Investigation of Ta-MX/Z-Phase and Laves Phase as Precipitation Hardening Particles in a 12 Pct Cr Heat-Resistant Steel

NASA Astrophysics Data System (ADS)

Sanhueza, J. P.; Rojas, D.; Prat, O.; García, J.; Meléndrez, M. F.; Suarez, S.

2018-07-01

A 12 pct Cr martensitic/ferritic steel was designed and produced to study Laves and Z-phase as precipitation hardening particles under creep conditions (650 °C). According to thermodynamic calculations, W and Cu additions were selected to ensure the precipitation of Laves after tempering. It is known that Z-phase formation does not follow the classical nucleation theory. Indeed, MX particles are transformed into Z-phase by Cr diffusion from the matrix to the precipitate. Therefore, to promote fast Z-phase formation, Ta, Co, and N additions were used to produce Ta-MX, which will be transformed into Z-phase. The main result achieved was the precipitation of Laves after tempering, with a particle size of 196 nm. As regards to Z-phase, the transformation of Ta-MX into Z-phase after tempering was confirmed by the formation of hybrid nanoparticles of 30 nm. Although W and Ta have a low diffusion in the martensitic/ferritic matrix, characterization of the precipitates after isothermal aging revealed that Laves and Z-phase have fast growth kinetics, reaching 400 and 143 nm, respectively, at 8760 hours. Consequently, creep test at 650 °C showed premature failures after few thousand hours. Therefore, it is expected that future research in the field of martensitic/ferritic steels will focus on the growth and coarsening behavior of Laves and Z-phase.

Investigation of Ta-MX/Z-Phase and Laves Phase as Precipitation Hardening Particles in a 12 Pct Cr Heat-Resistant Steel

NASA Astrophysics Data System (ADS)

Sanhueza, J. P.; Rojas, D.; Prat, O.; García, J.; Meléndrez, M. F.; Suarez, S.

2018-05-01

A 12 pct Cr martensitic/ferritic steel was designed and produced to study Laves and Z-phase as precipitation hardening particles under creep conditions (650 °C). According to thermodynamic calculations, W and Cu additions were selected to ensure the precipitation of Laves after tempering. It is known that Z-phase formation does not follow the classical nucleation theory. Indeed, MX particles are transformed into Z-phase by Cr diffusion from the matrix to the precipitate. Therefore, to promote fast Z-phase formation, Ta, Co, and N additions were used to produce Ta-MX, which will be transformed into Z-phase. The main result achieved was the precipitation of Laves after tempering, with a particle size of 196 nm. As regards to Z-phase, the transformation of Ta-MX into Z-phase after tempering was confirmed by the formation of hybrid nanoparticles of 30 nm. Although W and Ta have a low diffusion in the martensitic/ferritic matrix, characterization of the precipitates after isothermal aging revealed that Laves and Z-phase have fast growth kinetics, reaching 400 and 143 nm, respectively, at 8760 hours. Consequently, creep test at 650 °C showed premature failures after few thousand hours. Therefore, it is expected that future research in the field of martensitic/ferritic steels will focus on the growth and coarsening behavior of Laves and Z-phase.

As-Cast Icosashedral Quasicrystals in Ti-Zr-Ni Alloys

NASA Astrophysics Data System (ADS)

Lee, Geun Woo; Gangopadhyay, Anup K.; Kelton, Kenneth F.

2002-03-01

Most Ti-based icosahedral quasicrystals (i-phase) obtained by rapid quenching from the melt are metastable and disordered. In contrast, the Ti-Zr-Ni i-phase prepared by low temperature annealing is stable and better ordered. This i-phase is formed by a solid-state transformation from C14 Laves phase and α (Ti/Zr) solid-solution phase. It has not been possible previously to grow this i-phase directly from the liquid. Here, the nucleation and growth of the i-phase from the liquid in as-cast Ti-Zr-Ni alloys is reported. Pentagonal growth ledges in as-cast Ti-Zr-Ni ingots are clearly observed. Transmission electron microscopy and x-ray diffraction studies confirm the phase identity. Differential scanning calorimetry measurements show an endothermic transformation from the i-phase to a phase mixture of the C14 Laves and solid-solution phases, demonstrating that this i-phase is also stable. The short time that the liquid remains in the Laves phase-forming-field and the higher nucleation rate of the i-phase, owing to the presumed similarity between the local atomic structures of the i-phase and liquid, allows the i-phase to nucleate and grow directly from the liquid. Container-less solidification studies using electrostatic levitation (ESL) techniques support this conclusion.

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.

Characterization of the Microstructures and the Cryogenic Mechanical Properties of Electron Beam Welded Inconel 718

NASA Astrophysics Data System (ADS)

Kwon, Soon Il; Bae, Sang Hyun; Do, Jeong Hyeon; Jo, Chang Yong; Hong, Hyun Uk

2016-02-01

The microstructures and the cryogenic mechanical properties of electron beam (EB) welds between cast and forged Inconel 718 superalloys with a thickness of 10 mm were investigated in comparison with gas tungsten arc (GTA) welds. EB welding with a heat input lower than 250 J/mm caused the formation of liquation microfissuring in the cast-side heat-affected-zone (HAZ) of the EB welds. HAZ liquation microfissuring appeared to be associated with the constitutional liquation of primary NbC carbides at the grain boundaries. Compared with the GTA welding process, the EB welding produced welds with superior microstructure, exhibiting fine dendritic structure associated with the reduction in size and fraction of the Laves phase due to the rapid cooling rate. This result was responsible for the superior mechanical properties of the EB welds at 77 K (-196 °C). Laves particles in both welds were found to provide the preferential site for the crack initiation and propagation, leading to a significant decrease in the Charpy impact toughness at 77 K (-196 °C). Crack initiation and propagation induced by Charpy impact testing were discussed in terms of the dendrite arm spacing, the Laves size and the dislocation structure ahead of the crack arisen from the fractured Laves phase in the two welds.

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

Data on the effect of homogenization heat treatments on the cast structure and tensile properties of alloy 718Plus in the presence of grain-boundary elements.

PubMed

Hosseini, Seyed Ali; Madar, Karim Zangeneh; Abbasi, Seyed Mehdi

2017-08-01

The segregation of the elements during solidification and the direct formation of destructive phases such as Laves from the liquid, result in in-homogeneity of the cast structure and degradation of mechanical properties. Homogenization heat treatment is one of the ways to eliminate destructive Laves from the cast structure of superalloys such as 718Plus. The collected data presents the effect of homogenization treatment conditions on the cast structure, hardness, and tensile properties of the alloy 718Plus in the presence of boron and zirconium additives. For this purpose, five alloys with different contents of boron and zirconium were cast by VIM/VAR process and then were homogenized at various conditions. The microstructural investigation by OM and SEM and phase analysis by XRD were done and then hardness and tensile tests were performed on the homogenized alloys.

Communication: From close-packed to topologically close-packed: Formation of Laves phases in moderately polydisperse hard-sphere mixtures

NASA Astrophysics Data System (ADS)

Lindquist, Beth A.; Jadrich, Ryan B.; Truskett, Thomas M.

2018-05-01

Particle size polydispersity can help to inhibit crystallization of the hard-sphere fluid into close-packed structures at high packing fractions and thus is often employed to create model glass-forming systems. Nonetheless, it is known that hard-sphere mixtures with modest polydispersity still have ordered ground states. Here, we demonstrate by computer simulation that hard-sphere mixtures with increased polydispersity fractionate on the basis of particle size and a bimodal subpopulation favors the formation of topologically close-packed C14 and C15 Laves phases in coexistence with a disordered phase. The generality of this result is supported by simulations of hard-sphere mixtures with particle-size distributions of four different forms.

Structural, thermodynamic, and electronic properties of Laves-phase NbMn2 from first principles, x-ray diffraction, and calorimetric experiments

NASA Astrophysics Data System (ADS)

Yan, X.; Chen, Xing-Qiu; Michor, H.; Wolf, W.; Witusiewicz, V. T.; Bauer, E.; Podloucky, R.; Rogl, P.

2018-03-01

By combining theoretical density functional theory (DFT) and experimental studies, structural and magnetic phase stabilities and electronic structural, elastic, and vibrational properties of the Laves-phase compound NbMn2 have been investigated for the C14, C15, and C36 crystal structures. At low temperatures C14 is the ground-state structure, with ferromagnetic and antiferromagnetic orderings being degenerate in energy. The degenerate spin configurations result in a rather large electronic density of states at Fermi energy for all magnetic cases, even for the spin-polarized DFT calculations. Based on the DFT-derived phonon dispersions and densities of states, temperature-dependent free energies were derived for the ferromagnetic and antiferromagnetic C14 phase, demonstrating that the spin-configuration degeneracy possibly exists up to finite temperatures. The heat of formation Δ298H0=-45.05 ±3.64 kJ (molf .u .NbMn2) -1 was extracted from drop isoperibolic calorimetry in a Ni bath. The DFT-derived enthalpy of formation of NbMn2 is in good agreement with the calorimetric measurements. Second-order elastic constants for NbMn2 as well as for related compounds were calculated.

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.

Influence of Thermal Ageing on Microstructure and Tensile Properties of P92 Steel

NASA Astrophysics Data System (ADS)

Sakthivel, T.; Selvi, S. Panneer; Parameswaran, P.; Laha, K.

2018-04-01

Microstructure and tensile properties of P92 steel in the normalized and tempered, and thermal aged at 923 K for 5000 h and 10,000 h conditions have been investigated. Laves phase precipitate was observed in the thermal-aged steels. The size of Laves phase precipitate increased with increase in thermal exposure. This was also confirmed from the observation that the area fraction of Laves phase precipitate was higher in the 5000 h aged condition which decreased with further increase in thermal exposure. On the other hand, the size and area fraction of M23C6 precipitate were found increased in the 5000 h aged steel, further continued to enhanced precipitation of fine M23C6 in the 10,000 h aged steel. This resulted in significant increase in area fraction and comparable size with the steel aged for 5000 h. Hardness of the steel was decreased with increase in the duration of ageing. Thermal-aged steels exhibited lower yield stress, ultimate tensile strength and relatively higher ductility in comparison with steel in the normalized and tempered condition. The increase in lath width and recovery of dislocation structure under thermal-aged condition resulted in lower tensile strength and hardness. An extensive Laves phase formation and coarsening by loss of tungsten in the matrix led to decrease in the tensile strength predominantly in the 5000 h aged steel. The tensile strength of 10,000 h aged steel was comparable with that of 5000 h aged steel due to enhanced precipitation of fine M23C6 in the steel due to enhanced mobility of carbon in the absence of tungsten in the matrix.

Size versus electronic factors in transition metal carbide and TCP phase stability

NASA Astrophysics Data System (ADS)

Pettifor, D. G.; Seiser, B.; Margine, E. R.; Kolmogorov, A. N.; Drautz, R.

2013-09-01

The contributions of atomic size and electronic factors to the structural stability of transition metal carbides and topologically close-packed (TCP) phases are investigated. The hard-sphere model that has been used by Cottrell to rationalize the occurrence of the octahedral and trigonal local coordination polyhedra within the transition metal carbides is shown to have limitations in TiC since density functional theory (DFT) predicts that the second most metastable phase closest to the B1 (NaCl) ground state takes the B? (BN) structure type with 5-atom local coordination polyhedra with very short Ti-C bond lengths. The importance of electronic factors in the TCP phases is demonstrated by DFT predictions that the A15, ? and ? phases are stabilized between groups VI and VII of the elemental transition metals, whereas the ? and Laves phases are destabilized. The origin of this difference is related to the bimodal shape parameter of the electronic density of states by using the bond-order potential expansion of the structural energy within a canonical tight-binding model. The importance of the size factor in the TCP phases is illustrated by the DFT heats of formation for the binary systems Mo-Re, Mo-Ru, Nb-Re and Nb-Ru which show that the ? and Laves phases become more and more stable compared to A15, ? and ? as the size factor increases from Mo-Re through to Nb-Ru.

Microstructure and Mechanical Properties of Laves Phase-strengthened Fe-Cr-Zr Alloys

DOE PAGES

Tan, Lizhen; Yang, Ying

2014-12-05

Laves phase-reinforced alloys have shown some preliminary promising performance at room temperatures. This paper aims at evaluating mechanical properties of Laves phase-strengthened alloys at elevated temperatures. Three Fe-Cr-Zr alloys were designed to favor the formation of eutectic microstructures containing Laves and body-centered cubic phases with the aid of thermodynamic calculations. Microstructural characterization was carried out on the alloys in as-processed and aged states using optical microscopy, scanning electron microscopy, energy-dispersive X-ray spectroscopy, and X-ray diffraction. The effect of thermal aging and alloy composition on microstructure has been discussed based on microstructural characterization results. Mechanical properties have been evaluated by meansmore » of Vickers microhardness measurements, tensile testing at temperatures up to 973.15 K (700.15 °C), and creep testing at 873.15 K (600.15 °C) and 260 MPa. Alloys close to the eutectic composition show significantly superior strength and creep resistance compared to P92. Finally, however, their low tensile ductility may limit their applications at relatively low temperatures.« less

Evaluation of Zr(Ni, Mn){sub 2} Laves phase alloys as negative active material for Ni-MH electric vehicle batteries

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

Knosp, B.; Jordy, C.; Blanchard, P.

1998-05-01

Laves phase alloys of compositions (Zr, Ti)(Ni, Mn, M){sub x} where M = Cr, V, Co, Al, and 1.9 < x < 2.1 with hexagonal C14 or cubic C15 structure have been studied in order to select the most suitable AB{sub 2} alloys as an active material for nickel-metal hydride (Ni-MH) batteries. With the selected alloy, feasibility of MH negative electrodes using industrial technology and containing more than 97% of the alloy powder has been demonstrated. 22 Ah Ni-MH batteries for electric vehicle application have been assembled, and 600 cycles have been achieved at steady C/3 charge and discharge ratesmore » and 80% depth of discharge.« less

A DFT study of thermodynamic properties of C36 and C14 Fe2Zr Laves phases

NASA Astrophysics Data System (ADS)

Ali, Kawsar; Ghosh, P. S.; Arya, A. K.

2018-04-01

Fe-Zr alloys are promising materials for metallic waste immobilization in nuclear industry. C36 and C14 Fe2Zr Laves phases are frequently observed in Fe-Zr alloys that can host radionuclides. The phonon dispersions of C36 and C14 Fe2Zr Laves phases shows that both intermetallics are dynamically stable. The Helmholtz free energy, vibrational entropy, internal energy and specific heat at constant volume has been calculated. The zero point energies of C36 and C14 phases are 9.23 and 9.91 kJ/mole, respectively. The vibrational free energy becomes negative at 250 K and 270 K. The high temperature specific heat at constant volume of both intermetallics is 74 J/K/mole.

Heterogeneous Creep Deformations and Correlation to Microstructures in Fe-30Cr-3Al Alloys Strengthened by an Fe 2Nb Laves Phase

DOE PAGES

Shassere, Benjamin; Yamamoto, Yukinori; Poplawsky, Jonathan; ...

2017-08-07

We have develooped a new Fe-Cr-Al (FCA) alloy system with good oxidation resistance and creep strength at high temperature. The alloy system is a candidate for use in future fossil-fueled power plants. The creep strength of these alloys at 973 K (700 °C) was found to be comparable with traditional 9 pct Cr ferritic–martensitic steels. A few FCA alloys with general composition of Fe-30Cr-3Al-.2Si-xNb (x = 0, 1, or 2) with a ferrite matrix and Fe 2Nb-type Laves precipitates were prepared. The detailed microstructural characterization of samples, before and after creep rupture testing, indicated precipitation of the Laves phase withinmore » the matrix, Laves phase at the grain boundaries, and a 0.5 to 1.5 μm wide precipitate-free zone (PFZ) parallel to all the grain boundaries. In these alloys, the areal fraction of grain boundary Laves phase and the width of the PFZ controlled the cavitation nucleation and eventual grain boundary ductile failure. Finally, we used a phenomenological model to compare the creep strain rates controlled by the effects of the particles on the dislocations within the grain and at grain boundaries. (The research sponsored by US-DOE, Office of Fossil Energy, the Crosscutting Research Program).« less

Manipulating the stability of crystallographic and magnetic sub-lattices: A first-order magnetoelastic transformation in transition metal based Laves phase

DOE PAGES

Yibole, H.; Pathak, A. K.; Mudryk, Y.; ...

