd,Fe)(Ti,Al) and low-Ni high-strength "hybrid" (Pd,Ni)(Ti,Zr,Al) systems. Atom probe tomography is employed to measure phase compositions and particle sizes used to calibrate LSW models for coarsening kinetics and Gibbs-Thompson models for composition trajectories for systems under evolving unstable equilibrium. Mechanical and thermal cyclic stability are investigated using compression testing and differential scanning calorimetry. Mechanical properties are characterized using room temperature and high temperature Vickers microhardness as well as nanoindentation. A superelastic Ni-free (Pd,Fe)(Ti,Al) alloy with near-ambient transformation temperatures, low hysteresis, a highly stable cyclic response, and reversible transformation strains of 3.2% was designed. Due to Pd softening, the addition of Zr is considered to improve strength in a low-Ni "hybrid" (Pd,Ni)(Ti,Zr,Al) alloy. Aging studies at 600°C result in unusually fast coarsening kinetics, while low-temperature aging studies at 500-530°C reveal the presence of a Zr-rich phase in association with the matrix and Heusler phase. A strengthening study on a nontransforming hybrid prototype shows lower than expected precipitation strengthening at 600°C but significant strengthening when aged at 500°C due to the Zr-rich phase. Transformation temperatures, transformation strain, and cyclic stability are characterized in a set of transforming hybrid prototypes.

Magnetism and electronic structure of CoFeCrX (X = Si, Ge) Heusler alloys

NASA Astrophysics Data System (ADS)

Jin, Y.; Kharel, P.; Lukashev, P.; Valloppilly, S.; Staten, B.; Herran, J.; Tutic, I.; Mitrakumar, M.; Bhusal, B.; O'Connell, A.; Yang, K.; Huh, Y.; Skomski, R.; Sellmyer, D. J.

2016-08-01

The structural, electronic, and magnetic properties of CoFeCrX (X = Si, Ge) Heusler alloys have been investigated. Experimentally, the alloys were synthesized in the cubic L21 structure with small disorder. The cubic phase of CoFeCrSi was found to be highly stable against heat treatment, but CoFeCrGe disintegrated into other new compounds when the temperature reached 402 °C (675 K). Although the first-principle calculation predicted the possibility of tetragonal phase in CoFeCrGe, the tetragonal phase could not be stabilized experimentally. Both CoFeCrSi and CoFeCrGe compounds showed ferrimagnetic spin order at room temperature and have Curie temperatures (TC) significantly above room temperature. The measured TC for CoFeCrSi is 790 K but that of CoFeCrGe could not be measured due to its dissociation into new compounds at 675 K. The saturation magnetizations of CoFeCrSi and CoFeCrGe are 2.82 μB/f.u. and 2.78 μB/f.u., respectively, which are close to the theoretically predicted value of 3 μB/f.u. for their half-metallic phases. The calculated band gaps for CoFeCrSi and CoFeCrGe are, respectively, 1 eV and 0.5 eV. These materials have potential for spintronic device applications, as they exhibit half-metallic electronic structures with large band gaps, and Curie temperatures significantly above room temperature.

Corrosion behavior and cytocompatibility of fluoride-incorporated plasma electrolytic oxidation coating on biodegradable AZ31 alloy

PubMed Central

Tian, Peng; Peng, Feng; Wang, Donghui; Liu, Xuanyong

2017-01-01

Fluoride-incorporated plasma electrolytic oxidation (PEO) coating was fabricated on biodegradable AZ31 alloy. The surface morphologies and phases were investigated by scanning electron microscopy and X-ray diffraction. The effect of fluoride incorporation in coatings on corrosion behaviour was investigated in simulated body fluid and in vitro cytocompatibility of the coatings was also studied by evaluating cytotoxicity, adhesion, proliferation and live–dead stain of osteoblast cells (MC3T3-E1). Furthermore, the corrosion morphologies in vivo were examined. The results showed that the fluoride could be incorporated into the coating to form MgF2 phase. In vitro and in vivo degradation tests revealed that the corrosion resistance of the coating could be improved by the incorporation of fluoride, which may attribute to the chemical stability of MgF2 phase. Moreover, good cytocompatibility of fluoride-incorporated coating was confirmed with no obvious cytotoxicity, enhanced cell adhesion and proliferation. However, when the fluoride content was high, a slight inhibition of cell growth was observed. The results indicate that although fluoride incorporation can enhance the corrosion resistance of the coatings, thus resulting a more suitable environment for cells, the high content of fluoride in the coating also kill cells ascribed to the high released of fluorine. If the content of fluoride is well controlled, the PEO coating with MgF2 phase is a promising surface modification of Mg alloys. PMID:28149524

Corrosion behavior and cytocompatibility of fluoride-incorporated plasma electrolytic oxidation coating on biodegradable AZ31 alloy.

PubMed

Tian, Peng; Peng, Feng; Wang, Donghui; Liu, Xuanyong

2017-02-01

Fluoride-incorporated plasma electrolytic oxidation (PEO) coating was fabricated on biodegradable AZ31 alloy. The surface morphologies and phases were investigated by scanning electron microscopy and X-ray diffraction. The effect of fluoride incorporation in coatings on corrosion behaviour was investigated in simulated body fluid and in vitro cytocompatibility of the coatings was also studied by evaluating cytotoxicity, adhesion, proliferation and live-dead stain of osteoblast cells (MC3T3-E1). Furthermore, the corrosion morphologies in vivo were examined. The results showed that the fluoride could be incorporated into the coating to form MgF 2 phase. In vitro and in vivo degradation tests revealed that the corrosion resistance of the coating could be improved by the incorporation of fluoride, which may attribute to the chemical stability of MgF 2 phase. Moreover, good cytocompatibility of fluoride-incorporated coating was confirmed with no obvious cytotoxicity, enhanced cell adhesion and proliferation. However, when the fluoride content was high, a slight inhibition of cell growth was observed. The results indicate that although fluoride incorporation can enhance the corrosion resistance of the coatings, thus resulting a more suitable environment for cells, the high content of fluoride in the coating also kill cells ascribed to the high released of fluorine. If the content of fluoride is well controlled, the PEO coating with MgF 2 phase is a promising surface modification of Mg alloys.

Comparison of orthorhombic and alpha-two titanium aluminides as matrices for continuous SiC-reinforced composites

NASA Astrophysics Data System (ADS)

Smith, P. R.; Graves, J. A.; Rhodes, Cg.

1994-06-01

The attributes of an orthorhombic Ti aluminide alloy, Ti-21Al-22Nb (at. pct), and an alpha-two Ti aluminide alloy, Ti-24Al-11Nb (at. pct), for use as a matrix with continuous SiC (SCS-6) fiber reinforcement have been compared. Foil-fiber-foil processing was used to produce both unreinforced (“neat”) and unidirectional “SCS-6” reinforced panels. Microstructure of the Ti-24A1-11Nb matrix consisted of ordered Ti3Al ( α 2) + disordered beta (β), while the Ti-21 Al-22Nb matrix contained three phases: α2, ordered beta ( β 0), and ordered orthorhombic (O). Fiber/ matrix interface reaction zone growth kinetics at 982 °C were examined for each composite system. Although both systems exhibited similar interface reaction products (i.e., mixed Ti carbides, silicides, and Ti-Al carbides), growth kinetics in the α 2 + β matrix composite were much more rapid than in the O + β 0 + α 2 matrix composite. Additionally, interfacial reaction in the α 2 + β} composite resulted in a relatively large brittle matrix zone, depleted of beta phase, which was not present in the O + β 0+ α 2 matrix composite. Mechanical property measurements included room and elevated temperature tensile, thermal stability, thermal fatigue, thermo-mechanical fatigue (TMF), and creep. The three-phase orthorhombic-based alloy outperformed the α2+ β alloy in all of these mechanical behavioral areas, on both an absolute and a specific (i.e., density corrected) basis.

Electrum, the Gold-Silver Alloy, from the Bulk Scale to the Nanoscale: Synthesis, Properties, and Segregation Rules.

PubMed

Guisbiers, Grégory; Mendoza-Cruz, Rubén; Bazán-Díaz, Lourdes; Velázquez-Salazar, J Jesús; Mendoza-Perez, Rafael; Robledo-Torres, José Antonio; Rodriguez-Lopez, José-Luis; Montejano-Carrizales, Juan Martín; Whetten, Robert L; José-Yacamán, Miguel

2016-01-26

The alloy Au-Ag system is an important noble bimetallic phase, both historically (as "Electrum") and now especially in nanotechnology, as it is applied in catalysis and nanomedicine. To comprehend the structural characteristics and the thermodynamic stability of this alloy, a knowledge of its phase diagram is required that considers explicitly its size and shape (morphology) dependence. However, as the experimental determination remains quite challenging at the nanoscale, theoretical guidance can provide significant advantages. Using a regular solution model within a nanothermodynamic approach to evaluate the size effect on all the parameters (melting temperature, melting enthalpy, and interaction parameters in both phases), the nanophase diagram is predicted. Besides an overall shift downward, there is a "tilting" effect on the solidus-liquidus curves for some particular shapes exposing the (100) and (110) facets (cube, rhombic dodecahedron, and cuboctahedron). The segregation calculation reveals the preferential presence of silver at the surface for all the polyhedral shapes considered, in excellent agreement with the latest transmission electron microscopy observations and energy dispersive spectroscopy analysis. By reviewing the nature of the surface segregated element of different bimetallic nanoalloys, two surface segregation rules, based on the melting temperatures and surface energies, are deduced. Finally, the optical properties of Au-Ag nanoparticles, calculated within the discrete dipole approximation, show the control that can be achieved in the tuning of the local surface plasmon resonance, depending of the alloy content, the chemical ordering, the morphology, the size of the nanoparticle, and the nature of the surrounding environment.

Beating Homogeneous Nucleation and Tuning Atomic Ordering in Glass-Forming Metals by Nanocalorimetry.

PubMed

Zhao, Bingge; Yang, Bin; Abyzov, Alexander S; Schmelzer, Jürn W P; Rodríguez-Viejo, Javier; Zhai, Qijie; Schick, Christoph; Gao, Yulai

2017-12-13

In this paper, the amorphous Ce 68 Al 10 Cu 20 Co 2 (atom %) alloy was in situ prepared by nanocalorimetry. The high cooling and heating rates accessible with this technique facilitate the suppression of crystallization on cooling and the identification of homogeneous nucleation. Different from the generally accepted notion that metallic glasses form just by avoiding crystallization, the role of nucleation and growth in the crystallization behavior of amorphous alloys is specified, allowing an access to the ideal metallic glass free of nuclei. Local atomic configurations are fundamentally significant to unravel the glass forming ability (GFA) and phase transitions in metallic glasses. For this reason, isothermal annealing near T g from 0.001 s to 25,000 s following quenching becomes the strategy to tune local atomic configurations and facilitate an amorphous alloy, a mixed glassy-nanocrystalline state, and a crystalline sample successively. On the basis of the evolution of crystallization enthalpy and overall latent heat on reheating, we quantify the underlying mechanism for the isothermal nucleation and crystallization of amorphous alloys. With Johnson-Mehl-Avrami method, it is demonstrated that the coexistence of homogeneous and heterogeneous nucleation contributes to the isothermal crystallization of glass. Heterogeneous rather than homogeneous nucleation dominates the isothermal crystallization of the undercooled liquid. For the mixed glassy-nanocrystalline structure, an extraordinary kinetic stability of the residual glass is validated, which is ascribed to the denser packed interface between amorphous phase and ordered nanocrystals. Tailoring the amorphous structure by nanocalorimetry permits new insights into unraveling GFA and the mechanism that correlates local atomic configurations and phase transitions in metallic glasses.

Enhanced thermal stability of Cu alloy films by strong interaction between Ni and Zr (or Fe)

NASA Astrophysics Data System (ADS)

Zheng, Yuehong; Li, Xiaona; Cheng, Xiaotian; Li, Zhuming; Liu, Yubo; Dong, Chuang

2018-04-01

Low resistivity, phase stability and nonreactivity with surrounding dielectrics are the key to the application of Cu to ultra-large-scale integrated circuits. Here, a stable solid solution cluster model was introduced to design the composition of barrierless Cu-Ni-Zr (or Fe) seed layers. The third elements Fe and Zr were dissolved into Cu via a second element Ni, which is soluble in both Cu and Zr (or Fe). The films were prepared by magnetron sputtering on the single-crystal p-Si (1 0 0) wafers. Since the diffusion characteristics of the alloying elements are different, the effects of the strong interaction between Ni and Zr (or Fe) on the film’s stability and resistivity were studied. The results showed that a proper addition of Zr-Ni (Zr/Ni  ⩽  0.6/12) into Cu could form a large negative lattice distortion, which inhibits Cu-Si interdiffusion and enhances the stability of Cu film. When Fe-Ni was co-added into Cu, the lattice distortion of Cu reached a lower value, 0.0029 Å  ⩽  |Δa|  ⩽  0.0046 Å, and the films showed poor stability. Therefore, when the model is applied to the composition design of the films, the strong interaction between the elements and the addition ratio should be taken into consideration.

Effect of Iron Impurity on the Phase Composition, Structure and Properties of Magnesium Alloys Containing Manganese and Aluminum

NASA Astrophysics Data System (ADS)

Volkova, E. F.

2017-07-01

Results of a study of the interaction between iron impurity and manganese and aluminum alloying elements during formation of phase composition in alloys of the Mg - Mn, Mg - Al, Mg - Al - Mn, and Mg - Al - Zn - Mn systems are presented. It is proved that this interaction results in introduction of Fe into the intermetallic phase. The phase compositions of model magnesium alloys and commercial alloys MA2-1 and MA5 are studied. It is shown that both manganese and aluminum may bind the iron impurity into phases. Composite Fe-containing intermetallic phases of different compositions influence differently the corrosion resistance of magnesium alloys.

Dense and high-stability Ti2AlN MAX phase coatings prepared by the combined cathodic arc/sputter technique

NASA Astrophysics Data System (ADS)

Wang, Zhenyu; Liu, Jingzhou; Wang, Li; Li, Xiaowei; Ke, Peiling; Wang, Aiying

2017-02-01

Ti2AlN belongs to a family of ternary nano-laminate alloys known as the MAX phases, which exhibit a unique combination of metallic and ceramic properties. In the present work, the dense and high-stability Ti2AlN coating has been successfully prepared through the combined cathodic arc/sputter deposition, followed by heat post-treatment. It was found that the as-deposited Ti-Al-N coating behaved a multilayer structure, where (Ti, N)-rich layer and Al-rich layer grew alternately, with a mixed phase constitution of TiN and TiAlx. After annealing at 800 °C under vacuum condition for 1.5 h, although the multilayer structure still was found, part of multilayer interfaces became indistinct and disappeared. In particular, the thickness of the Al-rich layer decreased in contrast to that of as-deposited coating due to the inner diffusion of the Al element. Moreover, the Ti2AlN MAX phase emerged as the major phase in the annealed coatings and its formation mechanism was also discussed in this study. The vacuum thermal analysis indicated that the formed Ti2AlN MAX phase exhibited a high-stability, which was mainly benefited from the large thickness and the dense structure. This advanced technique based on the combined cathodic arc/sputter method could be extended to deposit other MAX phase coatings with tailored high performance like good thermal stability, high corrosion and oxidation resistance etc. for the next protective coating materials.

Phase stability in thermally-aged CASS CF8 under heavy ion irradiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Meimei; Miller, Michael K.; Chen, Wei-Ying

2015-07-01

The stability of the microstructure of a cast austenitic stainless steel (CASS), before and after heavy ion irradiation, was investigated by atom probe tomography (APT). A CF8 ferrite–austenite duplex alloy was thermally aged at 400 °C for 10,000 h. After this treatment, APT revealed nanometer-sized G-phase precipitates and Fe-rich α and Cr-enriched α' phase separated regions in the ferrite. The thermally-aged CF8 specimen was irradiated with 1 MeV Kr ions to a fluence of 1.88 × 10 19 ions/m 2 at 400 °C. After irradiation, APT analysis revealed a strong spatial/dose dependence of the G-phase precipitates and the α–α' spinodalmore » decomposition in the ferrite. For the G-phase precipitates, the number density increased and the mean size decreased with increasing dose, and the particle size distribution changed considerably under irradiation. The inverse coarsening process can be described by recoil resolution. The amplitude of the α–α' spinodal decomposition in the ferrite was apparently reduced after heavy ion irradiation.« less

Effects of cobalt in nickel-base superalloys

NASA Technical Reports Server (NTRS)

Tien, J. K.; Jarrett, R. N.