2018-05-24

A first-order magnetoelastic transition (FOMT) is found near the triple point between ferromagnetic, antiferromagnetic and paramagnetic phases in the magneto-chemical phase diagram of (Hf1-xNbx)Fe2 Laves phase system. We show that bringing different magnetic states to the edge of stability, both as a function of the chemical composition and under the influence of external stimuli, such as temperature, pressure and magnetic field, is essential to obtain and control FOMTs. Temperature dependent X-ray diffraction experiments reveal a discontinuity in the lattice parameter a and the unit cell volume without the change in the crystal symmetry at the FOMT. Under applied pressure, themore » transition temperature drastically shifts downward at a remarkable rate of –122 K/GPa. It is this first-order magnetic transition that leads to a negative thermal expansion (NTE) with average ΔV/(VΔT) ≈ –15 × 10 –6 K –1 observed over a 90 K broad temperature range, which is uncommon for magnetoelastic NTE materials. Density functional theory calculations and microstructural analyses demonstrate that the unusual broadness of the FOMT originates from phase separation between ferro- and antiferromagnetic phases, which in turn is rooted in partial segregation of Hf and Nb and a peculiar microstructure. In conclusion, this new understanding of the composition-structure-property relationships in transition metal based Laves phases is an essential step toward a better control and more precise tailoring of rich functionalities in this group of material.« less

Manipulating the stability of crystallographic and magnetic sub-lattices: A first-order magnetoelastic transformation in transition metal based Laves phase

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

Yibole, H.; Pathak, A. K.; Mudryk, Y.

A first-order magnetoelastic transition (FOMT) is found near the triple point between ferromagnetic, antiferromagnetic and paramagnetic phases in the magneto-chemical phase diagram of (Hf1-xNbx)Fe2 Laves phase system. We show that bringing different magnetic states to the edge of stability, both as a function of the chemical composition and under the influence of external stimuli, such as temperature, pressure and magnetic field, is essential to obtain and control FOMTs. Temperature dependent X-ray diffraction experiments reveal a discontinuity in the lattice parameter a and the unit cell volume without the change in the crystal symmetry at the FOMT. Under applied pressure, themore » transition temperature drastically shifts downward at a remarkable rate of –122 K/GPa. It is this first-order magnetic transition that leads to a negative thermal expansion (NTE) with average ΔV/(VΔT) ≈ –15 × 10 –6 K –1 observed over a 90 K broad temperature range, which is uncommon for magnetoelastic NTE materials. Density functional theory calculations and microstructural analyses demonstrate that the unusual broadness of the FOMT originates from phase separation between ferro- and antiferromagnetic phases, which in turn is rooted in partial segregation of Hf and Nb and a peculiar microstructure. In conclusion, this new understanding of the composition-structure-property relationships in transition metal based Laves phases is an essential step toward a better control and more precise tailoring of rich functionalities in this group of material.« less

Investigation of the physical properties of two Laves phase compounds HRh2 (H = Ca and La): A DFT study

NASA Astrophysics Data System (ADS)

Rahaman, Md. Zahidur; Rahman, Md. Atikur

2018-05-01

By using the first-principle calculations, the structural, elastic, electronic and optical properties of Laves phase intermetallic compounds CaRh2 and LaRh2 prototype with MgCu2 are investigated. The evaluated lattice parameters are consistent with the experimental values. The important elastic properties, such as bulk modulus B, shear modulus G, Young’s modulus Y and the Poisson’s ratio v, are computed by applying the Voigt-Reuss-Hill (VRH) approximation. The analysis of Pugh’s ratio exhibits the ductile nature of both the phases. Electronic conductivity is predicted for both the compounds. Most of the contribution comes from Rh-4d states. The study of bonding characteristics reveals the existence of ionic and metallic bonds in both intermetallics. The study of optical properties indicates that CaRh2 is a better dielectric material than LaRh2. Absorption quality of both the phases is good in the ultraviolet region.

In situ investigation of working battery electrodes using synchrotron x-ray diffraction

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

Jisrawi, N.M.; Thurston, T.R.; Yang, X.Q.

The results of an in situ investigation of the structural changes that occur during the operation of working battery electrodes using synchrotron radiation are presented. Two types of electrodes were investigated: an AB{sub 2}-type Laves phase alloy anode with the composition Zr{sub x}Ti{sub 1-x}M{sub 2} and a proprietary cell based on a Li{sub x}Mn{sub 2}O{sub 4} spinel compound cathode made by Gould electronics. For the Laves phase alloy compositions with x=0.25 and 0.5 and M=V{sub 0.5}N{sub 1.1}Mn{sub 0.2}Fe{sub 0.2} were examined. Cells made from two different batches of Li{sub x}Mn{sub 2}O{sub 4} material were investigated. The relationships between battery performancemore » and structural changes will be discussed. In the later case, we also discuss the role of over-discharging on the Li{sub x}Mn{sub 2}O{sub 4} structure and on battery operation.« less

Microstructure Development in Electron Beam-Melted Inconel 718 and Associated Tensile Properties

DOE PAGES

Kirka, M. M.; Unocic, K. A.; Raghavan, N.; ...

2016-02-12

During the electron beam melting (EBM) process, builds occur at temperatures in excess of 800°C for nickel-base superalloys such as Inconel 718. When coupled with the temporal differences between the start and end of a build, a top-to-bottom microstructure gradient forms. Characterized in this study is the microstructure gradient and associated tensile property gradient that are common to all EBM Inconel 718 builds. From the characteristic microstructure elements observed in EBM Inconel 718 material, the microstructure gradient can be classified into three distinct regions. Region 1 (top of a build) and is comprised of a cored dendritic structure that includesmore » carbides and Laves phase within the interdendritic regions. Region 2 is an intermediate transition zone characterized by a diffuse dendritic structure, dissolution of the Laves phase, and precipitation of δ needle networks within the interdendritic regions. The bulk structure (Region 3) is comprised of a columnar grain structure lacking dendritic characteristics with δ networks having precipitated within the grain interiors. Mechanically at both 20°C and 650° C, the yield strength, ultimate tensile strength, and elongation at failure exhibit the general trend of increasing with increasing build height.« less

Sintered rare earth-iron Laves phase magnetostrictive alloy product and preparation thereof

DOEpatents

Malekzadeh, Manoochehr; Pickus, Milton R.

1979-01-01

A sintered rare earth-iron Laves phase magnetostrictive alloy product characterized by a grain oriented morphology. The grain oriented morphology is obtained by magnetically aligning powder particles of the magnetostrictive alloy prior to sintering. Specifically disclosed are grain oriented sintered compacts of Tb.sub.x Dy.sub.1-x Fe.sub.2 and their method of preparation. The present sintered products have enhanced magnetostrictive properties.

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.

Effect of prior deformation on microstructural development and Laves phase precipitation in high-chromium stainless steel.

PubMed

Hsiao, Z-W; Chen, D; Kuo, J-C; Lin, D-Y

2017-04-01

This study investigated the influence of deformation on precipitation behaviour and microstructure change during annealing. Here, the prior deformation of high-chromium stainless steel was tensile deformation of 3%, 6% and 10%, and the specimens were then annealed at 700˚C for 10 h. The specimens were subsequently analyzed using backscattered electron image and electron backscattering diffraction measurements with SEM. Compared with the deformation microstructure, the grains revealed no preferred orientation. The precipitates of TiN and NbC were formed homogenously in the grain interior and at grain boundaries after annealing. Fine Laves phase precipitates were observed in grains and along subgrain boundaries as the deformation increased. Furthermore, the volume fraction of Laves phase increased, but the average particle diameter of precipitate was reduced as the deformation increased. © 2017 The Authors Journal of Microscopy © 2017 Royal Microscopical Society.

Laves phase UTi2 stabilized by hydrogen and its magnetic properties

NASA Astrophysics Data System (ADS)

Buturlim, V.; Havela, L.; Sowa, S.; Kim-Ngan, N.-. T. H.; Paukov, M.; Drozdenko, D.; Dopita, M.; Minarik, P.; Mašková, S.

2018-05-01

We describe basic magnetic properties of uranium-based hydrides UTi2Hx, reported in literature as a cubic Laves phase, although the UTi2 binary phase does not exist. Using a high-temperature hydrogenation, we successfully synthesized two types of such hydrides, presumably with different H concentrations, one with a smaller lattice parameter a = 850.3 pm, which is a paramagnet close to the verge of magnetic ordering, the other with a = 858.8 pm, with a ferromagnetic ground state and ordering temperature TC = 54 K.

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

Shassere, Benjamin; Yamamoto, Yukinori; Poplawsky, Jonathan

We have develooped a new Fe-Cr-Al (FCA) alloy system with good oxidation resistance and creep strength at high temperature. The alloy system is a candidate for use in future fossil-fueled power plants. The creep strength of these alloys at 973 K (700 °C) was found to be comparable with traditional 9 pct Cr ferritic–martensitic steels. A few FCA alloys with general composition of Fe-30Cr-3Al-.2Si-xNb (x = 0, 1, or 2) with a ferrite matrix and Fe 2Nb-type Laves precipitates were prepared. The detailed microstructural characterization of samples, before and after creep rupture testing, indicated precipitation of the Laves phase withinmore » the matrix, Laves phase at the grain boundaries, and a 0.5 to 1.5 μm wide precipitate-free zone (PFZ) parallel to all the grain boundaries. In these alloys, the areal fraction of grain boundary Laves phase and the width of the PFZ controlled the cavitation nucleation and eventual grain boundary ductile failure. Finally, we used a phenomenological model to compare the creep strain rates controlled by the effects of the particles on the dislocations within the grain and at grain boundaries. (The research sponsored by US-DOE, Office of Fossil Energy, the Crosscutting Research Program).« 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

Accelerated Exploration of Multi-principal Element Alloys for Structural Applications (Postprint)

DTIC Science & Technology

2015-04-27

SS phases (BCC, HCP and FCC), three silicide phases (M5Si3, M5Si4 and M3Si3), an ordered B2 phase, and two Laves phases (C14 and C15). In total, 453...alloys containing silicide phases (M5Si3, M5Si4, and M3Si2) is probably due to very negative, often below 50 kJ/mol [51 53] enthalpies of formation of...The majority of equiatomic alloys containing two or more phases are (SSþ IM) alloys.5. BCC, HCP and FCC SS phases, three silicide phases (M5Si3, M5Si4

Creep and precipitation behaviors of AL6XN austenitic steel at elevated temperatures

NASA Astrophysics Data System (ADS)

Meng, L. J.; Sun, J.; Xing, H.

2012-08-01

Creep behaviors of the solution-treated AL6XN austenitic stainless steel have been investigated at 873-1023 K and 120-260 MPa. The results showed that the creep stress exponent and activation energy of the AL6XN steel are 5 and 395.4 kJ/mol, respectively in the power-law breakdown regime. TEM observations revealed that dislocations distributed homogenously in grains. The creep deformation mechanism is mainly attributed to viscous dislocation glide. Precipitates in the steel after creep deformation were additionally analyzed by TEM, and the results showed that there are four different types of precipitates, such as M23C6, M6C, σ phase and Laves phase. The M23C6 carbides were observed at grain boundaries in the steel after creep at 873 K. The M6C, σ phase and Laves phase precipitates were found when the creep temperature increases to 923-1023 K. Although the AL6XN steel exhibited low steady state creep rates, a high volume fraction of brittle precipitates of σ and Laves phases reduced the creep lifetime of the steel at elevated temperatures.

Hydridable material for the negative electrode in a nickel-metal hydride storage battery

DOEpatents

Knosp, Bernard; Bouet, Jacques; Jordy, Christian; Mimoun, Michel; Gicquel, Daniel

1997-01-01

A monophase hydridable material for the negative electrode of a nickel-metal hydride storage battery with a "Lave's phase" structure of hexagonal C14 type (MgZn.sub.2) has the general formula: Zr.sub.1-x Ti.sub.x Ni.sub.a Mn.sub.b Al.sub.c Co.sub.d V.sub.e where ##EQU1##

PSEUDO-BINARY SYSTEMS INVOLVING RARE EARTH LAVES PHASES

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

Wernick, J.H.; Haszko, S.E.; Dorsi, D.

1962-06-01

The phase relations in a number of pseudo-binary systems involving rare earth Laves phases were determined. Complete series of cubic solid-solutions occur in the DyMn/sub 2/HoMn/sub 2/, HoMn/sub 2/-HoFe/sub 2/, DyMn/sub 2/-DyFe/ sub 2/, HoMn/sub 2/-HoAl/ sub 2/, TbMn/sub 2/TbAl/sub 2/, and DyMn/sub 2/-DyAl/ sub 2/ pseudobinary systems. Deviations from linearity in the lattice constants with composition occur in all these systems. Complete series of cubic solidsolutions also exist in the GdAl/sub 2/-ErAl/sub 2/, GdAl/sub 2/-PrAl/sub 2/ , GdAl/sub 2/-NdAl/sub 2/, GdAl/sub 2/-DyAl/sub 2/, TbAl/sub 2/-NdAl/sub 2/, and T bAl/sub 2/-DyAl/sub 2/ systems. For these systems, no deviation from linearitymore » occurs in the lattice constants. For the DyFe/sub 2/-DyAl/sub 2/ and DyCo/sub 2/- DyAl/sub 2/ systems, two new ternary phases, DyFeAl and DyCoAl, form and have the MgZn/sub 2/ structure. Their structures were determined from x-ray powder data only. The electronic state giving rise to the formation of these ternary phases is discussed qualitatively. For the DyMn/sub 2/TmMn/sub 2/ system, the range of composition in which the cubic MgCu/sub 2/ and hexagonal MgZn/sub 2/ structures exist are reported. No complete series of solid solutions or intermediate phases are formed in the DyNi/sub 2/-DyAl/sub 2/ system. (auth)« less

Magnetostructural phase transitions and magnetocaloric effect in Tb-Dy-Ho-Co-Al alloys with a Laves phase structure

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

Tereshina, I. S., E-mail: irina-tereshina@mail.ru; Baikov Institute of Metallurgy and Material Sciences, Russian Academy of Sciences, Moscow 119991; International Laboratory of High Magnetic Fields and Low Temperatures, Wroclaw 53-421

2016-07-07

The influence of simultaneous substitution within the rare earth (R) and Co sublattices on the structural, magnetic, and magnetocaloric properties of the Laves phase RCo{sub 2}-type compounds is studied. Main attention is devoted to the studies of the magnetostructural phase transitions and the transition types with respect to the alloy composition. Multicomponent alloys Tb{sub x}(Dy{sub 0.5}Ho{sub 0.5}){sub 1−x}Co{sub 2} and Tb{sub x}(Dy{sub 0.5}Ho{sub 0.5}){sub 1−x}Co{sub 1.75}Al{sub 0.25} were prepared with the use of high purity metals. Majority of the Tb{sub x}(Dy{sub 0.5}Ho{sub 0.5}){sub 1−x}Co{sub 2} alloys exhibit magnetic transitions of the first-order type and a large magnetocaloric effect. The substitutionmore » of Al for Co in Tb{sub x}(Dy{sub 0.5}Ho{sub 0.5}){sub 1−x}Co{sub 2} increases the Curie temperature (T{sub C}) but changes the transition type from first-to the second-order. The discussion of the physical mechanisms behind the observed phenomena is given on the basis of the first principles electronic-structure calculations taking into account both the atomic disorder and the magnetic disorder effects at finite temperatures. The advantage of Al-containing materials is that sufficiently high magnetocaloric effect values are preserved at T > T{sub C}.« less

Study of the mechanical behavior of the hydride blister/rim structure in Zircaloy-4 using in-situ synchrotron X-ray diffraction

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

Lin, Jun-li; Han, Xiaochun; Heuser, Brent J.

2016-04-01

High-energy synchrotron X-ray diffraction was utilized to study the mechanical response of the f.c.c delta hydride phase, the intermetallic precipitation with hexagonal C14 lave phase and the alpha-Zr phase in the Zircaloy-4 materials with a hydride rim/blister structure near one surface of the material during in-situ uniaxial tension experiment at 200 degrees C. The f.c.c delta was the only hydride phase observed in the rim/blister structure. The conventional Rietveld refinement was applied to measure the macro-strain equivalent response of the three phases. Two regions were delineated in the applied load versus lattice strain measurement: a linear elastic strain region andmore » region that exhibited load partitioning. Load partitioning was quantified by von Mises analysis. The three phases were observed to have similar elastic modulus at 200 degrees C.« less

Ab-initio study of C15-type Laves phase superconductor LaRu2

NASA Astrophysics Data System (ADS)

Kholil, Md. Ibrahim; Islam, Md. Shahinur; Rahman, Md. Atikur

2017-01-01

Structural, elastic, electronic, optical, thermodynamic, and superconducting properties of the Laves phase superconductor LaRu2 with Tc 1.63 K were investigated using the first-principles calculations for the first time. The corresponding evaluated structural parameters are in good agreement with the available theoretical values. The different elastic properties like as, elastic constants, bulk modulus B, shear modulus G, Young's modulus E, and Poisson ratio ν were calculated using the Voigt-Reuss-Hill approximation. The ductility nature appears in both values of Cauchy pressure and Pugh's ratio. The band structure and Cauchy pressure shows that the material behaves metallic nature. The calculated total density of state is 6.80 (electrons/eV) of LaRu2. The optical properties such as reflectivity, absorption spectrum, refractive index, dielectric function, conductivity, and energy loss spectrum are also calculated. The photoconductivity reveals the metallic nature of LaRu2 and absorption coefficient is good in the infrared region. The evaluated density and Debye temperature are 9.55 gm/cm3 and 110.51 K, respectively. In addition, the study of thermodynamic properties like as minimum thermal conductivity, melting temperature, and Dulong-Petit limit are 0.26 (Wm-1 K-1), 1,471.65 K, and 74.80 (J/mole K), respectively. Finally, the investigated electron-phonon coupling constant is 0.66 of LaRu2 superconductor.