1983-01-01

The role of cobalt in a representative wrought nickel-base superalloy was determined. The results show cobalt affecting the solubility of elements in the gamma matrix, resulting in enhanced gamma' volume fraction, in the stabilization of MC-type carbides, and in the stabilization of sigma phase. In the particular alloy studied, these microstructural and microchemistry changes are insufficient in extent to impact on tensile strength, yield strength, and in the ductilities. Depending on the heat treatment, creep and stress rupture resistance can be cobalt sensitive. In the coarse grain, fully solutioned and aged condition, all of the alloy's 17% cobalt can be replaced by nickel without deleteriously affecting this resistance. In the fine grain, partially solutioned and aged condition, this resistance is deleteriously affected only when one-half or more of the initial cobalt content is removed. The structure and property results are discussed with respect to existing theories and with respect to other recent and earlier findings on the impact of cobalt, if any, on the performance of nickel-base superalloys.

A high-stability non-contact dilatometer for low-amplitude temperature-modulated measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luckabauer, Martin; Sprengel, Wolfgang; Würschum, Roland

2016-07-15

Temperature modulated thermophysical measurements can deliver valuable insights into the phase transformation behavior of many different materials. While especially for non-metallic systems at low temperatures numerous powerful methods exist, no high-temperature device suitable for modulated measurements of bulk metallic alloy samples is available for routine use. In this work a dilatometer for temperature modulated isothermal and non-isothermal measurements in the temperature range from room temperature to 1300 K is presented. The length measuring system is based on a two-beam Michelson laser interferometer with an incremental resolution of 20 pm. The non-contact measurement principle allows for resolving sinusoidal length change signalsmore » with amplitudes in the sub-500 nm range and physically decouples the length measuring system from the temperature modulation and heating control. To demonstrate the low-amplitude capabilities, results for the thermal expansion of nickel for two different modulation frequencies are presented. These results prove that the novel method can be used to routinely resolve length-change signals of metallic samples with temperature amplitudes well below 1 K. This high resolution in combination with the non-contact measurement principle significantly extends the application range of modulated dilatometry towards high-stability phase transformation measurements on complex alloys.« less

In Situ Synchrotron Radiation X-ray Diffraction Study on Phase and Oxide Growth during a High Temperature Cycle of a NiTi-20 at.% Zr High Temperature Shape Memory Alloy

NASA Astrophysics Data System (ADS)

Carl, Matthew; Van Doren, Brian; Young, Marcus L.

2018-03-01

Ternary additions to binary NiTi shape memory alloys are known to significantly affect the characteristic martensite-to-austenite phase transformation, i.e., decrease or increase transformation temperatures. High temperature shape memory alloys can be created by adding Au, Pt, Pd, Hf, or Zr to binary NiTi in appropriate amounts; however, the majority of these ternary additions are exceedingly expensive, unfortunately making them impractical for most commercial applications. Zr is the exception of the group, but it is often disregarded because of its poor workability and thermal stability. In an effort to find a temperature range that allows for the potential workability of NiTiZr alloys in normal atmosphere environments and to gain understanding as to the cause of failure during processing, a NiTi-20 at.% Zr was subjected to a thermal cycle ranging from RT to 1000 °C with short 15 min holds at select temperatures during both heating and cooling while simultaneously collecting high-energy synchrotron radiation X-ray diffraction measurements. This study provides valuable insight into the kinetics of precipitation and oxide formation and its relationship to processing. In addition, scanning electron microscopy was performed on five samples, each isothermally held to examine precipitation and oxide structure and growth.

In Situ Synchrotron Radiation X-ray Diffraction Study on Phase and Oxide Growth during a High Temperature Cycle of a NiTi-20 at.% Zr High Temperature Shape Memory Alloy

NASA Astrophysics Data System (ADS)

Carl, Matthew; Van Doren, Brian; Young, Marcus L.

2018-02-01

Ternary additions to binary NiTi shape memory alloys are known to significantly affect the characteristic martensite-to-austenite phase transformation, i.e., decrease or increase transformation temperatures. High temperature shape memory alloys can be created by adding Au, Pt, Pd, Hf, or Zr to binary NiTi in appropriate amounts; however, the majority of these ternary additions are exceedingly expensive, unfortunately making them impractical for most commercial applications. Zr is the exception of the group, but it is often disregarded because of its poor workability and thermal stability. In an effort to find a temperature range that allows for the potential workability of NiTiZr alloys in normal atmosphere environments and to gain understanding as to the cause of failure during processing, a NiTi-20 at.% Zr was subjected to a thermal cycle ranging from RT to 1000 °C with short 15 min holds at select temperatures during both heating and cooling while simultaneously collecting high-energy synchrotron radiation X-ray diffraction measurements. This study provides valuable insight into the kinetics of precipitation and oxide formation and its relationship to processing. In addition, scanning electron microscopy was performed on five samples, each isothermally held to examine precipitation and oxide structure and growth.

Interpreting the Combustion Process for High-Performance ZrNiSn Thermoelectric Materials.

PubMed

Hu, Tiezheng; Yang, Dongwang; Su, Xianli; Yan, Yonggao; You, Yonghui; Liu, Wei; Uher, Ctirad; Tang, Xinfeng

2018-01-10

The ZrNiSn alloy, a member of the half-Heusler family of thermoelectric materials, shows great potential for mid-to-high-temperature power generation applications due to its excellent thermoelectric properties, robust mechanical properties, and good thermal stability. The existing synthesis processes of half-Heusler alloys are, however, rather time and energy intensive. In this study, single-phase ZrNiSn bulk materials were prepared by self-propagating high-temperature synthesis (SHS) combined with spark plasma sintering (SPS) for the first time. The analysis of thermodynamic and kinetic processes shows that the SHS reaction in the ternary ZrNiSn alloy is different from the more usual binary systems. It consists of a series of SHS reactions and mass transfers triggered by the SHS fusion of the binary Ni-Sn system that eventually culminates in the formation of single-phase ternary ZrNiSn in a very short time, which reduced the synthesis period from few days to less than an hour. Moreover, the nonequilibrium feature induces Ni interstitials in the structure, which simultaneously enhances the electrical conductivity and decreases the thermal conductivity, which is favorable for thermoelectric properties. The maximum thermoelectric figure of merit ZT of the SHS + SPS-processed ZrNiSn 1-x Sb x alloy reached 0.7 at 870 K. This study opens a new avenue for the fast and low-cost fabrication of half-Heusler thermoelectric materials.

The effects of thermomechanical processing and annealing on the microstructural evolution and stress corrosion cracking of alloy 690

NASA Astrophysics Data System (ADS)

Miller, Cody A.

The effects of short-range order (SRO), long-range order (LRO), and plastic strain on the microstructure and stress corrosion cracking (SCC) susceptibility of Ni-Cr-Fe Alloy 690 have been investigated in detail. First, the presence of 1/3{422} and 1/2{311} diffuse intensities in B=[111] and B=[112] selected area diffraction patterns (SADPs), previously believed to indicate the presence of SRO, has been examined in Alloy 690, a Ni-Cr binary alloy, and a number of FCC materials in an effort to determine their source. It is shown that these intensities are not due to SRO, although their source remains somewhat unclear. However, an experiment was conducted that tracked the strong {111} reflections in a B=[112] SADP as the sample was tilted (19°) towards a B=[111] zone axis. Significantly, it was noted that the {111} intensities never fully disappear and that they fall in the 1/3{422} positions within the B=[111] SADP. This indicates that these diffuse intensities are related to reflections that lie in the first order Laue zone (FOLZ) when the zone is aligned along B=[111], although theoretical calculations indicate scattering from these planes into the zero order Laue zone used to form the SADP should not occur. Thus, while calculations are inconsistent with the behavior expected, the diffuse intensities observed in a number of high index zones are consistent with projections of higher order Laue zone reflections into the zero layer, suggesting that the theory is in need of reassessment. Second, the stability of the gamma'-Ni2Cr LRO phase present on the Ni-Cr phase diagram was examined in a Ni-55Cr binary alloy. The results indicate that the gamma'-Ni2Cr phase is indeed metastable, and that the two-phase gamma-Ni + alpha-Cr phase field extends all the way to room temperature. Likewise, the sluggish formation of the gamma'-Ni 2Cr phase appears to occur only over a narrow composition and temperature range. It is speculated that this important phase in more complex alloys is also metastable and its metastability should be considered in applications involving long-term, high temperature exposures. Third, the effects of thermomechanical processing and long-term aging on the microstructural evolution and SCC susceptibility of Alloy 690 were examined in detail. It is shown that cold working and subsequent aging have large impacts on the microstructures observed and on the mechanical properties, and it is these changes that are related to the differences in SCC behavior. Most importantly, it is shown that the very high work hardening in Alloy 690 leads to large increases in yield strength that appear to overshadow the more subtle variations in carbide distributions at grain boundaries and prior coherent twin boundaries, and that SCC initiation is difficult if not impossible under static loading conditions. Based on these observations, it is concluded that the long-term concerns by industry of SCC initiation in Alloy 690 in the thermally-treated condition can probably be ignored unless there are regions where the alloy has been significantly hardened mechanically and the material will undergo some type of dynamic loading.

Experimental partitioning of Zr, Ti, and Nb between silicate liquid and a complex noble metal alloy and the partitioning of Ti between perovskite and platinum metal

NASA Technical Reports Server (NTRS)

Jurewicz, Stephen R.; Jones, John H.

1993-01-01

El Goresy et al.'s observation of Nb, Zr, and Ta in refractory platinum metal nuggets (RPMN's) from Ca-Al-rich inclusions (CAI's) in the Allende meteorite led them to propose that these lithophile elements alloyed in the metallic state with noble metals in the early solar nebula. However, Grossman pointed out that the thermodynamic stability of Zr in the oxide phase is vastly greater than metallic Zr at estimated solar nebula conditions. Jones and Burnett suggested this discrepancy may be explained by the very non-ideal behavior of some lithophile transition elements in noble metal solutions and/or intermetallic compounds. Subsequently, Fegley and Kornacki used thermodynamic data taken from the literature to predict the stability of several of these intermetallic compounds at estimated solar nebula conditions. Palme and Schmitt and Treiman et al. conducted experiments to quantify the partitioning behavior of certain lithophile elements between silicate liquid and Pt-metal. Although their results were somewhat variable, they did suggest that Zr partition coefficients were too small to explain the observed 'percent' levels in some RPMN's. Palme and Schmitt also observed large partition coefficients for Nb and Ta. No intermetallic phases were identified. Following the work of Treiman et al., Jurewicz and Jones performed experiments to examine Zr, Nb, and Ti partitioning near solar nebula conditions. Their results showed that Zr, Nb, and Ti all have an affinity for the platinum metal, with Nb and Ti having a very strong preference for the metal. The intermetallic phases (Zr,Fe)Pt3, (Nb,Fe)Pt3, and (Ti,Fe)Pt3 were identified. Curiously, although both experiments and calculations indicate that Ti should partition strongly into Pt-metal (possibly as TiPt3), no Ti has ever been observed in any RPMN's. Fegley and Kornacki also noticed this discrepancy and hypothesized that the Ti was stabilized in perovskite which is a common phase in Allende CAI's.

Role of valence electrons in phase transformation kinetics of thallium and its dilute alloys

NASA Technical Reports Server (NTRS)

Ahmed, R.; Ahmed, S.

1991-01-01

The kinetics of the phase transformation of thallium and its dilute alloys were investigated using XRD and calorimetry. Pure thallium exhibits a beta(bcc) to alpha(hcp) phase transformation on cooling at 508 K. With alloying additions, the crystal structure for each phase does not change, although the size of the unit cell increases. The enthalpy and the temperature of phase transformation of each alloy have been determined. The chemical free energy change associated with the phase transformation of each alloy was calculated. The valence electrons make an outstanding contribution to the chemical free energy change required for the phase change.

Ti-Sb-Te alloy: a candidate for fast and long-life phase-change memory.

PubMed

Xia, Mengjiao; Zhu, Min; Wang, Yuchan; Song, Zhitang; Rao, Feng; Wu, Liangcai; Cheng, Yan; Song, Sannian

2015-04-15

Phase-change memory (PCM) has great potential for numerous attractive applications on the premise of its high-device performances, which still need to be improved by employing a material with good overall phase-change properties. In respect to fast speed and high endurance, the Ti-Sb-Te alloy seems to be a promising candidate. Here, Ti-doped Sb2Te3 (TST) materials with different Ti concentrations have been systematically studied with the goal of finding the most suitable composition for PCM applications. The thermal stability of TST is improved dramatically with increasing Ti content. The small density change of T0.32Sb2Te3 (2.24%), further reduced to 1.37% for T0.56Sb2Te3, would greatly avoid the voids generated at phase-change layer/electrode interface in a PCM device. Meanwhile, the exponentially diminished grain size (from ∼200 nm to ∼12 nm), resulting from doping more and more Ti, enhances the adhesion between phase-change film and substrate. Tests of TST-based PCM cells have demonstrated a fast switching rate of ∼10 ns. Furthermore, because of the lower thermal conductivities of TST materials, compared with Sb2Te3-based PCM cells, T0.32Sb2Te3-based ones exhibit lower required pulse voltages for Reset operation, which largely decreases by ∼50% for T0.43Sb2Te3-based ones. Nevertheless, the operation voltages for T0.56Sb2Te3-based cells dramatically increase, which may be due to the phase separation after doping excessive Ti. Finally, considering the decreased resistance ratio, TixSb2Te3 alloy with x around 0.43 is proved to be a highly promising candidate for fast and long-life PCM applications.

Transformation behavior of Ni-Mn-Ga in the low-temperature limit.

PubMed

Pérez-Landazábal, J I; Recarte, V; Sánchez-Alarcos, V; Chernenko, V A; Barandiarán, J M; Lázpita, P; Rodriguez Fernández, J; Righi, L

2012-07-11

The magnetic, magnetocaloric and thermal characteristics have been studied in a Ni(50.3)Mn(20.8)Ga(27.6)V(1.3) ferromagnetic shape memory alloy (FSMA) transforming martensitically at around 40 K. The alloy shows first a transformation from austenite to an intermediate phase and then a partial transformation to an orthorhombic martensite, all the phases being ferromagnetically ordered. The thermomagnetization dependences enabled observation of the magnetocaloric effect in the vicinity of the martensitic transformation (MT). The Debye temperature and the density of states at the Fermi level are equal to θ(D) = (276 ± 4) K and 1.3 states/atom eV , respectively, and scarcely dependent on the magnetic field. The MT exhibited by Ni-Mn-Ga FSMAs at very low temperatures is distinctive in the sense that it is accompanied by a hardly detectable entropy change as a sign of a small driving force. The enhanced stability of the cubic phase and the low driving force of the MT stem from the reduced density of states near the Fermi level.

Discovery of a Superconducting High-Entropy Alloy

NASA Astrophysics Data System (ADS)

Koželj, P.; Vrtnik, S.; Jelen, A.; Jazbec, S.; Jagličić, Z.; Maiti, S.; Feuerbacher, M.; Steurer, W.; Dolinšek, J.

2014-09-01

High-entropy alloys (HEAs) are multicomponent mixtures of elements in similar concentrations, where the high entropy of mixing can stabilize disordered solid-solution phases with simple structures like a body-centered cubic or a face-centered cubic, in competition with ordered crystalline intermetallic phases. We have synthesized an HEA with the composition Ta34Nb33Hf8Zr14Ti11 (in at. %), which possesses an average body-centered cubic structure of lattice parameter a =3.36 Å. The measurements of the electrical resistivity, the magnetization and magnetic susceptibility, and the specific heat revealed that the Ta34Nb33Hf8Zr14Ti11 HEA is a type II superconductor with a transition temperature Tc≈7.3 K, an upper critical field μ0Hc2≈8.2 T, a lower critical field μ0Hc1≈32 mT, and an energy gap in the electronic density of states (DOS) at the Fermi level of 2Δ ≈2.2 meV. The investigated HEA is close to a BCS-type phonon-mediated superconductor in the weak electron-phonon coupling limit, classifying it as a "dirty" superconductor. We show that the lattice degrees of freedom obey Vegard's rule of mixtures, indicating completely random mixing of the elements on the HEA lattice, whereas the electronic degrees of freedom do not obey this rule even approximately so that the electronic properties of a HEA are not a "cocktail" of properties of the constituent elements. The formation of a superconducting gap contributes to the electronic stabilization of the HEA state at low temperatures, where the entropic stabilization is ineffective, but the electronic energy gain due to the superconducting transition is too small for the global stabilization of the disordered state, which remains metastable.

Weak crystallization theory of metallic alloys

DOE PAGES

Martin, Ivar; Gopalakrishnan, Sarang; Demler, Eugene A.