MAGNETIC PROPERTIES OF RARE EARTH ALUMINUM COMPOUNDS WITH MgCu$sub 2$ STRUCTURE

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

Williams, H.J.; Wernick, J.H.; Nesbitt, E.A.

1962-03-01

The magnetic moments of some RAl/sub 2/ (R = rare earth element) cubic Laves phase compounds were measured at temperatures from 1.4 to 300 deg K. The measurements indicate that the spin moments of the rare earth ions are coupled ferromagnetically. The Curie points of the RAl/sub 2/ compounds are found to be uniformly higher than the corresponding Laves compounds, ROs/sub 2/, Rlr/sub 2/ and RRu/sub 2/. Solid solutions of some of the compounds were also investigated. For example, in the Gd/sub x/Pr/sub (1-x)/Al/sub 2/ compounds, the magnetic moments of the Gd ions are antiparallel to those of the Prmore » ions because J is antiparallel to S in the ground state of the Pr ion. Compensation points were observed in this system. (auth)« less

Composition anisotropy compensation and magnetostriction of Co-doped Laves compounds Tb0.2Dy0.8-xPrxFe1.93 (0 ≤ x ≤ 0.40)

NASA Astrophysics Data System (ADS)

Li, F.; Liu, J. J.; Zhu, X. Y.; Shen, W. C.; Lin, L. L.; Du, J.; Si, P. Z.

2018-07-01

Alloys of Tb0.2Dy0.8-xPrx(Fe0.8Co0.2)1.93 (0 ≤ x ≤ 0.40) are arc melted and investigated for structural, magnetic and magnetoelastic properties by means of X-ray diffraction (XRD), a vibrating sample magnetometer and a standard strain technique. The 20 at.% Co substitution for Fe is shown to enable the formation of the single Laves phase with a high Pr content up to x = 0.25. Experimental evidence for magnetocrystalline-anisotropy compensation between Pr3+ and Dy3+ ions is obtained in the Laves phase system. The easy magnetization direction (EMD) at room temperature rotates from <100> to <110> axis when x increases from 0 to 0.40. The linear anisotropic magnetostriction λa (=λ||-λ⊥) increases with increasing Pr content when x ≤ 0.25 ascribed to both the larger magnetostriction of PrFe2 than that of DyFe2 and the decrease of the resulted anisotropy due to compensation. The composition anisotropy compensation is found to be around x = 0.25, shifting to the Pr-rich side at room temperature as compared to the Co-free counterpart Tb0.2Dy0.8-xPrxFe1.93 system. The Tb0.2Dy0.55Pr0.25(Fe0.8Co0.2)1.93 alloy has good magnetoelastic properties at room temperature, that is, a low anisotropy and a high low-field magnetostriction λa ∼140 ppm at 1 kOe.

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

Data on a Laves phase intermetallic matrix composite in situ toughened by ductile precipitates.

PubMed

Knowles, Alexander J; Bhowmik, Ayan; Purkayastha, Surajit; Jones, Nicholas G; Giuliani, Finn; Clegg, William J; Dye, David; Stone, Howard J

2017-10-01

The data presented in this article are related to the research article entitled "Laves phase intermetallic matrix composite in situ toughened by ductile precipitates" (Knowles et al.) [1]. The composite comprised a Fe 2 (Mo, Ti) matrix with bcc (Mo, Ti) precipitated laths produced in situ by an aging heat treatment, which was shown to confer a toughening effect (Knowles et al.) [1]. Here, details are given on a focused ion beam (FIB) slice and view experiment performed on the composite so as to determine that the 3D morphology of the bcc (Mo, Ti) precipitates were laths rather than needles. Scanning transmission electron microscopy (S(TEM)) micrographs of the microstructure as well as energy dispersive X-ray spectroscopy (EDX) maps are presented that identify the elemental partitioning between the C14 Laves matrix and the bcc laths, with Mo rejected from the matrix into laths. A TEM selected area diffraction pattern (SADP) and key is provided that was used to validate the orientation relation between the matrix and laths identified in (Knowles et al.) [1] along with details of the transformation matrix determined.

Design of Novel Precipitate-Strengthened Al-Co-Cr-Fe-Nb-Ni High-Entropy Superalloys

NASA Astrophysics Data System (ADS)

Antonov, Stoichko; Detrois, Martin; Tin, Sammy

2018-01-01

A series of non-equiatomic Al-Co-Cr-Fe-Nb-Ni high-entropy alloys, with varying levels of Co, Nb and Fe, were investigated in an effort to obtain microstructures similar to conventional Ni-based superalloys. Elevated levels of Co were observed to significantly decrease the solvus temperature of the γ' precipitates. Both Nb and Co in excessive concentrations promoted the formation of Laves and NiAl phases that formed either during solidification and remained undissolved during homogenization or upon high-temperature aging. Lowering the content of Nb, Co, or Fe prevented the formation of the eutectic type Laves. In addition, lowering the Co content resulted in a higher number density and volume fraction of the γ' precipitates, while increasing the Fe content led to the destabilization of the γ' precipitates. Various aging treatments were performed which led to different size distributions of the strengthening phase. Results from the microstructural characterization and hardness property assessments of these high-entropy alloys were compared to a commercial, high-strength Ni-based superalloy RR1000. Potentially, precipitation-strengthened high-entropy alloys could find applications replacing Ni-based superalloys as structural materials in power generation applications.

Characterization of α-Fe-Free Heteroepitaxial NdFe12- x Ti x Thin-Film Materials with a Novel Cubic Laves Fe2Ti Phase

NASA Astrophysics Data System (ADS)

Hadorn, Jason Paul; Hirayama, Yusuke; Ohkubo, Tadakatsu

2018-01-01

Thin films with compositions of NdFe12 and NdFe11Ti1 were fabricated on W-buffered MgO(001) substrates of varying roughness. In this study, X-ray diffraction (XRD) and transmission electron microscopy (TEM) were used to characterize the films microstructurally, chemically, and crystallographically. This study revealed successful heteroepitaxial synthesis of the tetragonal NdFe12 and NdFe12- x Ti x phases in the Ti-free and Ti-containing films, respectively, both with surface-normal c-axis orientation. It also revealed the presence of other phases within the magnetic layer. The NdFe12 films contained many α-Fe particles, which preferentially precipitated at locally rough regions of the W-buffer interface. The NdFe11Ti1 film showed the ubiquitous presence of an Fe2Ti phase, which covered most of the buffer thereby preventing the formation of α-Fe. This phase was determined to have a novel Cu2Mg-type cubic Laves ( C15) crystal structure with fourfold interfacial symmetry, good coherency, and a low mismatch with the W-buffer, thus rendering itself as being an ideal interface for the heteroepitaxial synthesis of NdFe12- x Ti x crystals. It is proposed that successful application of a cubic Fe2Ti underlayer on W can contribute to the development of a fabrication strategy for NdFe12 thin films without the presence of soft magnetic α-Fe.

Effect of stresses on the structural changes in high-chromium steel upon creep

NASA Astrophysics Data System (ADS)

Fedoseeva, A. E.; Dudova, N. R.; Kaibyshev, R. O.

2017-06-01

The effect of stresses on the microstructure and dispersed particles in a heating-performance Fe‒0.12C-0.06Si-0.04Ni-0.2Mn-9.5Cr-3.2Co-0.45Mo-3.1W-0.2V-0.06Nb-0.005B-0.05N (wt %) steel has been studied under long-term strength tests at T = 650°C under initial applied stresses ranging from 220 to 100 MPa with a step of 20 MPa. Under an applied stress of 160 MPa, which corresponds to a time to fracture of 1703 h, a transfer from short- to long-term creep takes place. It has been shown that alloying with 3% Co and an increase in W content to 3% significantly increase the short-term creep resistance and slightly increase the long-term strength upon tests by more than 104 h. The transfer from short- to the long-term creep is accompanied by substantial changes in the microstructure of the steel. Under long-term creep, the solid solution became depleted of tungsten and of molybdenum down to the thermodynamically equilibrium content of these elements in the solid solution, which leads to the precipitation of a large amount of fine particles of the Laves phase at the boundaries of laths and prior austenitic grains. At a time to fracture of more than 4 × 103 h, the coalescence of the M23C6 carbides and Laves-phase particles occurs, which causes the transformation of the structure of fine tempered martensite lath structure into a subgrained structure.

The hardness, microstructure, and pitting resistance of austenitic stainless steel Fe25Ni15Cr with the addition of tungsten, niobium, and vanadium

NASA Astrophysics Data System (ADS)

Prifiharni, Siska; Anwar, Moch. Syaiful; Nikitasari, Arini; Mabruri, Efendi

2018-05-01

In this work, the effect of 2% W, 1%Nb, and 1% V addition on the hardness, microstructure, and pitting resistance to austenitic stainless steel Fe25Ni15Cr was investigated. The specimens were prepared in induction melting furnace, followed by homogenizing at 1100°C for 24 h. Then, the specimens were solution treated at 975°C for 2 h followed by water quenching and aging at 725°C for 15 h. The hardness was measured by using Rockwell hardness B, and metallographic observation was conducted using optical microscope and SEM-EDS. The results show that the increament of W, Nb, and V in the austenitic stainless steel Fe25Ni15Crby increased the hardness. The metal carbide precipitation occurred at grain boundaries in niobium free alloy. The addition of Nb in the alloy promotes the Laves phase transformation, and addition of V increase Nb content in the Laves phase. Laves phase formation in alloys containing niobium during aging heat treatments lead to an increase in hardness. Addition of W, Nb, and V also increase pitting resistance of the Fe25Ni15Cr austenitic stainless steel. This can be attributed to an increasing level of niobium in the matrix.

Predictions of thermomagnetic properties of Laves phase compounds: TbAl2, GdAl2 and SmAl2 performed with ATOMIC MATTERS MFA computation system

NASA Astrophysics Data System (ADS)

Michalski, Rafał; Zygadło, Jakub

2018-04-01

Recent calculations of properties of TbAl2 GdAl2 and SmAl2 single crystals, performed with our new computation system called ATOMIC MATTERS MFA are presented. We applied localized electron approach to describe the thermal evolution of Fine Electronic Structure of Tb3+, Gd3+ and Sm3+ ions over a wide temperature range and estimate Magnetocaloric Effect (MCE). Thermomagnetic properties of TbAl2, GdAl2 and SmAl2 were calculated based on the fine electronic structure of the 4f8, 4f7 and 4f5 electronic configuration of the Tb3+ and Gd3+ and Sm3+ ions, respectively. Our calculations yielded: magnetic moment value and direction; single-crystalline magnetization curves in zero field and in external magnetic field applied in various directions m(T,Bext); the 4f-electronic components of specific heat c4f(T,Bext); and temperature dependence of the magnetic entropy and isothermal entropy change with external magnetic field - ΔS(T,Bext). The cubic universal CEF parameters values used for all CEF calculations was taken from literature and recalculated for universal cubic parameters set for the RAl2 series: A4 = +7.164 Ka04 and A6 = -1.038 Ka06. Magnetic properties were found to be anisotropic due to cubic Laves phase C15 crystal structure symmetry. These studies reveal the importance of multipolar charge interactions when describing thermomagnetic properties of real 4f electronic systems and the effectiveness of an applied self-consistent molecular field in calculations for magnetic phase transition simulation.

Local magnetic moment formation at 119Sn Mössbauer impurity in RCo2 (R=Gd,Tb,Dy,Ho,Er) Laves phase compounds

NASA Astrophysics Data System (ADS)

de Oliveira, A. L.; de Oliveira, N. A.; Troper, A.

2008-04-01

In this work, we theoretically study the local magnetic moment formation and the systematics of the magnetic hyperfine fields at a Mösbauer Sn119 impurity diluted at the R site (R=Gd,Tb,Dy,Ho,Er) of the cubic Laves phase intermetallic compounds RCo2. One considers that the magnetic hyperfine fields have two contributions, (i) the contribution from R ions, calculated via an extended Daniel-Friedel [J. Phys. Chem. Solids 24, 1601 (1963)] model, and (ii) the contribution from the induced magnetic moments arising from the Co neighboring sites. Our calculated self-consistent total magnetic hyperfine fields are in a good agreement with recent experimental data.

Electronic properties of Laves phase ZrFe{sub 2} using Compton spectroscopy

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

Bhatt, Samir, E-mail: sameerbhatto11@gmail.com; Kumar, Kishor; Ahuja, B. L.

First-ever experimental Compton profile of Laves phase ZrFe{sub 2}, using indigenous 20 Ci {sup 137}Cs Compton spectrometer, is presented. To analyze the experimental electron momentum density, we have deduced the theoretical Compton profiles using density functional theory (DFT) and hybridization of DFT and Hartree-Fock scheme within linear combination of atomic orbitals (LCAO) method. The energy bands and density of states are also calculated using LCAO prescription. The theoretical profile based on local density approximation gives a better agreement with the experimental profile than other reported schemes. The present investigations validate the inclusion of correlation potential of Perdew-Zunger in predicting themore » electronic properties of ZrFe{sub 2}.« less

Survey of the Pagoda Timber Roof in Derneburg Castle

NASA Astrophysics Data System (ADS)

Perria, E.; Sieder, M.; Hoyer, S.; Krafczyk, C.

2017-05-01

The work analyses the historical roof of Derneburg Castle, in the municipality of Holle, Hildesheim's district, Lower Saxony, Germany. The roof is assembled according to Laves Balken's system (Laves beam's system), developed by the architect Georg Ludwig Friedrich Laves (1788-1864). The system has the peculiarity to consist of beams that are split along the half of the cross section, and maintained diverged by wooden wedges, distributed along the length of the beam. The system increases the height of the beam, and elevates the bending capacity of it (Weber, 1964). The work has been developed in the frame of an interdisciplinary project in the fields of architecture, engineering and photogrammetry. Main aim of the project is the developing of a structural model to understand the load-carrying capacity of Laves Balken's system from the laser-scanning model. For this reason, extensive surveys and photo documentation were collected on three areas of the roof construction, characterized by three peculiar usage of Laves Balken's system. The work presents the survey of the pagoda-roof that covers the tower of the castle, and problems that can be encountered during the survey of very complex timber constructions.

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

Tan, Lizhen; Yang, Ying; Chen, Tianyi

Advanced nuclear reactors as well as the life extension of light water reactors require advanced alloys capable of satisfactory operation up to neutron damage levels approaching 200 displacements per atom (dpa). Extensive studies, including fundamental theories, have demonstrated the superior resistance to radiation-induced swelling in ferritic steels, primarily inherited from their body-centered cubic (bcc) structure. This study aims at developing nanoprecipitates strengthened advanced ferritic alloys for advanced nuclear reactor applications. To be more specific, this study aims at enhancing the amorphization ability of some precipitates, such as Laves phase and other types of intermetallic phases, through smart alloying strategy, andmore » thereby promote the crystalline®amorphous transformation of these precipitates under irradiation.« less

The Effect of Nb Addition on the Microstructure and the High-Temperature Strength of Fe3Al Aluminide

NASA Astrophysics Data System (ADS)

Kratochvíl, Petr; Švec, Martin; Král, Robert; Veselý, Jozef; Lukáč, Pavel; Vlasák, Tomáš

2018-02-01

The microstructural and high-temperature mechanical properties of Fe-26Al-xNb (x = 3 and 5 at. pct) are compared. The alloys were investigated "as cast" and after hot rolling at 1473 K (1200 °C). Scanning electron microscopes equipped with EDS and EBSD were used for the microstructure and phase identification. The addition of 3 at. pct of Nb into the Fe3Al matrix leads to the formation of C14 λ—Laves phase (Fe,Al)2Nb (LP) particles spread in the Fe3Al matrix, while an eutectic with thin lamellae of LP C14 λ—Laves phase (Fe,Al)2Nb and matrix is also formed in the iron aluminide with 5 at. pct of Nb. The presence of incoherent precipitates is connected with the enhancement of the high-temperature strength and creep resistance.