2016-06-20

Crystallization is one of the most familiar, but hardest to analyze, phase transitions. The principal reason is that crystallization typically occurs via a strongly first-order phase transition, and thus rigorous treatment would require comparing energies of an infinite number of possible crystalline states with the energy of liquid. A great simplification occurs when crystallization transition happens to be weakly first order. In this case, weak crystallization theory, based on unbiased Ginzburg-Landau expansion, can be applied. Even beyond its strict range of validity, it has been a useful qualitative tool for understanding crystallization. In its standard form, however, weak crystallization theorymore » cannot explain the existence of a majority of observed crystalline and quasicrystalline states. Here we extend the weak crystallization theory to the case of metallic alloys. In this paper, we identify a singular effect of itinerant electrons on the form of weak crystallization free energy. It is geometric in nature, generating strong dependence of free energy on the angles between ordering wave vectors of ionic density. That leads to stabilization of fcc, rhombohedral, and icosahedral quasicrystalline (iQC) phases, which are absent in the generic theory with only local interactions. Finally, as an application, we find the condition for stability of iQC that is consistent with the Hume-Rothery rules known empirically for the majority of stable iQC; namely, the length of the primary Bragg-peak wave vector is approximately equal to the diameter of the Fermi sphere.« less

Effect of Phase Contiguity and Morphology on the Evolution of Deformation Texture in Two-Phase Alloys

NASA Astrophysics Data System (ADS)

Gurao, N. P.; Suwas, Satyam

2017-02-01

Deformation texture evolution in two-phase xFe- yNi-(100- x- y)Cr model alloys and Ti-13Nb-13Zr alloy was studied during rolling to develop an understanding of micro-mechanisms of deformation in industrially relevant two-phase FCC-BCC steels and HCP-BCC titanium alloys, respectively. It was found that volume fraction and contiguity of phases lead to systematic changes in texture, while morphology affects the strength of texture. There was a characteristic change in texture from typical Brass-type to a weaker Copper-type texture in the austenite phase accompanied with a change from alpha fiber to gamma fiber in ferrite phase for Fe-Ni-Cr alloys with increase in fraction of harder ferrite phase. However, similar characteristic texture evolution was noted in both α and β phase irrespective of the different initial morphologies in Ti-13Nb-13Zr alloy. Viscoplastic self-consistent simulations with two-phase scheme were able to qualitatively predict texture evolution in individual phases. It is proposed that the transition from iso-strain-type behavior for equiaxed microstructure at low strain to iso-stress-type behavior at higher strain is aided by the presence of higher volume fraction of the second phase and increasing aspect ratio of individual phases in two-phase alloys.

Tailoring characteristic thermal stability of Ni-Au binary nanocrystals via structure and composition engineering: theoretical insights into structural evolution and atomic inter-diffusion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Bangquan; Wang, Hailong; Xing, Guozhong

We report on the structural evolution and atomic inter-diffusion characteristics of the bimetallic Ni-Au nanocrystals (NCs) by molecular dynamics simulations studies. Our results reveal that the thermal stability dynamics of Ni-Au NCs strongly depends on the atomic configurations. By engineering the structural construction with Ni:Au = 1:1 atomic composition, compared with core-shell Au@Ni and alloy NCs, the melting point of core-shell Ni@Au NCs is significantly enhanced up to 1215 K. Unexpectedly, with atomic ratio of Au:Ni= 1:9, the melting process initiates from the atoms in the shell of Ni@Au and alloy NCs, while starts from the core of Au@Ni NCs.more » The corresponding features and evolution process of structural motifs, mixing and segregation are illustrated via a series of dynamic simulations videos. Moreover, our results revealed that the face centered cubic phase Au{sub 0.75}Ni{sub 0.25} favorably stabilizes in NCs form but does not exist in the bulk counterpart, which elucidates the anomalies of previously reported experimental results on such bimetallic NCs.« less

Effect of Nb on magnetic and mechanical properties of TbDyFe alloys

NASA Astrophysics Data System (ADS)

Wang, Naijuan; Liu, Yuan; Zhang, Huawei; Chen, Xiang; Li, Yanxiang

2018-03-01

The intrinsic brittleness in giant magnetostrictive material TbDyFe alloy has devastating influence on the machinability and properties of the alloy, thus affecting its applications. The purpose of this paper is to study the mechanical properties of the TbDyFe alloy by alloying with Nb element. The samples (Tb0.3Dy0.7)xFe2xNby (y = 0, 0.01, 0.04, 0.07, 0.1; 3x + y = 1) were melted in an arc melting furnace under high purity argon atmosphere. The microstructure, magnetostrictive properties and mechanical performance of the alloys were studied systematically. The results showed that NbFe2 phases were observed in the alloys with the addition of Nb. Moreover, both the NbFe2 phases and rare earth (RE)-rich phases were increased with the increasing of Nb element. The mechanical properties results revealed that the fracture toughness of the alloy with the addition of Nb enhanced 1.5-5 times of the Nb-free alloy. Both the NbFe2 phase and the RE-rich phase had the ability to prevent crack propagation, so that they can strengthen the REFe2 body. However, NbFe2 phase is a paramagnetic phase, which can reduce the magnetostrictive properties of the alloy by excessive precipitation.

Porous titanium and Ti-35Nb alloy: effects on gene expression of osteoblastic cells derived from human alveolar bone.

PubMed

do Prado, Renata Falchete; Rabêlo, Sylvia Bicalho; de Andrade, Dennia Perez; Nascimento, Rodrigo Dias; Henriques, Vinicius André Rodrigues; Carvalho, Yasmin Rodarte; Cairo, Carlos Alberto Alves; de Vasconcellos, Luana Marotta Reis

2015-11-01

Tests on titanium alloys that possess low elastic modulus, corrosion resistance and minimal potential toxicity are ongoing. This study aimed to evaluate the behavior of human osteoblastic cells cultured on dense and porous Titanium (Ti) samples comparing to dense and porous Ti-35 Niobium (Ti-35Nb) samples, using gene expression analysis. Scanning electronic microscopy confirmed surface porosity and pore interconnectivity and X-ray diffraction showed titanium beta-phase stabilization in Ti-35Nb alloy. There were no differences in expression of transforming growth factor-β, integrin-β1, alkaline phosphatase, osteopontin, macrophage colony stimulating factor, prostaglandin E synthase, and apolipoprotein E regarding the type of alloy, porosity and experimental period. The experimental period was a significant factor for the markers: bone sialoprotein II and interleukin 6, with expression increasing over time. Porosity diminished Runt-related transcription factor-2 (Runx-2) expression. Cells adhering to the Ti-35Nb alloy showed statistically similar expression to those adhering to commercially pure Ti grade II, for all the markers tested. In conclusion, the molecular mechanisms of interaction between human osteoblasts and the Ti-35Nb alloy follow the principal routes of osseointegration of commercially pure Ti grade II. Porosity impaired the route of transcription factor Runx-2.

Alloys for a liquid metal fast breeder reactor

DOEpatents

Rowcliffe, Arthur F.; Bleiberg, Melvin L.; Diamond, Sidney; Bajaj, Ram

1979-01-01

An essentially gamma-prime precipitation-hardened iron-chromium-nickel alloy has been designed with emphasis on minimum nickel and chromium contents to reduce the swelling tendencies of these alloys when used in liquid metal fast breeder reactors. The precipitation-hardening components have been designed for phase stability and such residual elements as silicon and boron, also have been selected to minimize swelling. Using the properties of these alloys in one design would result in an increased breeding ratio over 20% cold worked stainless steel, a reference material, of 1.239 to 1.310 and a reduced doubling time from 15.8 to 11.4 years. The gross stoichiometry of the alloying composition comprises from about 0.04% to about 0.06% carbon, from about 0.05% to about 1.0% silicon, up to about 0.1% zirconium, up to about 0.5% vanadium, from about 24% to about 31% nickel, from 8% to about 11% chromium, from about 1.7% to about 3.5% titanium, from about 1.0% to about 1.8% aluminum, from about 0.9% to about 3.7% molybdenum, from about 0.04% to about 0.8% boron, and the balance iron with incidental impurities.

Ageless Aluminum-Cerium-Based Alloys in High-Volume Die Casting for Improved Energy Efficiency

DOE PAGES

Stromme, Eric T.; Henderson, Hunter B.; Sims, Zachary C.; ...