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.

Comparative Studies on Microstructure, Mechanical and Pitting Corrosion of Post Weld Heat Treated IN718 Superalloy GTA and EB Welds

NASA Astrophysics Data System (ADS)

Dilkush; Mohammed, Raffi; Madhusudhan Reddy, G.; Srinivasa Rao, K.

2018-03-01

In the present study, an attempt has been made to weld Inconel 718 nickel-base superalloy (IN718 alloy) using gas tungsten arc welding (GTAW) and electron beam welding (EBW) processes. Both the weldments were subjected to post-weld heat treatment condition as follows -980°C / 20 min followed by direct aging condition (DA) as 720°C/8 h/FC followed by 620°C/8 h/AC. The GTA and EB welds of IN718 alloy were compared in two conditions as-received and 980STA conditions. Welds were characterized to observe mechanical properties, pitting corrosion resistance by correlating with observed microstructures. The rate of higher cooling ranges, the fusion zone of EBW exhibited discrete and relative finer lave phases whereas the higher niobium existed laves with coarser structure were observed in GTAW. The significant dissolution of laves were observed at 980STA of EBW. Due to these effects, the EBW of IN718 alloy showed the higher mechanical properties than GTAW. The electrochemical potentiostatic etch test was carried out in 3.5wt% sodium chloride (NaCl) solution to study the pitting corrosion behaviour of the welds. Results of the present investigation established that mechanical properties and pitting corrosion behaviour are significantly better in post weld heat treated condition. The comparative studies showed that the better combination of mechanical properties and pitting corrosion resistance were obtained in 980STA condition of EBW than GTAW.

Microstructural changes in cast martensitic steel after creep at 620°C

NASA Astrophysics Data System (ADS)

Borisova, Yu. I.; Dudko, V. A.; Skorobogatykh, V. N.; Shchenkova, I. A.; Kaibyshev, R. O.

2017-10-01

Microstructural changes in the cast steel GX12CrMoWVNbN10-1-1 (Fe-0.11 C-0.31 Si-0.89 Mn-9.57 Cr-0.66 Ni-1.01 Mo-1.00 W-0.21 V-0.06 Nb-0.05 Cu-0.05 N in wt %) have been investigated after tests for long-term strength at a temperature of 620°C in the range of stresses of 120-160 MPa. Upon short-term creep (up to 5000 h), the tempered troostite structure and distribution of particles of proeutectoid constituents change insignificantly, except for the precipitation of particles of the Laves phase ˜100 nm in size along boundaries of laths, blocks, packets, and initial austenite grains. Upon long-term creep (to 10000 h), the tempered troostite partially transforms into the subgrain structure, which is accompanied by a decrease in the dislocation density from 6.4 × 1014 to 3.1 × 1013 m-2 and connected with growth of sizes of M23C6 carbides of 105-150 nm and particles of the Laves phase to 380 nm, due to the dissolution of these particles located along path boundaries. Upon long-term creep, the average size of V(C,N) particles increases from 45 to 64 nm (while Nb(C,N) particles increase from 48 to 87 nm), and the Nb content in V-enriched carbonitrides and the V content in Nb-enriched M(C,N) particles substantially decrease. No formation of the Z phase has been revealed. The combination of M(C,N) nanoparticles with the presence of W in the solid solution has been found to be responsible for the enhanced high-temperature strength of the steel.

Effect of molybdenum additions on the microstructures and corrosion behaviours of 316L stainless steel-based alloys

DOE PAGES

Rahman, T.; Ebert, W. L.; Indacochea, J. E.

2018-02-28

Alloys were made by alloying 5, 10, 15, 17.5, and 20 wt % Mo with Type 316L stainless steel. Sigma phases containing 21–29 wt % Mo formed along the austenite grain boundaries with the addition of 5 wt % Mo and increased with additions up to 15 wt % Mo, but they decreased with further additions. Laves phases containing 33–40 wt % Mo co-precipitated at additions of 10 wt % Mo which increased with further Mo increases. The corrosion resistance, assessed by potentiodynamic polarisation in a 10 mM NaCl solution adjusted to pH 4, increased relative to Type 316L formore » alloys made with 5 and 10 wt % added Mo, but decreased with further additions due to preferential corrosion of the Laves phase. The alloy made with 10 wt % added Mo had the highest corrosion resistance due primarily to the high Mo content of the austenite.« less

Effect of molybdenum additions on the microstructures and corrosion behaviours of 316L stainless steel-based alloys

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

Rahman, T.; Ebert, W. L.; Indacochea, J. E.

Alloys were made by alloying 5, 10, 15, 17.5, and 20 wt % Mo with Type 316L stainless steel. Sigma phases containing 21–29 wt % Mo formed along the austenite grain boundaries with the addition of 5 wt % Mo and increased with additions up to 15 wt % Mo, but they decreased with further additions. Laves phases containing 33–40 wt % Mo co-precipitated at additions of 10 wt % Mo which increased with further Mo increases. The corrosion resistance, assessed by potentiodynamic polarisation in a 10 mM NaCl solution adjusted to pH 4, increased relative to Type 316L formore » alloys made with 5 and 10 wt % added Mo, but decreased with further additions due to preferential corrosion of the Laves phase. The alloy made with 10 wt % added Mo had the highest corrosion resistance due primarily to the high Mo content of the austenite.« less

The Ti-Mn system revisited: experimental investigation and thermodynamic modelling.

PubMed

Khan, A U; Brož, P; Premović, M; Pavlů, J; Vřeštál, J; Yan, X; Maccio, D; Saccone, A; Giester, G; Rogl, P

2016-08-17

As the Ti-Mn phase diagram is part of numerous ternary and higher order systems of technological importance, the present paper defines phase relations which have been experimentally established throughout this work from 800 °C to the melting range based on Differential Thermal Analyses (DTA), X-ray powder diffraction, metallography and Electron Probe Micro Analysis (EPMA) techniques on ∼50 alloys, which were prepared by arc melting or high frequency melting under high purity argon starting from freshly cleaned metal ingots. Novel compounds were identified and reaction isotherms were redefined accordingly. In the Ti-rich region a novel compound TiMn was detected, sandwiched between the known phases: TiMn1-x (∼45 at% Mn) and TiMn1+x (∼55 at% Mn). In the Mn-rich region the hitherto unknown crystal structure of TiMn∼3 was solved from X-ray single crystal diffraction data and found to be of a unique structure type Ti6(Ti1-xMnx)6Mn25 (x = 0.462; space group Pbam (#55); a = 0.79081(3) nm, b = 2.58557(9) nm, c = 0.47931(2) nm), which consists of two consecutive layers of the hexagonal MgZn2-type Laves phase (TiMn2) and a combined layer of alternate structure blocks of MgZn2 type and Zr4Al3 type. Whereas TiMn can be considered as a line compound (solubility range <∼1 at%), the homogeneity regions of the Ti-Mn compounds are significant (determined by EPMA): TiMn1-x (44.0 to 46.6 at% Mn), TiMn1+x (54.6 to 56.3 at% Mn), Ti1+xMn2-x (MgZn2-type, 59 to 69 at% Mn at 1000 °C: -0.08 < x < 0.23), TiMn∼3 (unique type; 74 to 76.5 at% Mn) and TiMn∼4 (R-phase: Ti8(TixMn1-x)6Mn39, 80 to 84 at% Ti). Supported by ab initio calculations of the ground state energy for the Laves phase, the new experimental results enabled thermodynamic modelling of the entire Ti-Mn phase diagram providing a complete and novel set of thermodynamic data thus providing a sound basis for future thermodynamic predictions of higher order Ti-Mn-X-Y systems.

On the magnetism of the C14 Nb0.975Fe2.025 Laves phase compound: Determination of the H-T phase diagram

NASA Astrophysics Data System (ADS)

Bałanda, Maria; Dubiel, Stanisław M.

2018-05-01

A C14 Nb0.975Fe2.025 Laves phase compound was investigated aimed at determining the H-T magnetic phase diagram. Magnetization, M, and AC magnetic susceptibility measurement were performed. Concerning the former field-cooled and zero-field-cooled M-curves were recorded in the temperature range of 2-200 K and in applied magnetic field, H, up to 1000 Oe, isothermal M(H) curves at 2 K, 5 K, 50 K, 80 K and 110 K as well as hysteresis loops at several temperatures over the field range of ±10 kOe were measured. Regarding the AC susceptibility, χ, both real and imaginary components were registered as a function of increasing temperature in the interval of 2 K-150 K at the frequencies of the oscillating field, f, from 3 Hz up to 999 Hz. An influence of the external DC magnetic field on the temperature dependence of χ was investigated, too. The measurements clearly demonstrated that the magnetism of the studied sample is weak, itinerant and has a reentrant character. Based on the obtained results a magnetic phase diagram has been constructed in the H-T coordinates.

Intermetallic Strengthened Alumina-Forming Austenitic Steels for Energy Applications

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

Hu, Bin; Baker, Ian

2016-03-31

In order to achieve energy conversion efficiencies of >50 % for steam turbines/boilers in power generation systems, the materials required must be strong, corrosion-resistant at high temperatures (>700°C), and economically viable. Austenitic steels strengthened with Laves phase and L1 2 precipitates, and alloyed with aluminum to improve oxidation resistance, are potential candidate materials for these applications. The creep resistance of these alloys is significantly improved through intermetallic strengthening (Laves-Fe 2Nb + L1 2-Ni 3Al precipitates) without harmful effects on oxidation resistance. Microstructural and microchemical analyses of the recently developed alumina-forming austenitic (AFA) steels (Fe-14Cr-32Ni-3Nb-3Al-2Ti-based) indicated they are strengthened by Nimore » 3Al(Ti) L1 2, NiAl B 2, Fe 2Nb Laves phase and MC carbide precipitates. Different thermomechanical treatments (TMTs) were performed on these stainless steels in an attempt to further improve their mechanical properties. The thermo-mechanical processing produced nanocrystalline grains in AFA alloys and dramatically increased their yield strength at room temperature. Unfortunately, the TMTs didn’t increase the yield strengths of AFA alloys at ≥700ºC. At these temperatures, dislocation climb is the dominant mechanism for deformation of TMT alloys according to strain rate jump tests. After the characterization of aged AFA alloys, we found that the largest strengthening effect from L1 2 precipitates can be obtained by aging for less than 24 h. The coarsening behavior of the L1 2 precipitates was not influenced by carbon and boron additions. Failure analysis and post-mortem TEM analysis were performed to study the creep failure mechanisms of these AFA steels after creep tests. Though the Laves and B2-NiAl phase precipitated along the boundaries can improve the creep properties, cracks were still initiated and propagated along the boundaries, which suggests that the boundaries are still the weaker regions for causing fracture during creep, possibly due to the presence of a precipitatefree zone. The precipitate size distribution and kinetics of precipitate growth were quantified.« less

Formation of prismatic loops from C15 Laves phase interstitial clusters in body-centered cubic iron

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

Zhang, Yongfeng; Bai, Xian-Ming; Tonks, Michael R.

2015-03-01

This Letter reports the transition of C15 phase self-interstitial clusters to loops in body-centered-cubic Iron. Molecular dynamics simulations are performed to evaluate the relative stabilities of difference interstitial cluster configurations including C15 phase structure and <100> and <111>/2 loops. Within a certain size range, C15 cluster are found more stable than loops, and the relative stabilities are reversed beyond that range. In accordance to the crossover in relative stabilities, C15 clusters may grow by absorbing individual interstitials at small sizes and transitions into loops eventually. The transition takes place by nucleation and reaction of <111>/2 loop segments. These observations explainmore » the absence of C15 phase interstitial clusters predicted by density-functional-theory calculations in previous experimental observations. More importantly, the current results provide a new formation mechanism of <100> loops which requires no interaction of loops.« less

Comparing photonic band structure calculation methods for diamond and pyrochlore crystals.

PubMed

Vermolen, E C M; Thijssen, J H J; Moroz, A; Megens, M; van Blaaderen, A

2009-04-27

The photonic band diagrams of close-packed colloidal diamond and pyrochlore structures, have been studied using Korringa-Kohn-Rostoker (KKR) and plane-wave calculations. In addition, the occurrence of a band gap has been investigated for the binary Laves structures and their constituent large- and small-sphere substructures. It was recently shown that these Laves structures give the possibility to fabricate the diamond and pyrochlore structures by self-organization. The comparison of the two calculation methods opens the possibility to study the validity and the convergence of the results, which have been an issue for diamond-related structures in the past. The KKR calculations systematically give a lower value for the gap width than the plane-wave calculations. This difference can partly be ascribed to a convergence issue in the plane-wave code when a contact point of two spheres coincides with the grid.

Mechanical Properties and Microstructural Characterization of Aged Nickel-based Alloy 625 Weld Metal

NASA Astrophysics Data System (ADS)

Silva, Cleiton Carvalho; de Albuquerque, Victor Hugo C.; Miná, Emerson Mendonça; Moura, Elineudo P.; Tavares, João Manuel R. S.

2018-03-01

The aim of this work was to evaluate the different phases formed during solidification and after thermal aging of the as-welded 625 nickel-based alloy, as well as the influence of microstructural changes on the mechanical properties. The experiments addressed aging temperatures of 650 and 950 °C for 10, 100, and 200 hours. The samples were analyzed by electron microscopy, microanalysis, and X-ray diffraction in order to identify the secondary phases. Mechanical tests such as hardness, microhardness, and Charpy-V impact test were performed. Nondestructive ultrasonic inspection was also conducted to correlate the acquired signals with mechanical and microstructural properties. The results show that the alloy under study experienced microstructural changes when aged at 650 °C. The aging was responsible by the dissolution of the Laves phase formed during the solidification and the appearance of γ″ phase within interdendritic region and fine carbides along the solidification grain boundaries. However, when it was aged at 950 °C, the Laves phase was continuously dissolved and the excess Nb caused the precipitation of the δ-phase (Ni3Nb), which was intensified at 10 hours of aging, with subsequent dissolution for longer periods such as 200 hours. Even when subjected to significant microstructural changes, the mechanical properties, especially toughness, were not sensitive to the dissolution and/or precipitation of the secondary phases.

The effects of cold work on the microstructure and mechanical properties of intermetallic strengthened alumina-forming austenitic stainless steels

DOE PAGES

Hu, Bin; Baker, Ian; Miller, Michael K.; ...

2015-06-12

In order to achieve energy conversion efficiencies of >50 pct for steam turbines/boilers in power generation systems, materials are required that are both strong and corrosion-resistant at >973 K (700 °C), and economically viable. Austenitic steels strengthened with Laves phase, NiAl and Ni 3Al precipitates, and alloyed with aluminum to improve oxidation resistance, are potential candidate materials for these applications. The microstructure and microchemistry of recently developed alumina-forming austenitic stainless steels have been characterized by scanning electron microscopy, transmission electron microscopy, and synchrotron X-ray diffraction. Different thermo-mechanical treatments were performed on these steels to improve their mechanical performance. These reducedmore » the grain size significantly to the nanoscale (~100 nm) and the room temperature yield strength to above 1000 MPa. Lastly, a solutionizing anneal at 1473 K (1200 °C) was found to be effective for uniformly redistributing the Laves phase precipitates that form upon casting.« less

The preferential orientation and lattice misfit of the directionally solidified Fe-Al-Ta eutectic composite

NASA Astrophysics Data System (ADS)

Cui, Chunjuan; Wang, Pei; Yang, Meng; Wen, Yagang; Ren, Chiqiang; Wang, Songyuan

2018-01-01

Fe-Al intermetallic compound has been paid more attentions recently in many fields such as aeronautic, aerospace, automobile, energy and chemical engineering, and so on. In this paper Fe-Al-Ta eutectic was prepared by a modified Bridgman directional solidification technique, and it is found that microstructure of the Fe-Al-Ta eutectic alloy transforms from the broken-lamellar eutectic to cellular eutectic with the increase of the solidification rate. In the cellular eutectic structure, the fibers are parallel to each other within the same grain, but some fibers are deviated from the original orientation at the grain boundaries. To study the crystallographic orientation relationship (OR) between the two phases, the preferential orientation of the Fe-Al-Ta eutectic alloy at the different solidification rates was studied by Selected Area Electron Diffraction (SAED). Moreover, the lattice misfit between Fe2Ta(Al) Laves phase and Fe(Al,Ta) matrix phase was calculated.

Hydrogen in La2MgNi9D13: the role of magnesium.

PubMed

Denys, Roman V; Yartys, Volodymyr A; Webb, Colin J

2012-04-02

Reversible hydrogen storage capacity of the La(3-x)Mg(x)Ni(9) alloys, charged by gaseous hydrogen or by electrochemical methods, reaches its maximum at composition La(2)MgNi(9). As (La,Mg)Ni(3-3.5) alloys are the materials used in advanced metal hydride electrodes in Ni-MH batteries, this raises interest in the study of the structure-properties interrelation in the system La(2)MgNi(9)-H(2) (D(2)). In the present work, this system has been investigated by use of in situ synchrotron X-ray and neutron powder diffraction in H(2)/D(2) gas and by performing pressure-composition-temperature measurements. The saturated La(2)MgNi(9)D(13.1) hydride forms via an isotropic expansion and crystallizes with a trigonal unit cell (space group R3m (No.166); a = 5.4151(1) Å; c = 26.584(2) Å; V = 675.10(6) Å(3)). The studied hybrid structure is composed of a stacking of two layers resembling existing intermetallic compounds LaNi(5) (CaCu(5) type) and LaMgNi(4) (Laves type). These are occupied by D to form LaNi(5)D(5.2) and LaMgNi(4)D(7.9). The LaNi(5)D(5.2) slab has a typical structure observed for all reported LaNi(5)-containing hybrid structures of the AB(5) + Laves phase types. However, the Laves type slab LaMgNi(4)D(7.9) is different from the characterized individual LaMgNi(4)D(4.85) hydride. This results from the filling of a greater variety of interstitial sites in the La(2)MgNi(9)D(13)/LaMgNi(4)D(7.9), including MgNi(2), Ni(4), (La/Mg)(2)Ni(2), and (La/Mg)Ni(3), in contrast with individual LaMgNi(4)D(4.85) where only La(2)MgNi(2) and Ni(4) interstitials are occupied. Despite a random distribution of La and Mg in the structure, a local hydrogen ordering takes place with H atoms favoring occupation of two Mg-surrounded sites, triangles MgNi(2) and tetrahedra LaMgNi(2). A directional bonding between Ni, Mg, and hydrogen is observed and is manifested by a formation of the NiH(4) tetrahedra and MgH(6) octahedra, which are connected to each other by sharing H vertexes to form a spatial framework.

Anisotropy induced anomalies in Dy 1$-$xTb xAl 2

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

Khan, M.; Miami Univ., Oxford, OH; Pathak, A. K.

2017-01-02

The Dy 1$-$xTb xAl 2 alloys have been investigated by X-ray powder diffraction, heat capacity, and magnetic measurements. All samples exhibit cubic Laves phase crystal structure at room temperature but at T C, DyAl2 and TbAl 2 show tetragonal and rhombohedral distortions, respectively. First order phase transitions are observed below T C (at the spin-reorientation transition, T SR) in the alloys with 0.15 ≤ x ≤ 0.35. These transitions are signified by sharp heat capacity peaks and corresponding anomalies in the magnetization and ac magnetic susceptibility data. The observations are interpreted by taking into consideration the differences in easy magnetizationmore » directions of DyAl 2 and TbAl 2. Due to the competing magnetic structures, the anisotropy-related instability and magnetic frustrations are prominent in the Dy 1$-$xTb xAl 2 alloys at certain concentrations resulting in the first order transitions.« less

Precipitation kinetics during aging of an alumina-forming austenitic stainless steel

DOE PAGES

Trotter, Geneva; Hu, Bin; Sun, Annie Y.; ...

2016-04-28

The microstructural evolution of DAFA26, an alumina-forming austenitic (AFA) stainless steel, was investigated during aging. The effect of aging at 750 °C and 800 °C on the growth of spherical γ’-Ni 3(Al, Ti) particles present in the as-processed state was studied extensively using X-ray diffraction, microhardness testing, scanning electron microscopy, transmission electron microscopy, and atom probe tomography. The γ’ particles had a cube-on-cube orientation relationship with the matrix (i.e. ((010)(010) m//(010)(010) p, [100][100] m//[100][100] p)). The coarsening kinetics of γ’-Ni 3Al particles were in agreement with the Lifshitz, Slyozof-Wagner theory. Coarse Laves phase particles were also present in the as-processedmore » state, and during the aging process both smaller Laves phase precipitates and B2-NiAl precipitates formed on both the grain boundaries and in the matrix. As a result, the γ’ precipitates were determined to have the most impact on the room temperature hardness.« less

Precipitation kinetics during aging of an alumina-forming austenitic stainless steel

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

Trotter, Geneva; Hu, Bin; Sun, Annie Y.

The microstructural evolution of DAFA26, an alumina-forming austenitic (AFA) stainless steel, was investigated during aging. The effect of aging at 750 °C and 800 °C on the growth of spherical γ’-Ni 3(Al, Ti) particles present in the as-processed state was studied extensively using X-ray diffraction, microhardness testing, scanning electron microscopy, transmission electron microscopy, and atom probe tomography. The γ’ particles had a cube-on-cube orientation relationship with the matrix (i.e. ((010)(010) m//(010)(010) p, [100][100] m//[100][100] p)). The coarsening kinetics of γ’-Ni 3Al particles were in agreement with the Lifshitz, Slyozof-Wagner theory. Coarse Laves phase particles were also present in the as-processedmore » state, and during the aging process both smaller Laves phase precipitates and B2-NiAl precipitates formed on both the grain boundaries and in the matrix. As a result, the γ’ precipitates were determined to have the most impact on the room temperature hardness.« less

The Effects of Cold Work on the Microstructure and Mechanical Properties of Intermetallic Strengthened Alumina-Forming Austenitic Stainless Steels

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

Hu, B.; Trotter, G.; Baker, Ian

2015-08-01

In order to achieve energy conversion efficiencies of > 50 pct for steam turbines/boilers in power generation systems, materials are required that are both strong and corrosion-resistant at > 973 K (700 A degrees C), and economically viable. Austenitic steels strengthened with Laves phase, NiAl and Ni3Al precipitates, and alloyed with aluminum to improve oxidation resistance, are potential candidate materials for these applications. The microstructure and microchemistry of recently developed alumina-forming austenitic stainless steels have been characterized by scanning electron microscopy, transmission electron microscopy, and synchrotron X-ray diffraction. Different thermo-mechanical treatments were performed on these steels to improve their mechanicalmore » performance. These reduced the grain size significantly to the nanoscale (similar to 100 nm) and the room temperature yield strength to above 1000 MPa. A solutionizing anneal at 1473 K (1200 A degrees C) was found to be effective for uniformly redistributing the Laves phase precipitates that form upon casting. (C) The Minerals, Metals & Materials Society and ASM International 2015« less

Studies of Nucleation and Growth, Specific Heat and Viscosity of Undercooled Melts of Quasicrystal and Polytetrahedral-Phase Forming Alloys

NASA Technical Reports Server (NTRS)

Kelton, K. F.; Gangopadhyay, Anup K.; Lee, G. W.; Hyers, Robert W.; Rathz, T. J.; Robinson, Michael B.; Rogers, Jan R.

2003-01-01

From extensive ground based work on the phase diagram and undercooling studies of Ti-Zr-Ni alloys, have clearly identified the composition of three different phases with progressively increasing polytetrahedral order such as, (Ti/Zr), the C14 Laves phase, and the i-phase, that nucleate directly from the undercooled liquid. The reduced undercooling decreases progressively with increasing polytetrahedral order in the solid, supporting Frank s hypothesis. A new facility for direct measurements of the structures and phase transitions in undercooled liquids (BESL) was developed and has provided direct proof of the primary nucleation of a metastable icosahedral phase in some Ti-Zr-Ni alloys. The first measurements of specific heat and viscosity in the undercooled liquid of this alloy system have been completed. Other than the importance of thermo-physical properties for modeling nucleation and growth processes in these materials, these studies have also revealed some interesting new results (such as a maximum of C(sup q, sub p) in the undercooled state). These ground-based results have clearly established the necessary background and the need for conducting benchmark nucleation experiments at the ISS on this alloy system.

Analysis of microstructure in electro-spark deposited IN718 superalloy

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

Anisimov, E.; Khan, A.K.; Ojo, O.A., E-mail: olanr

2016-09-15

The microstructure of electro-spark deposited (ESD) superalloy IN718 was studied by the use of scanning electron microscopy (SEM), electron backscatter diffraction (EBSD), transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS) techniques. In converse to general assumption, the extremely high cooling rate involved in the ESD process did not produce partitionless solidification that is devoid of second phase microconstituents in the material, nano-sized Laves phase and MC carbide particles were observed within the deposited layer. Notwithstanding the several thermal cycles involved in the process, the extremely low heat input of the process produced a deposited region that is free ofmore » the main strengthening phase of the alloy, γ″ phase precipitates, which is in contrast to what have been reported on laser deposition. Nevertheless, application of the standard full heat treatment of the alloy resulted in extensive formation of the γ″ phase precipitates and δ phase precipitates, the most stable secondary phase of the alloy, with nearly, if not complete, dissolution of the Laves phase particles. Furthermore, the XPS analysis done in the study revealed the formation of nano-oxides within the deposited layer, which increased the microhardness of the superalloy in the as-deposited condition and inhibited its grain growth during post-process heat treatment. The microstructure analysis done in this work is crucial to the understanding of properties of the superalloy processed by the ESD technique. - Highlights: •Electron microscopy analyses of electro-spark deposited IN 718 superalloy were performed. •Nano-sized secondary phase particles were observed within the deposited layer. •The study shows that the ESD did not produce partitionless solidification of the alloy.« less

Effect of boron on intergranular hot cracking in Ni-Cr-Fe superalloys containing niobium

NASA Technical Reports Server (NTRS)

Thompson, R. G.

1990-01-01

Solidification mechanisms had a dominant influence on microfissuring behavior of the test group. Carbon modified the Laves formation significantly and showed that one approach to alloy design would be balancing carbide formers against Laves formers. Boron's strong effect on microfissuring can be traced to its potency as a Laves former. Boron's segregation to grain boundaries plays at best a secondary role in microfissuring.

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.

Processing and Mechanical Properties of NiAl-Based In-Situ Composites. Ph.D. Thesis Final Report

NASA Technical Reports Server (NTRS)

Johnson, David Ray

1994-01-01

In-situ composites based on the NiAl-Cr eutectic system were successfully produced by containerless processing and evaluated. The NiAl-Cr alloys had a fibrous microstructure while the NiAl-(Cr,Mo) alloys containing 1 at. percent or more molybdenum exhibited a lamellar structure. The NiAl-28Cr-6Mo eutectic displays promising high temperature strength while still maintaining a reasonable room temperature fracture toughness when compared to other NiAl-based materials. The Laves phase NiAlTa was used to strengthen NiAl and very promising creep strengths were found for the directionally solidified NiAl-NiAlTa eutectic. The eutectic composition was found to be near NiAl-15.5Ta (at. percent) and well aligned microstructures were produced at this composition. An off-eutectic composition of NiAl-14.5Ta was also processed, consisting of NiAl dendrites surrounded by aligned eutectic regions. The room temperature toughness of these two phase alloys was similar to that of polycrystalline NiAl even with the presence of the brittle Laves phase NiAlTa. Polyphase in-situ composites were generated by directional solidification of ternary eutectics. The systems investigated were the Ni-Al-Ta-X (X=Cr, Mo, or V) alloys. Ternary eutectics were found in each of these systems and both the eutectic composition and temperature were determined. Of these ternary eutectics, the one in the NiAl-Ta-Cr system was found to be the most promising. The fracture toughness of the NiAl-(Cr,Al)NiTa-Cr eutectic was intermediate between those of the NiAl-NiAlTa eutectic and the NiAl-Cr eutectic. The creep strength of this ternary eutectic was similar to or greater than that of the NiAl-Cr eutectic.

Local magnetic moment formation at 119Sn Mössbauer impurity in RFe2 ( R=rare-earth metals) Laves phases compounds

NASA Astrophysics Data System (ADS)

de Oliveira, A. L.; de Oliveira, N. A.; Troper, A.

2010-05-01

The purpose of the present work is to theoretically study the local magnetic moment formation and the systematics of the magnetic hyperfine fields at a non-magnetic s-p Mössbauer 119Sn impurity diluted on R sites ( R=rare-earth metals) of the cubic Laves phases intermetallic compounds RFe2. One considers that the magnetic hyperfine field has two contributions (i) the contribution from R ions, calculated via an extended Daniel-Friedel [J. Phys. Chem. Solids 24 (1963) 1601] model and (ii) the contribution from the induced magnetic moments arising from the Fe neighboring sites. We have in this case a two-center Blandin-Campbell-like [Phys. Rev. Lett. 31 (1973) 51; J. Magn. Magn. Mater. 1 (1975) 1] problem, where a magnetic 3d-element located at a distance from the 119Sn impurity gives an extra magnetization to a polarized electron gas which is strongly charge perturbed at the 119Sn impurity site. We also include in the model, the nearest-neighbor perturbation due to the translational invariance breaking introduced by the impurity. Our self-consistent total magnetic hyperfine field calculations are in a very good agreement with recent experimental data.

Development of high strength ferritic steel for interconnect application in SOFCs

NASA Astrophysics Data System (ADS)

Froitzheim, J.; Meier, G. H.; Niewolak, L.; Ennis, P. J.; Hattendorf, H.; Singheiser, L.; Quadakkers, W. J.

High-Cr ferritic model steels containing various additions of the refractory elements Nb and/or W were studied with respect to oxidation behaviour (hot) tensile properties, creep behaviour and high-temperature electrical conductivity of the surface oxide scales. Whereas W additions of around 2 wt.% had hardly any effect on the oxidation rates at 800 and 900 °C, Nb additions of 1% led to a substantially enhanced growth rate of the protective surface oxide scale. It was found that this adverse effect can be alleviated by suitable Si additions. This is related to the incorporation of Si and Nb into Laves phase precipitates which also contribute to increased creep and hot tensile strength. The dispersion of Laves phase precipitates was greatly refined by combined additions of Nb and W. The high-temperature electrical conductivity of the surface oxide scales was similar to that of the Nb/W-free alloys. Thus the combined additions of Nb, W and Si resulted in an alloy with oxidation resistance, ASR contribution and thermal expansion comparable to the commercial alloy Crofer 22 APU, but with creep strength far greater than that of Crofer 22 APU.

Microstructure and Properties of a Refractory NbCrMo0.5Ta0.5ZrTi Alloy (Preprint)

DTIC Science & Technology

2011-10-01

slightly enriched with Nb , Mo and Ta and depleted with Zr and Cr, and its lattice parameter after HIP was a = 324.76 ± 0.16 pm. The BCC2 phase was...FCC phase was highly enriched with Cr and it was identified as a Laves C15 phase, ( Zr ,Ta)(Cr,Mo, Nb )2, with the lattice parameter a = 733.38 ± 0.18 pm...with Nb , Mo and Ta and depleted with Zr and Cr, and its lattice parameter after HIP was a = 324.76 ± 0.16 pm. The BCC2 phase was enriched with Zr and Ti

Abstraction and Concreteness in the Everyday Mathematics of Structural Engineers.

ERIC Educational Resources Information Center

Gainsburg, Julie

The everyday mathematics processes of structural engineers were studied and analyzed in terms of abstraction. A main purpose of the study was to explore the degree to which the notion of a gap between school and everyday mathematics holds when the scope of practices considered "everyday" is extended. J. Lave (1988) promoted a methodology…

Microstructures and Mechanical Properties of Two-Phase Alloys Based on NbCr(2)

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

Cady, C.M.; Chen, K.C.; Kotula, P.G.

A two-phase, Nb-Cr-Ti alloy (bee+ C15 Laves phase) has been developed using several alloy design methodologies. In effort to understand processing-microstructure-property relationships, diffment processing routes were employed. The resulting microstructure and mechanical properties are discussed and compared. Plasma arc-melted samples served to establish baseline, . . . as-cast properties. In addition, a novel processing technique, involving decomposition of a supersaturated and metastable precursor phase during hot isostatic pressing (HIP), was used to produce a refined, equilibrium two-phase microstructure. Quasi-static compression tests as a ~ function of temperature were performed on both alloy types. Different deformation mechanisms were encountered based uponmore » temperature and microstructure.« less

Mechanical properties and microstructural evolution of modified 9Cr-1Mo steel after long-term aging for 50,000 h

NASA Astrophysics Data System (ADS)

Baek, Jong-Hyuk; Kim, Sung-Ho; Lee, Chan-Bock; Hahn, Do-Hee

2009-08-01

The mechanical properties and microstructural evolution of modified 9Cr-1Mo steel have been studied to investigate steel property changes after long-term isothermal aging at 600 °C for 50,000 h. The microhardness and strength were maintained constantly after aging but the impact energy was dramatically reduced by 62 % during the aging period. From the viewpoint of microstructural evolution after the aging process, Cr-enrichment and Fe-depletion took place within the M23C6-type precipitates in the as-aged steel and V-depletion also happened within the VX-type precipitates after aging. In addition, the precipitates of the M2Mo-type Laves phase and the segregation of the impurity atoms would be formed during the long-term aging period. It was considered that the sharp reduction of the impact energy could be related to the formation of the Laves phases and the impurity segregation after aging at 600 °C. The phase stability was also verified by the specific heat results up to 950 °C from a DSC test. It was concluded from this study that the modified 9Cr-1Mo steel would keep its microstructural stability at 600 °C during the long-term aging period of 50,000 h, which was equivalent to the in-service life of the SFR fuel cladding.