2018-04-25

Strong chemical reactions between Al and Ce lead to the formation of intermetallics with exceptional thermal stability. The rapid formation of intermetallics directly from the liquid phase during solidification of Al-Ce alloys leads to an ultrafine microconstituent structure that effectively strengthens as-cast alloys without further microstructural optimization via thermal processing. Die casting is a high-volume manufacturing technology that accounts for greater than 40% of all cast Al products, whereas Ce is highly overproduced as a waste product of other rare earth element (REE) mining. Reducing heat treatments would stimulate significant improvements in manufacturing energy efficiency, exceeding (megatonnes/year) per large-scale heat-treatmentmore » line. In this study, multiple compositions were evaluated with wedge mold castings to test the sensitivity of alloys to the variable solidification rate inherent in high-pressure die casting. Once a suitable composition was determined, it was successfully demonstrated at 800 lbs/h in a 600-ton die caster, after which the as-die cast parts performed similarly to ubiquitous A380 in the same geometry without requiring heat treatment. Furthermore, this work demonstrates the compatibility of Al REE alloys with high-volume die-casting applications with minimal heat treatments.« less

Using heterostructural alloying to tune the structure and properties of the thermoelectric Sn 1–xCa xSe

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matthews, Bethany E.; Holder, Aaron M.; Schelhas, Laura T.

We grow and kinetically stabilize the isotropic rocksalt phase of SnSe thin films by alloying SnSe with CaSe. Thin polycrystalline films of the metastable heterostructural alloy Sn 1–xCa xSe are synthesized by pulsed laser deposition on amorphous SiO 2 over the entire composition range 0 < x < 1. We observe the theoretically-predicted, composition-driven change from a layered, orthorhombic structure to an isotropic, cubic structure near x = 0.18, in reasonable agreement with the theoretical value of x = 0.13 calculated from first principles. The optical band gap is highly non-linear in x and the trend agrees with theory predictions.more » Compared to the layered end-member SnSe, the isotropic alloy near the orthorhombic-to-rocksalt transition has a p-type electrical resistivity three orders of magnitude lower, and a thermoelectric power factor at least ten times larger. Furthermore manipulation of the structure of a functional material like SnSe via alloying may provide a new path to enhanced functionality, in this case, improved thermoelectric performance.« less

Ageless Aluminum-Cerium-Based Alloys in High-Volume Die Casting for Improved Energy Efficiency

NASA Astrophysics Data System (ADS)

Stromme, Eric T.; Henderson, Hunter B.; Sims, Zachary C.; Kesler, Michael S.; Weiss, David; Ott, Ryan T.; Meng, Fanqiang; Kassoumeh, Sam; Evangelista, James; Begley, Gerald; Rios, Orlando

2018-06-01

Strong chemical reactions between Al and Ce lead to the formation of intermetallics with exceptional thermal stability. The rapid formation of intermetallics directly from the liquid phase during solidification of Al-Ce alloys leads to an ultrafine microconstituent structure that effectively strengthens as-cast alloys without further microstructural optimization via thermal processing. Die casting is a high-volume manufacturing technology that accounts for greater than 40% of all cast Al products, whereas Ce is highly overproduced as a waste product of other rare earth element (REE) mining. Reducing heat treatments would stimulate significant improvements in manufacturing energy efficiency, exceeding (megatonnes/year) per large-scale heat-treatment line. In this study, multiple compositions were evaluated with wedge mold castings to test the sensitivity of alloys to the variable solidification rate inherent in high-pressure die casting. Once a suitable composition was determined, it was successfully demonstrated at 800 lbs/h in a 600-ton die caster, after which the as-die cast parts performed similarly to ubiquitous A380 in the same geometry without requiring heat treatment. This work demonstrates the compatibility of Al REE alloys with high-volume die-casting applications with minimal heat treatments.

Ageless Aluminum-Cerium-Based Alloys in High-Volume Die Casting for Improved Energy Efficiency

NASA Astrophysics Data System (ADS)

Stromme, Eric T.; Henderson, Hunter B.; Sims, Zachary C.; Kesler, Michael S.; Weiss, David; Ott, Ryan T.; Meng, Fanqiang; Kassoumeh, Sam; Evangelista, James; Begley, Gerald; Rios, Orlando

2018-04-01

Strong chemical reactions between Al and Ce lead to the formation of intermetallics with exceptional thermal stability. The rapid formation of intermetallics directly from the liquid phase during solidification of Al-Ce alloys leads to an ultrafine microconstituent structure that effectively strengthens as-cast alloys without further microstructural optimization via thermal processing. Die casting is a high-volume manufacturing technology that accounts for greater than 40% of all cast Al products, whereas Ce is highly overproduced as a waste product of other rare earth element (REE) mining. Reducing heat treatments would stimulate significant improvements in manufacturing energy efficiency, exceeding (megatonnes/year) per large-scale heat-treatment line. In this study, multiple compositions were evaluated with wedge mold castings to test the sensitivity of alloys to the variable solidification rate inherent in high-pressure die casting. Once a suitable composition was determined, it was successfully demonstrated at 800 lbs/h in a 600-ton die caster, after which the as-die cast parts performed similarly to ubiquitous A380 in the same geometry without requiring heat treatment. This work demonstrates the compatibility of Al REE alloys with high-volume die-casting applications with minimal heat treatments.

Ageless Aluminum-Cerium-Based Alloys in High-Volume Die Casting for Improved Energy Efficiency

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stromme, Eric T.; Henderson, Hunter B.; Sims, Zachary C.

Strong chemical reactions between Al and Ce lead to the formation of intermetallics with exceptional thermal stability. The rapid formation of intermetallics directly from the liquid phase during solidification of Al-Ce alloys leads to an ultrafine microconstituent structure that effectively strengthens as-cast alloys without further microstructural optimization via thermal processing. Die casting is a high-volume manufacturing technology that accounts for greater than 40% of all cast Al products, whereas Ce is highly overproduced as a waste product of other rare earth element (REE) mining. Reducing heat treatments would stimulate significant improvements in manufacturing energy efficiency, exceeding (megatonnes/year) per large-scale heat-treatmentmore » line. In this study, multiple compositions were evaluated with wedge mold castings to test the sensitivity of alloys to the variable solidification rate inherent in high-pressure die casting. Once a suitable composition was determined, it was successfully demonstrated at 800 lbs/h in a 600-ton die caster, after which the as-die cast parts performed similarly to ubiquitous A380 in the same geometry without requiring heat treatment. Furthermore, this work demonstrates the compatibility of Al REE alloys with high-volume die-casting applications with minimal heat treatments.« less

Mapping Chemical Selection Pathways for Designing Multicomponent Alloys: an informatics framework for materials design.

PubMed

Srinivasan, Srikant; Broderick, Scott R; Zhang, Ruifeng; Mishra, Amrita; Sinnott, Susan B; Saxena, Surendra K; LeBeau, James M; Rajan, Krishna

2015-12-18

A data driven methodology is developed for tracking the collective influence of the multiple attributes of alloying elements on both thermodynamic and mechanical properties of metal alloys. Cobalt-based superalloys are used as a template to demonstrate the approach. By mapping the high dimensional nature of the systematics of elemental data embedded in the periodic table into the form of a network graph, one can guide targeted first principles calculations that identify the influence of specific elements on phase stability, crystal structure and elastic properties. This provides a fundamentally new means to rapidly identify new stable alloy chemistries with enhanced high temperature properties. The resulting visualization scheme exhibits the grouping and proximity of elements based on their impact on the properties of intermetallic alloys. Unlike the periodic table however, the distance between neighboring elements uncovers relationships in a complex high dimensional information space that would not have been easily seen otherwise. The predictions of the methodology are found to be consistent with reported experimental and theoretical studies. The informatics based methodology presented in this study can be generalized to a framework for data analysis and knowledge discovery that can be applied to many material systems and recreated for different design objectives.

Using heterostructural alloying to tune the structure and properties of the thermoelectric Sn 1–xCa xSe

DOE PAGES

Matthews, Bethany E.; Holder, Aaron M.; Schelhas, Laura T.; ...