HRTEM and chemical study of an ion-irradiated chromium/zircaloy-4 interface

NASA Astrophysics Data System (ADS)

Wu, A.; Ribis, J.; Brachet, J.-C.; Clouet, E.; Leprêtre, F.; Bordas, E.; Arnal, B.

2018-06-01

Chromium-coated zirconium alloys are being studied as Enhanced Accident Tolerant Fuel Cladding for Light Water Reactors (LWRs). Those materials are especially studied to improve the oxidation resistance of LWRs current fuel claddings in nominal and at High Temperature (HT) for hypothetical accidental conditions such as LOss of Coolant Accident. Beyond their HT behavior, it is essential to assess the materials behavior under irradiation. A first generation chromium/Zircaloy-4 interface was thus irradiated with 20 MeV Kr8+ ions at 400 °C up to 10 dpa. High-Resolution Transmission Electron Microscopy and chemical analysis (EDS) were conducted at the Cr/Zr interface. The atomic structure of the interface reveals the presence of Zr(Fe, Cr)2 Laves phase, displaying both C14 and C15 structure. After irradiation, only the C14 structure was observed and atomic row matching was preserved across the different interfaces, thus ensuring a good adhesion of the coating after irradiation.

The Microstructure and Properties of Super Martensitic Stainless Steel Microalloyed with Tungsten and Copper

NASA Astrophysics Data System (ADS)

Ye, Dong; Li, Jun; Liu, Yu-Rong; Yong, Qi-Long; Su, Jie; Cao, Jian-Chun; Tao, Jing-Mei; Zhao, Kun-Yu

2011-06-01

The microstructure and properties of super martensitic stainless steel (SMSS) microalloyed with tungsten and copper were studied by means of optical microscopy, dilatometer, X-ray diffraction, and tensile tests. The results showed that the microstructure of SMSS, after quenching and tempering, was a typical biphase structure with tempered martensite and reversed austenite dispersedly distributed in the martensite matrix. W and Cu were added into the SMSS to reduce the transformation temperature (Ms) and improve the strength and hardness of the matrix by grain refining and solid solution strengthening. Thermocalc calculations confirmed that M23C6 compound and Laves phase were precipitated during tempering in the investigated steel. Compared with the traditional SMSS, the steel microalloyed with W and Cu performed better mechanical properties.

Synthesis and magnetostrictive properties of Pr(Fe1.95B0.05)1.93 bulk nanocrystalline alloy

NASA Astrophysics Data System (ADS)

Shi, Y. G.; Hu, C. C.; Fan, J. Y.; Shi, D. N.; Lv, L. Y.; Tang, S. L.

2012-11-01

The structure, magnetic properties, and magnetostriction of Pr(Fe1.95B0.05)1.93 alloys prepared by annealing its precursor amorphous ribbons under high pressure were investigated. It was found that Pr(Fe1.95B0.05)1.93 single cubic Laves phase could be obtained only when the pressure is up to 3 GPa. The average grain size about 20 nm is found in the sample synthesized under 6 GPa. A large linear magnetostriction of 541 ppm at 3 kOe is observed in the Pr(Fe1.95B0.05)1.93 compound synthesized under 6 GPa, which is 25% larger than that under 3 GPa. The present work offers an effective method to obtain bulk nanocrystalline magnetostrictive compounds.

Microstructural Evolution and Phase Formation in 2nd-Generation Refractory-Based High Entropy Alloys

PubMed Central

Eshed, Eyal; Larianovsky, Natalya; Kovalevsky, Alexey; Popov, Vladimir; Gorbachev, Igor; Popov, Vladimir; Katz-Demyanetz, Alexander

2018-01-01

Refractory-based high entropy alloys (HEAs) of the 2nd-generation type are new intensively-studied materials with a high potential for structural high-temperature applications. This paper presents investigation results on microstructural evolution and phase formation in as-cast and subsequently heat-treated HEAs at various temperature-time regimes. Microstructural examination was performed by means of scanning electron microscopy (SEM) combined with the energy dispersive spectroscopy (EDS) mode of electron probe microanalysis (EPMA) and qualitative X-ray diffraction (XRD). The primary evolutionary trend observed was the tendency of Zr to gradually segregate as the temperature rises, while all the other elements eventually dissolve in the BCC solid solution phase once the onset of Laves phase complex decomposition is reached. The performed thermodynamic modelling was based on the Calculation of Phase Diagrams method (CALPHAD). The BCC A2 solid solution phase is predicted by the model to contain increasing amounts of Cr as the temperature rises, which is in perfect agreement with the actual results obtained by SEM. However, the model was not able to predict the existence of the Zr-rich phase or the tendency of Zr to segregate and form its own solid solution—most likely as a result of the Zr segregation trend not being an equilibrium phenomenon. PMID:29360763

Overview of Strategies for High-Temperature Creep and Oxidation Resistance of Alumina-Forming Austenitic Stainless Steels

NASA Astrophysics Data System (ADS)

Yamamoto, Y.; Brady, M. P.; Santella, M. L.; Bei, H.; Maziasz, P. J.; Pint, B. A.

2011-04-01

A family of creep-resistant, alumina-forming austenitic (AFA) stainless steel alloys is under development for structural use in fossil energy conversion and combustion system applications. The AFA alloys developed to date exhibit comparable creep-rupture lives to state-of-the-art advanced austenitic alloys, and superior oxidation resistance in the ~923 K to 1173 K (650 °C to 900 °C) temperature range due to the formation of a protective Al2O3 scale rather than the Cr2O3 scales that form on conventional stainless steel alloys. This article overviews the alloy design approaches used to obtain high-temperature creep strength in AFA alloys via considerations of phase equilibrium from thermodynamic calculations as well as microstructure characterization. Strengthening precipitates under evaluation include MC-type carbides or intermetallic phases such as NiAl-B2, Fe2(Mo,Nb)-Laves, Ni3Al-L12, etc. in the austenitic single-phase matrix. Creep, tensile, and oxidation properties of the AFA alloys are discussed relative to compositional and microstructural factors.

Microstructure and Mechanical Properties of Laser Welded Joints of DZ125L and IN718 Nickel Base Superalloys

NASA Astrophysics Data System (ADS)

Liang, Taosha; Wang, Lei; Liu, Yang; Song, Xiu

2018-05-01

The microstructure and mechanical properties of the laser welded joint of DZ125L and IN718 nickel base superalloys were investigated. The results show that the fusion zone (FZ) mainly consists of fine dendrite structure with fine γ', Laves phases and MC carbides inhomogeneously distributed. The high welding temperature induces the partial dissolution of γ' in the heat-affected zone (HAZ) of DZ125L and liquation of grain boundaries in both of the HAZs. After post-weld heat treatment (PWHT), fine γ″ and γ' phases precipitate in the FZ, IN718 HAZ and IN718 base metal (BM), and fine γ' precipitate in the γ channel of the HAZ and BM of DZ125L. With tensile testing, the joints after PWHT show higher strengths than that of the weaker DZ125L alloy. Plastic deformation mainly concentrates in the weaker DZ125L and the joint finally fails in the DZ125L BM.

Effect of Long-Term Service on Microstructure and Mechanical Properties of Martensitic 9% Cr Steel

NASA Astrophysics Data System (ADS)

Golański, Grzegorz; Zielińska-Lipiec, Anna; Zieliński, Adam; Sroka, Marek

2017-03-01

The paper presents the results of research on the X10CrMoVNbN9-1 (T91) steel after long-term service. The material for testing was taken from a pipe section of a boiler superheater coil serviced for around 105,000 h at the temperature of 540 °C, at the pressure of 12.5 MPa. A quantitative analysis including the measurement of mean diameter of subgrains and precipitates as well as the density of dislocations of the examined steel was performed by means of TEM. The microscopic tests of T91 steel were complemented with the results of tests on mechanical properties which included also the short creep tests. After service, the investigated steel was characterized by a retained lath microstructure of tempered martensite with fine subgrain and quite large density of dislocations as well as numerous precipitates. In the microstructure, apart from the particles of M23C6 and MX (VX, NbC, V-wings), the precipitates of Laves phase and single particles of Z phase were revealed. It has been shown that the extent of degradation of the T91 steel microstructure was minor, which resulted from its low temperature of service. Performed tests of mechanical properties showed that these properties fulfilled the minimum requirements for this steel in the as-received condition. A favorable influence of fine precipitates of Laves phase on mechanical properties was observed. Moreover, an insignificant influence of single precipitates of Z phase on the creep resistance of the examined steel was stated.

Alloying and Properties of C14–NbCr2 and A15–Nb3X (X = Al, Ge, Si, Sn) in Nb–Silicide-Based Alloys

PubMed Central

Tsakiropoulos, Panos

2018-01-01

The oxidation of Nb–silicide-based alloys is improved with Al, Cr, Ge or Sn addition(s). Depending on addition(s) and its(their) concentration(s), alloyed C14-AB2 Laves and A15-A3X phases can be stable in the microstructures of the alloys. In both phases, A is the transition metal(s), and B and X respectively can be Cr, Al, Ge, Si or Sn, and Al, Ge, Si or Sn. The alloying, creep and hardness of these phases were studied using the composition weighted differences in electronegativity (∆χ), average valence electron concentrations (VEC) and atomic sizes. For the Laves phase (i) the VEC and ∆χ were in the ranges 4.976 < VEC < 5.358 and −0.503 < ∆χ < −0.107; (ii) the concentration of B (=Al + Cr + Ge + Si + Sn) varied from 50.9 to 64.5 at %; and (iii) the Cr concentration was in the range of 35.8 < Cr < 51.6 at %. Maps of ∆χ versus Cr, ∆χ versus VEC, and VEC versus atomic size separated the alloying behaviours of the elements. Compared with unalloyed NbCr2, the VEC decreased and ∆χ increased in Nb(Cr,Si)2, and the changes in both parameters increased when Nb was substituted by Ti, and Cr by Si and Al, or Si and Ge, or Si and Sn. For the A15 phase (i) the VEC and ∆χ were in the ranges 4.38 < VEC < 4.89 and 0.857 < ∆χ < 1.04, with no VEC values between 4.63 and 4.72 and (ii) the concentration of X (=Al + Ge + Si + Sn) varied from 16.3 to 22.7 at %. The VEC versus ∆χ map separated the alloying behaviours of elements. The hardness of A15-Nb3X was correlated with the parameters ∆χ and VEC. The hardness increased with increases in ∆χ and VEC. Compared with Nb3Sn, the ∆χ and hardness of Nb3(Si,Sn) increased. The substitution of Nb by Cr had the same effect on ∆χ and hardness as Hf or Ti. The ∆χ and hardness increased with Ti concentration. The addition of Al in Nb3(Si,Sn,Al) decreased the ∆χ and increased the hardness. When Ti and Hf, or Ti, Hf and Cr, were simultaneously present with Al, the ∆χ was decreased and the hardness was unchanged. The better creep of Nb(Cr,Si)2 compared with the unalloyed Laves phase was related to the decrease in the VEC and ∆χ parameters. PMID:29518920

Alloying and Properties of C14-NbCr₂ and A15-Nb₃X (X = Al, Ge, Si, Sn) in Nb-Silicide-Based Alloys.

PubMed

Tsakiropoulos, Panos

2018-03-07

The oxidation of Nb-silicide-based alloys is improved with Al, Cr, Ge or Sn addition(s). Depending on addition(s) and its(their) concentration(s), alloyed C14-AB₂ Laves and A15-A₃X phases can be stable in the microstructures of the alloys. In both phases, A is the transition metal(s), and B and X respectively can be Cr, Al, Ge, Si or Sn, and Al, Ge, Si or Sn. The alloying, creep and hardness of these phases were studied using the composition weighted differences in electronegativity (∆χ), average valence electron concentrations (VEC) and atomic sizes. For the Laves phase (i) the VEC and ∆χ were in the ranges 4.976 < VEC < 5.358 and -0.503 < ∆χ < -0.107; (ii) the concentration of B (=Al + Cr + Ge + Si + Sn) varied from 50.9 to 64.5 at %; and (iii) the Cr concentration was in the range of 35.8 < Cr < 51.6 at %. Maps of ∆χ versus Cr, ∆χ versus VEC, and VEC versus atomic size separated the alloying behaviours of the elements. Compared with unalloyed NbCr₂, the VEC decreased and ∆χ increased in Nb(Cr,Si)₂, and the changes in both parameters increased when Nb was substituted by Ti, and Cr by Si and Al, or Si and Ge, or Si and Sn. For the A15 phase (i) the VEC and ∆χ were in the ranges 4.38 < VEC < 4.89 and 0.857 < ∆χ < 1.04, with no VEC values between 4.63 and 4.72 and (ii) the concentration of X (=Al + Ge + Si + Sn) varied from 16.3 to 22.7 at %. The VEC versus ∆χ map separated the alloying behaviours of elements. The hardness of A15-Nb₃X was correlated with the parameters ∆χ and VEC. The hardness increased with increases in ∆χ and VEC. Compared with Nb₃Sn, the ∆χ and hardness of Nb₃(Si,Sn) increased. The substitution of Nb by Cr had the same effect on ∆χ and hardness as Hf or Ti. The ∆χ and hardness increased with Ti concentration. The addition of Al in Nb₃(Si,Sn,Al) decreased the ∆χ and increased the hardness. When Ti and Hf, or Ti, Hf and Cr, were simultaneously present with Al, the ∆χ was decreased and the hardness was unchanged. The better creep of Nb(Cr,Si)₂ compared with the unalloyed Laves phase was related to the decrease in the VEC and ∆χ parameters.

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

Clark, Williams; Zhao, Ji-Cheng

Cost effective and high performance alloys that are capable of operating at 760 °C or higher for extended periods of time under a very aggressive environment are critically required for the design and development of advanced ultrasupercritical (AUSC) boilers and steam turbines. Finely dispersed Laves phase precipitates have been shown by Takeyama and co-workers to be a viable strengthening mechanism in high temperature austenitic steels. There is currently no straightforward theory that can predict what other intermetallic phases can serve as potent precipitation-strengthening phases for steels; thus we employed a highly effective dual-anneal diffusion multiple (DADM) approach to screen formore » viable strengthening precipitates over a wide range of compositions. From the Fe-Co-Cr-Ni-Mo DADMs, the Fe-Cr-Mo based Chi phase was identified as a new strengthening phase for high temperature ferritic steels; and from the Fe-Mn-Cr-Nb-Ni-Mo-FeAl DADMs, the Laves phase was identified as a viable strengthening precipitate in Fe-Mn and Fe-Ni based austenitic steels. After identification of viable strengthening phases from the DADMs that covered compositions in the basic ternary and quaternary systems, we employed computation thermodynamics to perform multicomponent alloy design and optimization. For the new the Chi-phase strengthened steels, we performed thermodynamic calculations to vary the volume fraction of the Chi phase and introduced Nb and carbon to promote the formation of stable carbides for grain size control during solution heat treatment. For the Fe-Ni-Mn based austenitic steels, we performed extensive parametric optimization of compositions in order to reduce the expensive Ni content, add Cr and Al for oxidation resistance, and balance the alloying contents (Ni, Mn, Cr, Al, Mo) to suppress the ferritic phase and promote the austenitic matrix phase. Four steels (two ferritic + two austenitic) were designed and tested. The two Chi-phase strengthened ferritic steels exhibited excellent oxidation resistance and good creep-rupture strength at moderate temperatures, considering their ferritic matrix that usually results in lower creep resistance than austenitic steels. These steels showed brittleness and sample-to-sample variability in ductility. The low ductility might be due to the macro segregation during solidification or the significant grain growth during the solution heat treatments. We believe there is no inherent brittleness based on the chemistry of the steels. The creep-rupture performance of the steels is comparable to the 9Cr steels. Due to their ferritic matrix, the new Chi-phase strengthened ferritic steels may not be suited for the 760 °C AUSC applications, but they are very good candidates for intermediate temperature applications due to their outstanding oxidation resistance and high strength. Further study is required to find the source of low and highly variable ductility. We believe the compositions of the Chi-phase strengthened steels are not inherently brittle. The Chi-phase strengthened ferritic steels may also be excellent candidates for intermediate-temperature and room-temperature cast stainless steels, thus we highly recommend further investigations. The two Mn-containing austenitic steels based on the Laves phase showed good ductility, excellent oxidation resistance (slightly inferior to the two ferritic steels) at high temperatures and moderate creep strength. The creep-strength of the two austenitic steels based on the Larson-Miller parameters is higher than that of the traditional 316 stainless steels, but lower than the alumina-forming alloys (AFAs) developed at Oak Ridge National Laboratories. We do not recommend high priority in further studying these compositions unless higher Cr alloys are required for hot-corrosion resistance.« less

Powder Metallurgy Processing of a WxTaTiVCr High-Entropy Alloy and Its Derivative Alloys for Fusion Material Applications.