2017-07-21

We grow and kinetically stabilize the isotropic rocksalt phase of SnSe thin films by alloying SnSe with CaSe. Thin polycrystalline films of the metastable heterostructural alloy Sn 1–xCa xSe are synthesized by pulsed laser deposition on amorphous SiO 2 over the entire composition range 0 < x < 1. We observe the theoretically-predicted, composition-driven change from a layered, orthorhombic structure to an isotropic, cubic structure near x = 0.18, in reasonable agreement with the theoretical value of x = 0.13 calculated from first principles. The optical band gap is highly non-linear in x and the trend agrees with theory predictions.more » Compared to the layered end-member SnSe, the isotropic alloy near the orthorhombic-to-rocksalt transition has a p-type electrical resistivity three orders of magnitude lower, and a thermoelectric power factor at least ten times larger. Furthermore manipulation of the structure of a functional material like SnSe via alloying may provide a new path to enhanced functionality, in this case, improved thermoelectric performance.« less

Influence of Cr and Y Addition on Microstructure, Mechanical Properties, and Corrosion Resistance of SPSed Fe-Based Alloys

NASA Astrophysics Data System (ADS)

Muthaiah, V. M. Suntharavel; Mula, Suhrit

2018-03-01

Present work investigates the microstructural stability during spark plasma sintering (SPS) of Fe-Cr-Y alloys, its mechanical properties and corrosion behavior for its possible applications in nuclear power plant and petrochemical industries. The SPS was carried out for the Fe-7Cr-1Y and Fe-15Cr-1Y alloys at 800 °C, 900 °C, and 1000 °C due to their superior thermal stability as reported in Muthaiah et al. [Mater Charact 114:43-53, 2016]. Microstructural analysis through TEM and electron back scattered diffraction confirmed that the grain sizes of the sintered samples depicted a dual size grain distribution with >50 pct grains within a range of 200 nm and remaining grains in the range 200 nm to 2 µm. The best combination of hardness, wear resistance, and corrosion behavior was achieved for the samples sintered at 1000 °C. The high hardness (9.6 GPa), minimum coefficient of friction (0.25), and extremely low wear volume (0.00277 × 10-2 mm3) and low corrosion rate (3.43 mpy) are discussed in the light of solid solution strengthening, grain size strengthening, grain boundary segregation, excellent densification due to diffusion bonding, and precipitation hardening due to uniformly distributed nanosize Fe17Y2 phase in the alloy matrix. The SEM analysis of the worn surface and corroded features corroborated well with the wear resistance and corrosion behavior of the corresponding samples.

Microstructure and thermoelectric properties of doped p-type CoSb3 under TGZM effect

NASA Astrophysics Data System (ADS)

Wang, Hongqiang; Li, Shuangming; Li, Xin; Zhong, Hong

2017-05-01

The Co-96.9 wt% Sb hypoeutectic alloy doped by 0.12 wt% YbFe was solidified in a Bridgman-type furnace based on temperature gradient zone melting (TGZM) effect. A mushy zone was observed between the complete liquid zone and the solid zone at different thermal stabilization time ranging from 15 min to 40 h. The mushy-zone solidified microstructures of the alloy only consist of CoSb3 and Sb phase. After 40 h thermal stabilization time, the volume fraction of CoSb3 in the mushy zone increases significantly up to 99.6% close to the solid-liquid interface. The hardness and fracture toughness of doped CoSb3 can reach 7.01 ± 0.69 GPa and 0.78 ± 0.08 MPa·m1/2, respectively. Meanwhile, the thermoelectric properties of the alloy were measured ranging from room temperature (RT) to 850 K. The Seebeck coefficient of the specimen prepared by TGZM effect after 40 h could reach 155 μV/K and the ZT value is 0.47 at 660 K, showing that it is feasible to prepare CoSb3 bulk material via TGZM effect. As a simple and one-step solidification method, the TGZM technique could be applied in the preparation of skutterudite compounds.

Thermodynamic investigation of the effect of alkali metal impuries on the processing of aluminum and magnesium alloys

NASA Astrophysics Data System (ADS)

Zhang, Shengjun

2006-12-01

Aluminum and magnesium alloys are widely used in the automobile and aerospace industries as structural materials due to their light weight, high specific strength and good formability. However, they suffer from the poor hot rolling characteristics due to undesired impurities like calcium, potassium, lithium and sodium. They increase the hydrogen solubility in the melt and promote the formation of porosity in aluminum castings. During fabrication of aluminum alloys, they cause the hot-shortness and embrittlement due to cracking. They also led to "blue haze" corrosion which promotes the discoloration of aluminum under humid condition. The removal of these elements increases overall melt loss of aluminum alloys when aluminum products are remelted and recast. Na is one of the common impurities in the Al and Mg alloys. In industry, primary Al is produced by the Hall-Heroult process, through the electrolysis of the mixture of molten alumina and cryolite (Al2O3+Na 3AlF6), the latter being added to lower the melting point. Therefore, Al inevitably contains some Na (>0.002%) without further treatment. The Na content in Al is influenced by the thermodynamics and kinetics of the electrolysis. Similarly, in the electrolytic production and subsequent processing of Mg, Mg is commonly in contact with molten salt mixtures of NaCl and MgCl 2. Consequently, 2--20 wt. ppm Na is often found in Mg alloys. Besides originating from the industrial production process, Na can be introduced in laboratory experiments from alumina crucibles by the reaction between the molten Al-Mg alloys and the Na2O impurity in the alumina crucible. The trace element K plays a similar role in Al alloys although it is seldom discussed. No systematic theoretic research has been carried out to investigate the behavior of these impurities during the processing of aluminum alloys. The thermodynamic description of the Al-Ca-K-Li-Mg-Na system is needed to understand the effects of Ca, K, Li and Na on phase stability of aluminum and magnesium alloys. As the first step of the thermodynamic description of the high-order system, the constitutive-binary systems were modeled in the present work using the CALPHAD technique combined with first-principles calculations. Then, ternaries and higher order systems can be modeled. For ternary systems without experimental data, the thermodynamic description is extrapolated by combining three constitutive-binary systems. Alkali-metal induced high temperature embrittlement (HTE) and loss of ductility were investigated in Al-Li, Al-Mg and Mg-Li alloys. It was discovered that the alkali-metal-rich liquid-2 phase is the cause of HTE and the loss of ductility is proportional to the mole fraction of the liquid phase and the grain size. The calculated results are consistent with experimental observations in the literature and were used to determine HTE safe and sensitive zones, maximum and critical hot-rolling temperatures and the maximum allowable Na content in alloys, which can be used to industrial processing of Al and Mg alloys. The degree of HTE is proportional to the mole fraction of the liquid-2 phase and the grain size.

Quasicrystal-reinforced Mg alloys.

PubMed

Kyun Kim, Young; Tae Kim, Won; Hyang Kim, Do

2014-04-01

The formation of the icosahedral phase (I-phase) as a secondary solidification phase in Mg-Zn-Y and Mg-Zn-Al base systems provides useful advantages in designing high performance wrought magnesium alloys. The strengthening in two-phase composites (I-phase + α -Mg) can be explained by dispersion hardening due to the presence of I-phase particles and by the strong bonding property at the I-phase/matrix interface. The presence of an additional secondary solidification phase can further enhance formability and mechanical properties. In Mg-Zn-Y alloys, the co-presence of I and Ca 2 Mg 6 Zn 3 phases by addition of Ca can significantly enhance formability, while in Mg-Zn-Al alloys, the co-presence of the I-phase and Mg 2 Sn phase leads to the enhancement of mechanical properties. Dynamic and static recrystallization are significantly accelerated by addition of Ca in Mg-Zn-Y alloy, resulting in much smaller grain size and more random texture. The high strength of Mg-Zn-Al-Sn alloys is attributed to the presence of finely distributed Mg 2 Sn and I-phase particles embedded in the α -Mg matrix.

Quasicrystal-reinforced Mg alloys

PubMed Central

Kyun Kim, Young; Tae Kim, Won; Hyang Kim, Do

2014-01-01

The formation of the icosahedral phase (I-phase) as a secondary solidification phase in Mg–Zn–Y and Mg–Zn–Al base systems provides useful advantages in designing high performance wrought magnesium alloys. The strengthening in two-phase composites (I-phase + α-Mg) can be explained by dispersion hardening due to the presence of I-phase particles and by the strong bonding property at the I-phase/matrix interface. The presence of an additional secondary solidification phase can further enhance formability and mechanical properties. In Mg–Zn–Y alloys, the co-presence of I and Ca2Mg6Zn3 phases by addition of Ca can significantly enhance formability, while in Mg–Zn–Al alloys, the co-presence of the I-phase and Mg2Sn phase leads to the enhancement of mechanical properties. Dynamic and static recrystallization are significantly accelerated by addition of Ca in Mg–Zn–Y alloy, resulting in much smaller grain size and more random texture. The high strength of Mg–Zn–Al–Sn alloys is attributed to the presence of finely distributed Mg2Sn and I-phase particles embedded in the α-Mg matrix. PMID:27877660

Influence of beta instabilities on the early stages of nucleation and growth of alpha in beta titanium alloys

NASA Astrophysics Data System (ADS)

Nag, Soumya

Microstructural evolution in beta Titanium alloys is an important factor that governs the properties exhibited by them. Intricate understanding of complex phase transformations in these alloys is vital to tailor their microstructures and in turn their properties to our advantage. One such important subject of study is the nucleation and growth of alpha precipitates triggered by the compositional instabilities in the beta matrix, instilled in them during non equilibrium heat treatments. The present work is an effort to investigate such a phenomenon. Here studies have been conducted primarily on two different beta-Titanium alloys of commercial relevance- Ti5553 (Ti-5Al-5Mo-5V-3Cr-0.5Fe), an alloy used in the aerospace industry for landing gear applications and, TNZT (Ti-35Nb-7Zr-5Ta), a potential load bearing orthopedic implant alloy. Apart from the effect of thermal treatment on these alloys, the focus of this work is to study the interplay between different alpha and beta stabilizers present in them. For this, advanced nano-scale characterization tools such as High Resolution STEM, High Resolution TEM, EFTEM and 3D Atom Probe have been used to determine the structure, distribution and composition of the non equilibrium instabilities such as beta' and o, and also to investigate the subsequent nucleation of stable alpha. Thus in this work, very early stages of phase separation via spinodal decomposition and second phase nucleation in titanium alloys are successfully probed at an atomic resolution. For the first time, atomically resolved HRSTEM 'Z'-contrast image is recorded showing modulated structures within the as-quenched beta matrix. Also in the same condition HRTEM results showed the presence of nanoscale alpha regions. These studies are revalidated by conventional selected area diffraction and 3D atom probe reconstruction results. Also TEM dark field and selected are diffraction studies are conducted to understand the effect of quenching and subsequent aging of o precipitates. Using 3D atom probe tomography, the elemental partitioning involved in coarsening of o is investigated in detail. Finally by performing a series of well planned heat treatments, an effort is made to reason out the influence of these instabilities on the morphology, volume fraction and nucleation site of alpha.

Modeling creep deformation of a two-phase TiAI/Ti3Al alloy with a lamellar microstructure

NASA Astrophysics Data System (ADS)

Bartholomeusz, Michael F.; Wert, John A.

1994-10-01

A two-phase TiAl/Ti3Al alloy with a lamellar microstructure has been previously shown to exhibit a lower minimum creep rate than the minimum creep rates of the constituent TiAl and Ti3Al single-phase alloys. Fiducial-line experiments described in the present article demonstrate that the creep rates of the constituent phases within the two-phase TiAl/Ti3Al lamellar alloy tested in compression are more than an order of magnitude lower than the creep rates of single-phase TiAl and Ti3Al alloys tested in compression at the same stress and temperature. Additionally, the fiducial-line experiments show that no interfacial sliding of the phases in the TiAl/Ti3Al lamellar alloy occurs during creep. The lower creep rate of the lamellar alloy is attributed to enhanced hardening of the constituent phases within the lamellar microstructure. A composite-strength model has been formulated to predict the creep rate of the lamellar alloy, taking into account the lower creep rates of the constituent phases within the lamellar micro-structure. Application of the model yields a very good correlation between predicted and experimentally observed minimum creep rates over moderate stress and temperature ranges.

The half-metallicity of LiMgPdSn-type quaternary Heusler alloys FeMnScZ (Z=Al, Ga, In): A first-principle study

NASA Astrophysics Data System (ADS)

Gao, Y. C.; Gao, X.

2015-05-01

Based on the first-principles calculations, quaternary Heusler alloys FeMnScZ (Z=Al, Ga, In) including its phase stability, band gap, the electronic structures and magnetic properties has been studied systematically. We have found that, in terms of the equilibrium lattice constants, FeMnScZ (Z=Al, Ga, In) are half-metallic ferrimagnets, which can sustain the high spin polarization under a very large amount of lattice distortions. The half-metallic band gap in FeMnScZ (Z=Al, Ga, In) alloys originates from the t1u-t2g splitting instead of the eu-t1u splitting. The total magnetic moments are 3μB per unit cell for FeMnScZ (Z=Al, Ga, In) alloys following the Slater-Pauling rule with the total number of valence electrons minus 18 rather than 24. According to the study, the conclusion can be drawn that all of these compounds which have a negative formation energy are possible to be synthesized experimentally.

Effect of the Sm content on the structure and electrochemical properties of La 1.3 - xSm xCaMg 0.7Ni 9 ( x = 0-0.3) hydrogen storage alloys

NASA Astrophysics Data System (ADS)

Tang, Rui; Wei, Xuedong; Liu, Yongning; Zhu, Changchun; Zhu, Jiewu; Yu, Guang

La 1.3 - xSm xCaMg 0.7Ni 9 (x = 0-0.3) hydrogen storage alloys were prepared by inductive melting and the effect of the Sm content on the structure and electrochemical properties was investigated in the paper. The Sm substitution for La in La 1.3 - xSm xCaMg 0.7Ni 9 (x = 0-0.3) alloys does not change the main phase structure (the rhombohedral PuNi 3-type structure), but leads to a shrinkage of unit cell and a decrease of hydrogen storage capacity. With the increase of the Sm content in the alloys, the maximum discharge capacity of electrode decreases from 400.2 (x = 0) to 346.6 mAh g -1 (x = 0.3), but the high-rate dischargeability and cycling stability is improved. After 100 cycles, the capacity retention rate increases from 75 (x = 0) to 85% (x = 0.3).

HEAT TREATED U-Nb ALLOYS

DOEpatents

McGeary, R.K.; Justusson, W.M.

1959-11-24

A fuel element for a nuclear reactor is described comprising an alloy containing uranium and from 7 to 20 wt.% niobium, the alloy being substantially in the gamma phase and having been produced by working an ingot of the alloy into the desired shape, homogenizing it by annealing it at a temperature in the gamma phase field, and quenching it to retain the gamma phase structure of the alloy.

Simulations of irradiated-enhanced segregation and phase separation in Fe–Cu–Mn alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Boyan; Hu, Shenyang; Li, Chengliang

2017-06-13

For reactor pressure vessel steels, the addition of Cu, Mn, and Ni has a positive effect on mechanical, corrosion and radiation resistance properties. However, experiments show that radiation-enhanced segregation and/or phase separation is one of important material property degradation processes. In this work, we developed a model integrating rate theory and phase-field approaches to investigate the effect of irradiation on solute segregation and phase separation. The rate theory is used to describe the accumulation and clustering of radiation defects while the phase-field approach describes the effect of radiation defects on phase stability and microstructure evolution. The Fe-Cu-Mn ternary alloy ismore » taken as a model system. The free energies used in the phase-field model are from CALPHAD. Spatial dependent radiation damage from atomistic simulations is introduced into the simulation cell for a given radiation dose rate. The radiation effect on segregation and phase separation is taken into account through the defect concentration dependence of solute mobility. With the model the effect of temperatures and radiation rates on Cu and Mn segregation and Cu-rich phase nucleation are systematically investigated. The segregation and nucleation mechanisms are analyzed. The simulations demonstrated that the nucleus of Cu precipitates has a core-shell composition profile, i.e., Cu rich at center and Mn rich at the interface, in good agreement with the theoretical calculation as well as experimental observations.« less

Application of constrained equilibrium thermodynamics to irradiated alloy systems

NASA Astrophysics Data System (ADS)

Holloway, James Paul; Stubbins, James F.

1984-05-01

Equilibrium thermodynamics are applied to systems with an excess of point defects to calculate the relative stability of phases. It is possible to model systems with supersaturation levels of vacancies and interstitials, such as those found under irradiation. The calculations reveal the extent to which phase compositional boundaries could shift when one phase or both in a two phase system contain an excess of point defects. Phase boundary shifts in the Ni-Si, Fe-Ni, Ni-Cr, and Fe-Cr systems are examined as a function of the number of excess defects in each phase. It is also found that the critical temperature of the sigma phase in the Fe-Cr system and the fcc-bcc transition in the Fe-Ni are sensitive to excess defect concentrations. These results may apply to local irradiation-induced phase transformations in the presence of solute segregation.