PubMed

Waseem, Owais Ahmed; Ryu, Ho Jin

2017-05-16

The W x TaTiVCr high-entropy alloy with 32at.% of tungsten (W) and its derivative alloys with 42 to 90at.% of W with in-situ TiC were prepared via the mixing of elemental W, Ta, Ti, V and Cr powders followed by spark plasma sintering for the development of reduced-activation alloys for fusion plasma-facing materials. Characterization of the sintered samples revealed a BCC lattice and a multi-phase structure. The selected-area diffraction patterns confirmed the formation of TiC in the high-entropy alloy and its derivative alloys. It revealed the development of C15 (cubic) Laves phases as well in alloys with 71 to 90at.% W. A mechanical examination of the samples revealed a more than twofold improvement in the hardness and strength due to solid-solution strengthening and dispersion strengthening. This study explored the potential of powder metallurgy processing for the fabrication of a high-entropy alloy and other derived compositions with enhanced hardness and strength.

Microstructure evolution and dislocation behaviour in high chromium, fully ferritic steels strengthened by intermetallic Laves phases.

PubMed

Lopez Barrilao, Jennifer; Kuhn, Bernd; Wessel, Egbert

2018-05-01

In the present study a stainless, high strength, ferritic (non-martensitic) steel was analysed regarding microstructure and particle evolution. The preceding hot-rolling process of the steel results in the formation of sub-grain structures, which disappear over time at high temperature. Besides that the formation of particle-free zones was observed. The pronounced formation of these zones preferentially appears close to high angle grain boundaries and is considered to be responsible for long-term material failure under creep conditions. The reasons for this are lacking particle hardening and thus a concentration and accumulation of deformation in the particle free areas close to the grain boundaries. Accordingly in-depth investigations were performed by electron microscopy to analyse dislocation behaviour and its possible effect on the mechanical response of these weak areas. Copyright © 2018 Elsevier Ltd. All rights reserved.

Investigation on the optimized heat treatment procedure for laser fabricated IN718 alloy

NASA Astrophysics Data System (ADS)

Zhang, Yaocheng; Yang, Li; Chen, Tingyi; Zhang, Weihui; Huang, Xiwang; Dai, Jun

2017-12-01

The laser fabricated IN718 alloys were prepared by laser cladding system. The microstructure and microhardness of laser fabricated IN718 alloys were investigated after heat treatment. The microstructure and the elevated temperature mechanical properties of laser fabricated IN718 alloys were analyzed. The results showed that the microstructure of laser fabricated IN718 alloy consisted of austenitic matrix and dendritic Laves/γ eutectic. Most all Laves/γ eutectic was dissolved into austenitic matrix, and the complete recrystallization and the large grains occurred in the laser fabricated IN718 alloy after homogenization at 1080-1140 °C for 1 h, the dendritic Laves/γ eutectic was refined and the partial recrystallization occurred during the solid solution at 940-1000 °C for 1.5 h, the microhardness of the double aging (DA) alloys was about more than twice that of as-fabricated IN718 alloy. The recrystallized microstructure was obtained in the heat-treated laser fabricated IN718 alloy after 1100 °C/1 h air cooling (AC), 980 °C/1.5 h (AC), 700 °C/8 h furnace cooling (FC, 100 °C/h) to 600 °C/8 h (AC). The microhardness and the elevated temperature tensile strength were more than twice that of as-fabricated IN718 alloy due to a large concentration of γ″ phase precipitation to improve the transgranular strength and large grain to guarantee the grain boundary strength. The fracture morphologies of as-fabricated and heat-treated laser fabricated IN718 alloys were presented as the fiber dimples, the fracture mechanism of as-fabricated and heat-treated laser fabricated IN718 alloys was ductile fracture.

Microstructure/Oxidation/Microhardness Correlations in Gamma-Based and Tau-Based Al-Ti-Cr Alloys

NASA Technical Reports Server (NTRS)

Brady, Michael P.; Smialek, J. L.; Humphrey, D. L.

1994-01-01

The relationships between alloy microstructure and air oxidation kinetics and alloy microstructure and microhardness in the Al-Ti-Cr system for exposures at 800 C and 1000 C were investigated. The relevant phases were identified as tau (Ll2), gamma (LIO), r-Al2Ti, TiCrAl (laves), and Cr2AI. Protective alumina formation was associated with tau, Al-rich TiCrAl, and gamma/TiCrAl mixtures. Brittleness was associated with the TiCrAl phase and tau decomposition to A12Ti + Cr2AI. It was concluded that two-phase gamma + TiCrAl alloys offer the greatest potential for oxidation resistance and room temperature ductility in the Al-Ti-Cr system.

Music and Informal Learning in Everyday Life

ERIC Educational Resources Information Center

Batt-Rawden, Kari; Denora, Tia

2005-01-01

In this paper, the authors focus on informal learning as it is situated in and derived from everyday life experience (Lave, 1988; Lave and Wenger, 1991). Their concern is with informal musical learning and its link to health, well-being and the care of self, an area that has already received some attention from research in music therapy,…

Effect of boron and carbon addition on microstructure and mechanical properties of the aged gamma-prime strengthened alumina-forming austenitic alloys [Effect of boron and carbon addition on microstructure and mechanical properties of the aged gamma-prime alumina-forming austenitic alloys

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

Hu, Bin; Trotter, Geneva; Wang, Zhangwei

Here, the goal of this work was to understand the effects of aging at 800 °C on the microstructures and mechanical properties of two recently-developed AFA stainless steels based on Fe-14Cr-32Ni-3Nb-3Al-2Ti (wt.%), one of which contained small additions of boron and carbon. To that end both the size distributions and growth kinetics of the B2, Laves phase, L1 2 precipitates present were quantified. While the lattice parameter, morphology, size and coarsening behavior of the L1 2 precipitates was the same in both AFA alloys, the B and C enhanced the grain boundary coverage by both Laves phase and B2-NiAl precipitates,more » but suppressed their coarsening. These interstitial additions also suppressed the formation of twins and discontinuous precipitation, which were observed in the B and C-free material. It is shown that the yield strength at 700 °C is largely controlled by the size of the L1 2 precipitates, with the largest strengthening effect obtained after aging for 2.4 h for both AFA alloys. Longer aging time led to a loss of strength mainly due to the coarsening of the L1 2 precipitates.« less

Effect of boron and carbon addition on microstructure and mechanical properties of the aged gamma-prime strengthened alumina-forming austenitic alloys [Effect of boron and carbon addition on microstructure and mechanical properties of the aged gamma-prime alumina-forming austenitic alloys

DOE PAGES

Hu, Bin; Trotter, Geneva; Wang, Zhangwei; ...

2017-07-03

Here, the goal of this work was to understand the effects of aging at 800 °C on the microstructures and mechanical properties of two recently-developed AFA stainless steels based on Fe-14Cr-32Ni-3Nb-3Al-2Ti (wt.%), one of which contained small additions of boron and carbon. To that end both the size distributions and growth kinetics of the B2, Laves phase, L1 2 precipitates present were quantified. While the lattice parameter, morphology, size and coarsening behavior of the L1 2 precipitates was the same in both AFA alloys, the B and C enhanced the grain boundary coverage by both Laves phase and B2-NiAl precipitates,more » but suppressed their coarsening. These interstitial additions also suppressed the formation of twins and discontinuous precipitation, which were observed in the B and C-free material. It is shown that the yield strength at 700 °C is largely controlled by the size of the L1 2 precipitates, with the largest strengthening effect obtained after aging for 2.4 h for both AFA alloys. Longer aging time led to a loss of strength mainly due to the coarsening of the L1 2 precipitates.« less

Intrinsic Properties and Structure of AB2 Laves Phase ZrW2

NASA Astrophysics Data System (ADS)

Wu, Junyan; Zhang, Bo; Zhan, Yongzhong

2017-06-01

Using the first-principle calculations along with the quasi-harmonic Debye model, we explore the structural, thermodynamic, mechanical, and electronic properties of ZrW2 intermetallic considering temperature or pressure effect. The computed equilibrium lattice parameter here is highly consistent with previous available results. The obtained formation enthalpy reveals that the ZrW2 is structurally stable in the pressure range of 0 to 100 GPa. The pressure and temperature dependences of V/ V 0 ratio, constant volume specific heat capacity, thermal expansion coefficient, and Debye temperature of ZrW2 have been obtained. The calculated minimum thermal conductivity k min of ZrW2 is fairly small and shows anisotropy, which implies that ZrW2 has promising thermal-insulating application in engineering and may be competent for the thermal barrier materials. Moreover, from the results of elastic properties, we found the ZrW2 is mechanically stable and exhibits elastic anisotropy and the extent of elastic anisotropy increases with pressure. Additionally, ZrW2 shows ductile nature and its mechanical moduli all enhance as pressure increases, which is further confirmed by the findings from the electronic properties.

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.

Absence of Mutagenic Activity of Hycanthone in Serratia marcescens,

DTIC Science & Technology

1986-05-29

repair system but is enhanced by the plasmid pKMl01, which mediates the inducible error-prone repair system. Hycanthone, like proflavin , .1...enhanced by the plasmid pKM10, which mediates the inducible error-prone repair system. Hycanthone, like proflavin , intercalates between the stacked bases...Roth (1974) lave suggested that proflavin , which has a planar triple ring structure similar to hycanthone, interacts with DNA, which upon replication

Dimensionless numbers in additive manufacturing

NASA Astrophysics Data System (ADS)

Mukherjee, T.; Manvatkar, V.; De, A.; DebRoy, T.

2017-02-01

The effects of many process variables and alloy properties on the structure and properties of additively manufactured parts are examined using four dimensionless numbers. The structure and properties of components made from 316 Stainless steel, Ti-6Al-4V, and Inconel 718 powders for various dimensionless heat inputs, Peclet numbers, Marangoni numbers, and Fourier numbers are studied. Temperature fields, cooling rates, solidification parameters, lack of fusion defects, and thermal strains are examined using a well-tested three-dimensional transient heat transfer and fluid flow model. The results show that lack of fusion defects in the fabricated parts can be minimized by strengthening interlayer bonding using high values of dimensionless heat input. The formation of harmful intermetallics such as laves phases in Inconel 718 can be suppressed using low heat input that results in a small molten pool, a steep temperature gradient, and a fast cooling rate. Improved interlayer bonding can be achieved at high Marangoni numbers, which results in vigorous circulation of liquid metal, larger pool dimensions, and greater depth of penetration. A high Fourier number ensures rapid cooling, low thermal distortion, and a high ratio of temperature gradient to the solidification growth rate with a greater tendency of plane front solidification.

Cooling rate dependence of simulated Cu{sub 64.5}Zr{sub 35.5} metallic glass structure

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

Ryltsev, R. E.; Ural Federal University, 19 Mira Str., 620002 Ekaterinburg; L.D. Landau Institute for Theoretical Physics, Russian Academy of Sciences, 2 Kosygina Str., 119334 Moscow

Using molecular dynamics simulations with embedded atom model potential, we study structural evolution of Cu{sub 64.5}Zr{sub 35.5} alloy during the cooling in a wide range of cooling rates γ ∈ (1.5 ⋅ 10{sup 9}, 10{sup 13}) K/s. Investigating short- and medium-range orders, we show that the structure of Cu{sub 64.5}Zr{sub 35.5} metallic glass essentially depends on cooling rate. In particular, a decrease of the cooling rate leads to an increase of abundances of both the icosahedral-like clusters and Frank-Kasper Z16 polyhedra. The amounts of these clusters in the glassy state drastically increase at the γ{sub min} = 1.5 ⋅ 10{supmore » 9} K/s. Analysing the structure of the glass at γ{sub min}, we observe the formation of nano-sized crystalline grain of Cu{sub 2}Zr intermetallic compound with the structure of Cu{sub 2}Mg Laves phase. The structure of this compound is isomorphous with that for Cu{sub 5}Zr intermetallic compound. Both crystal lattices consist of two types of clusters: Cu-centered 13-atom icosahedral-like cluster and Zr-centered 17-atom Frank-Kasper polyhedron Z16. That suggests the same structural motifs for the metallic glass and intermetallic compounds of Cu–Zr system and explains the drastic increase of the abundances of these clusters observed at γ{sub min}.« less

Thermal processing of diblock copolymer melts mimics metallurgy

NASA Astrophysics Data System (ADS)

Kim, Kyungtae; Schulze, Morgan W.; Arora, Akash; Lewis, Ronald M.; Hillmyer, Marc A.; Dorfman, Kevin D.; Bates, Frank S.

2017-05-01

Small-angle x-ray scattering experiments conducted with compositionally asymmetric low molar mass poly(isoprene)-b-poly(lactide) diblock copolymers reveal an extraordinary thermal history dependence. The development of distinct periodic crystalline or aperiodic quasicrystalline states depends on how specimens are cooled from the disordered state to temperatures below the order-disorder transition temperature. Whereas direct cooling leads to the formation of documented morphologies, rapidly quenched samples that are then heated from low temperature form the hexagonal C14 and cubic C15 Laves phases commonly found in metal alloys. Self-consistent mean-field theory calculations show that these, and other associated Frank-Kasper phases, have nearly degenerate free energies, suggesting that processing history drives the material into long-lived metastable states defined by self-assembled particles with discrete populations of volumes and polyhedral shapes.

Robotics as science (re)form: Exploring power, learning and gender(ed) identity formation in a "community of practice"

NASA Astrophysics Data System (ADS)

Hurner, Sheryl Marie

"Robotics as Science (re)Form" utilizes qualitative research methods to examine the career trajectories and gender identity formation of female youth participating as members of an all-girl, academic team within the male-dominated environment of the FIRST Robotics competition. Following the constant comparative approach (Glaser & Strauss, 1967), my project relies upon triangulating ethnographic data drawn from extensive field notes, semi-structured interviews, and digital and video imagery compiled over two years of participant observation. Drawing upon the sociolinguistic "community of practice" (CoP) framework (Eckert & McConnell-Ginet, 1992; Lave & Wenger, 1991; Wenger, 1998), this study maps the range of gendered "identities" available to girls involved in non-traditional academic and occupational pursuits within a local context, and reveals the nature, structure and impact of power operating within this CoP, a significantly underdeveloped construct within the language and gender literature. These research findings (1) contribute to refining theories of situated or problem based learning with a focus on female youth (Lave & Wenger, 1991; Wenger, 1998); (2) reveal affordances and barriers within the local program design that enable (and preclude) women and minority youth entering the engineering pipeline; and (3) enrich our understanding of intragroup language and gendered "practices" to counter largely essentializing generalizations based upon quantitative analysis. Keywords: Robotics, gender, identity formation, science, STEM, communities of practice

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

Tan, Lizhen; Kim, B. K.; Yang, Ying

Ferritic-martensitic steels such as T91 and NF616 are candidate materials for several nuclear applications. Here, this study evaluates radiation resistance of T91 and NF616 by examining their microstructural evolutions and hardening after the samples were irradiated in the Advanced Test Reactor to ~4.3 displacements per atom (dpa) at an as-run temperature of 469 °C. In general, this irradiation did not result in significant difference in the radiation-induced microstructures between the two steels. Compared to NF616, T91 had a higher number density of dislocation loops and a lower level of radiation-induced segregation, together with a slightly higher radiation-hardening. Unlike dislocation loopsmore » developed in both steels, radiation-induced cavities were only observed in T91 but remained small with sub-10 nm sizes. Lastly, other than the relatively stable M 23C 6, a new phase (likely Sigma phase) was observed in T91 and radiation-enhanced MX → Z phase transformation was identified in NF616. Laves phase was not observed in the samples.« less

Magnetostriction of some rare earth-aluminum Laves phase compounds

NASA Technical Reports Server (NTRS)

Pourarian, F.; Wallace, W. E.

1979-01-01

Measurements of the linear and volume magnetostriction of RAl2 cubic Laves compounds in which R is one of the rare earth elements Gd, Dy, Ho or Er, at temperatures between 4.2 K and the Curie temperature of each compound, are reported. Magnetic fields up to 2.5 Tesla were applied, and magnetostriction was measured using standard strain gage techniques. Saturation magnetostrictions of 17 x 10 to the -6th, -1420 x 10 to the -6th, 60 x 10 to the -6th and -920 x 10 to the -6th are determined at 4.2 K for GdAl2, DyAl2, HoAl2 and ErAl2, respectively. Large forced magnetostriction is observed in GdAl2 above the saturation field and the strain temperature dependence shows a decrease in magnitude below 40 K. A linear dependence of magnetostriction on magnetic field was observed for DyAl2 above 40 K, and the observed temperature dependence is interpreted in terms of the lowest order single-ion magnetoelastic theory. An observed decrease in the magnitude of the strain of HoAl2 below 15 K is associated with a change of the easy direction of magnetization, while in the case of ErAl2, magnetostriction is observed to occur normally up to the Curie temperature. Large volume magnetostriction is obtained for all the compounds with the exception of GdAl2.

Computational design and performance prediction of creep-resistant ferritic superalloys

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

Liaw, Peter K.; Wang, Shao-Yu; Dunand, David C.

Ferritic superalloys containing the B2 phase with the parent L21 phase precipitates in a disordered solid-solution matrix, also known as a hierarchical-precipitate-strengthened ferritic alloy (HPSFA), had been developed for high-temperature structural applications in fossil-energy power plants. These alloys were designed by adding Ti into a previously-studied NiAl-strengthened ferritic alloy (denoted as FBB8 in this study). Following with the concept of HPSFAs, in the present research, a systematic investigation on adding other elements, such as Hf and Zr, and optimizing the Ti content within the alloy system, has been conducted, in order to further improve the creep resistance of the modelmore » alloys. Studies include advanced experimental techniques, first-principles calculations on thermodynamic and mechanical properties, and numerical simulations on precipitation hardening, have been integrated and conducted to characterize the complex microstructures and excellent creep resistance of alloys. The experimental techniques include transmission-electron microscopy (TEM), scanning-electron microscopy (SEM), neutron diffraction (ND), and atom-probe tomography (APT), which provide the detailed microstructural information of the model alloys. Systematic tension/compression creep tests have also been conducted in order to verify the creep resistance of the potential alloy compositions. The results show that when replacing Ti with Hf and Zr, it does not form the L21 phase. Instead, the hexagonal Laves phase forms and distributes majorly along the grain boundary, or large segregation within grains. Since the Laves phase does not form parent to the B2-phase precipitates, it cannot bring the strengthening effect of HPSFAs. As a result, the FBB8 + 2 wt. % Hf and FBB8 + 2 wt. % Zr alloys have similar mechanical properties to the original FBB8. The FBB8 + Ti series alloys had also been studied, from the creep tests and microstructural characterizations, the FBB8 + 3.5 wt.% Ti possesses the greatest creep resistance, with the L21/B2 phase ratio of 4 (80% of the precipitates is the L21 phase, and 20% is the B2 phase). First-principles calculations include thermodynamics, elastic properties, and interfacial properties, which have been conducted for the understanding of the thermodynamic and mechanical properties of HPSFAs. In addition to the systematic experimental approach and first-principles calculations, a series of numerical tools and algorithms, which assist in the optimization of creep properties of ferritic superalloys, are utilized and developed. These numerical simulation results are compared with the available experimental data and previous first-principles calculations, providing the deep insight of creep mechanisms of the creep-resistant ferritic superalloys. To conclude the present research, we’ve found that (1) only FBB8 + Ti alloys have the potential of forming HPSFA, and FBB8 + Hf and FBB8 + Zr do not work. Therefore, only FBB8 + Ti alloys have desirable creep resistance, (2) the optimum composition for the FBB8 + Ti alloys is FBB8 + 3.5% Ti, which has the greatest creep resistance (218.8 MPa as the threshold stress at 700 oC), (3) first-principle calculations obtained results that could not be obtained in experiments, which are relevant to develop ferritic superalloys with the improved creep resistance, and (4) two-dimensional dislocation-dynamics simulations investigate effects of factors like precipitate volume fractions and precipitate radii in the alloy systems, which helps in developing the most desirable microstructure with greatest strengthening.« less

Magnetic properties and magnetostriction of PrxNd1-xFe1.9 (0 <= x <= 1.0) alloys at low temperature

NASA Astrophysics Data System (ADS)

Wang, Yong; Tang, Shao-Long; Li, Yu-Long; Xie, Ren; Du, You-Wei

2013-03-01

The crystal structure, magnetic and magnetostrictive properties of high-pressure synthesized PrxNd1-xFe1.9 (0 <= x <= 1.0) alloys were studied. The alloys exhibit single cubic Laves phase with MgCu2-type structure. The initial magnetization curve reveals that Pr0.2Nd0.8Fe1.9 has a minimum magnetocrystalline anisotropy at 5 K. The magnetostriction curve at 5 K shows that Pr0.2Nd0.8Fe1.9 has a very good low-field magnetostrictive property, and the magnetostriction of the PrxNd1-xFe1.9 alloy in high magnetic field is attributable mainly to Pr. The temperature dependence of the magnetostriction (λ‖) at the field of 5 kOe shows that the substitution of Nd reduces the K1 remarkably, and the values of λ‖ of Pr0.2Nd0.8Fe1.9 and Pr0.8Nd0.2Fe1.9 alloys are nearly five times larger than that of the PrFe1.9 alloy below 50 K; the λ‖ of Pr0.8Nd0.2Fe1.9 reaches up to 1082 ppm at 100 K, which makes it a potential candidate for application in this temperature range.

Absence of dynamic strain aging in an additively manufactured nickel-base superalloy.

PubMed

Beese, Allison M; Wang, Zhuqing; Stoica, Alexandru D; Ma, Dong

2018-05-25

Dynamic strain aging (DSA), observed macroscopically as serrated plastic flow, has long been seen in nickel-base superalloys when plastically deformed at elevated temperatures. Here we report the absence of DSA in Inconel 625 made by additive manufacturing (AM) at temperatures and strain rates where DSA is present in its conventionally processed counterpart. This absence is attributed to the unique AM microstructure of finely dispersed secondary phases (carbides, N-rich phases, and Laves phase) and textured grains. Based on experimental observations, we propose a dislocation-arrest model to elucidate the criterion for DSA to occur or to be absent as a competition between dislocation pipe diffusion and carbide-carbon reactions. With in situ neutron diffraction studies of lattice strain evolution, our findings provide a new perspective for mesoscale understanding of dislocation-solute interactions and their impact on work-hardening behaviors in high-temperature alloys, and have important implications for tailoring thermomechanical properties by microstructure control via AM.

Phase Evolution in and Creep Properties of Nb-Rich Nb-Si-Cr Eutectics

NASA Astrophysics Data System (ADS)

Gang, Florian; Kauffmann, Alexander; Heilmaier, Martin

2018-03-01

In this work, the Nb-rich ternary eutectic in the Nb-Si-Cr system has been experimentally determined to be Nb-10.9Si-28.4Cr (in at. pct). The eutectic is composed of three main phases: Nb solid solution (Nbss), β-Cr2Nb, and Nb9(Si,Cr)5. The ternary eutectic microstructure remains stable for several hundred hours at a temperature up to 1473 K (1200 °C). At 1573 K (1300 °C) and above, the silicide phase Nb9(Si,Cr)5 decomposes into α-Nb5Si3, Nbss, and β-Cr2Nb. Under creep conditions at 1473 K (1200 °C), the alloy deforms by dislocation creep while the major creep resistance is provided by the silicide matrix. If the silicide phase is fragmented and, thus, its matrix character is destroyed by prior heat treatment [ e.g., at 1773 K (1500 °C) for 100 hours], creep is mainly controlled by the Laves phase β-Cr2Nb, resulting in increased minimum strain rates. Compared to state of the art Ni-based superalloys, the creep resistance of this three-phase eutectic alloy is significantly higher.

Experimental Investigation and Analytical Prediction of σ-Phase Precipitation in AISI 316L Austenitic Stainless Steel

NASA Astrophysics Data System (ADS)

Sahlaoui, Habib; Sidhom, Habib

2013-07-01

The phase precipitation in industrial AISI 316L stainless steel during aging for up to 80,000 hours between 823 K and 1073 K (550 °C and 800 °C) has been studied using transmission electron microscopy, scanning transmission electron microscopy, and carbon replica energy-dispersive X-ray microanalysis. Three phases were identified: Chromium carbides (M23C6), Laves phase ( η), and σ-phase (Fe-Cr). M23C6 carbide precipitation occurred firstly and was followed by the η and σ-phases at grain boundaries when the aging temperature is higher than 873 K (600 °C). Precipitation and growth of M23C6 create chromium depletion zones at the grain boundaries and also retard the σ-phase formation. Thus, the σ-phase is controlled by the kinetic of chromium bulk diffusion and can appear only when the chromium reaches, at grain boundaries and at the M23C6/ γ and M23C6/ η/ γ interfaces, content higher than a critical value obtained by self-healing. An analytical model, based on equivalent chromium content, has been established in this study and successfully validated to predict the time-temperature-precipitation diagram of the σ-phase. The obtained diagram is in good agreement with the experimental results.

Pressure effect on spin-glass behavior in Ce0.9Er0.1Al2

NASA Astrophysics Data System (ADS)

Wakiya, Kazuhei; Hu, Guanghui; Fuseya, Ryohei; Ohashi, Masashi; Uehara, Masatomo; Umehara, Izuru

2018-05-01

The dc magnetization and ac susceptibility of the Laves phase compound Ce0.9Er0.1Al2 have been measured at ambient and high pressures up to 1.1 GPa. The ac susceptibility shows a peak at around Tf 2.5 K, and Tf shifts to higher temperatures with an increase in the measuring frequency. Below Tf, the zero-field-cooled (ZFC) and field-cooled (FC) dc magnetizations separate from each other. Furthermore, long-time magnetic relaxation behavior is observed. These results indicate that a spin-glass state is formed below Tf. We found that the Tf determined by dc magnetization measurement decreases with an increase in pressure.

Study of Creep of Alumina-Forming Austenitic Stainless Steel for High-Temperature Energy Applications

NASA Astrophysics Data System (ADS)

Afonina, Natalie Petrovna

To withstand the high temperature (>700°C) and pressure demands of steam turbines and boilers used for energy applications, metal alloys must be economically viable and have the necessary material properties, such as high-temperature creep strength, oxidation and corrosion resistance, to withstand such conditions. One promising class of alloys potentially capable of withstanding the rigors of aggressive environments, are alumina-forming austenitic stainless steels (AFAs) alloyed with aluminum to improve corrosion and oxidation resistance. The effect of aging on the microstructure, high temperature constant-stress creep behavior and mechanical properties of the AFA-type alloy Fe-20Cr-30Ni-2Nb-5Al (at.%) were investigated in this study. The alloy's microstructural evolution with increased aging time was observed prior to creep testing. As aging time increased, the alloy exhibited increasing quantities of fine Fe2Nb Laves phase dispersions, with a precipitate-free zone appearing in samples with higher aging times. The presence of the L1 2 phase gamma'-Ni3Al precipitate was detected in the alloy's matrix at 760°C. A constant-stress creep rig was designed, built and its operation validated. Constant-stress creep tests were performed at 760°C and 35MPa, and the effects of different aging conditions on creep rate were investigated. Specimens aged for 240 h exhibited the highest creep rate by a factor of 5, with the homogenized sample having the second highest rate. Samples aged for 2.4 h and 24 h exhibited similar low secondary creep rates. Creep tests conducted at 700oC exhibited a significantly lower creep rate compared to those at 760oC. Microstructural analysis was performed on crept samples to explore high temperature straining properties. The quantity and size of Fe2Nb Laves phase and NiAl particles increased in the matrix and on grain boundaries with longer aging time. High temperature tensile tests were performed and compared to room temperature results. The high temperature results were significantly lower when compared to room temperature values. Higher creep rates were correlated with lower yield strengths.

Contribution à la systématique des laves alcalines, les laves du rift de l'Afrique Centrale (Zaïre-Uganda)

NASA Astrophysics Data System (ADS)

Pouclet, A.

1980-09-01

The lavas of the Central Africa rift (Western rift) are distributed in three groups with increasing alkalinity. The petrographical and chemical data give a classification of seven series: one series of alkaline-basalts in the first weakly alkaline group, two basanitic, sodic or potassic, series in the second fairly alkaline group, and four nephelinitic, melilitic, perpotassic or carbonatitic series in the third strongly alkaline group. The definitions of all these lavas are reviewed. We propose a simplified terminology with, in particular, a K-lavas’ nomenclature parallel to the Na-lavas’ one and a division using the DI of Thornton and Tuttle (1960).

Autonomous Filling of Grain-Boundary Cavities during Creep Loading in Fe-Mo Alloys

NASA Astrophysics Data System (ADS)

Zhang, S.; Fang, H.; Gramsma, M. E.; Kwakernaak, C.; Sloof, W. G.; Tichelaar, F. D.; Kuzmina, M.; Herbig, M.; Raabe, D.; Brück, E.; van der Zwaag, S.; van Dijk, N. H.

2016-10-01

We have investigated the autonomous repair of creep damage by site-selective precipitation in a binary Fe-Mo alloy (6.2 wt pct Mo) during constant-stress creep tests at temperatures of 813 K, 823 K, and 838 K (540 °C, 550 °C, and 565 °C). Scanning electron microscopy studies on the morphology of the creep-failed samples reveal irregularly formed deposits that show a close spatial correlation with the creep cavities, indicating the filling of creep cavities at grain boundaries by precipitation of the Fe2Mo Laves phase. Complementary transmission electron microscopy and atom probe tomography have been used to characterize the precipitation mechanism and the segregation at grain boundaries in detail.

Activation characteristics of multiphase Zr-based hydrogen storage alloys for Ni/MH rechargeable batteries

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

Lee, H.; Lee, S.M.; Lee, J.Y.

1999-10-01

AB{sub 2} type Zr-based Laves phase alloys have been studied for possible use as negative electrodes of Ni/MH batteries with high hydrogen storage capacity. However, these alloys have the serious problem of slow activation owing to the formation of surface oxide films. To overcome this problem, alloys with multiphase microstructures have been developed. These alloys become electrochemically active via the creation of micropores by the dissolution of soluble oxide components such as vanadium oxide. However, this phenomenon has been described based only on changes in the chemical composition of the oxide layer. In the present study, this phenomenon is approachedmore » with respect to interactions between the constituent phases. An electrochemical analysis of constituent phases showed that the second phase, resulting in localized Ni-rich pits on the alloy surface. The presence of microcracks at the periphery of the Ni-rich pits after 30 h exposure to KOH electrolyte implies that hydrogen is absorbed preferentially at Ni-rich pits, thereby forming a large active surface area. However, such multiphase alloys have poor cycle durability due to the persistent dissolution of components in the second phase. Through Cr substitution, the authors have developed a family of durable alloys to prevent this unwanted dissolution from the second phase.« less

Long-term behaviour of solid oxide fuel cell interconnect materials in contact with Ni-mesh during exposure in simulated anode gas at 700 and 800 °C

NASA Astrophysics Data System (ADS)

Garcia-Fresnillo, L.; Shemet, V.; Chyrkin, A.; de Haart, L. G. J.; Quadakkers, W. J.

2014-12-01

In the present study the long-term behaviour of two ferritic steels, Crofer 22 APU and Crofer 22H, in contact with a Ni-mesh during exposure in simulated anode gas, Ar-4%H2-2%H2O, at 700 and 800 °C for exposure times up to 3000 h was investigated. Ni diffusion from the Ni-mesh into the steel resulted in the formation of an austenitic zone whereas diffusion of iron and chromium from the steel into the Ni-mesh resulted in the formation of chromia base oxides in the Ni-mesh. Depending on the chemical composition of the steel, the temperature and the exposure time, interdiffusion processes between ferritic steel and Ni-mesh also resulted in σ-phase formation at the austenite-ferrite interface and in Laves-phase dissolution in the austenitic zone. The extent and morphology of the σ-phase formation are discussed on the basis of thermodynamic considerations, including reaction paths in the ternary alloy system Fe-Ni-Cr.

Ultrasonic Sensor Signals and Optimum Path Forest Classifier for the Microstructural Characterization of Thermally-Aged Inconel 625 Alloy

PubMed Central

de Albuquerque, Victor Hugo C.; Barbosa, Cleisson V.; Silva, Cleiton C.; Moura, Elineudo P.; Rebouças Filho, Pedro P.; Papa, João P.; Tavares, João Manuel R. S.

2015-01-01

Secondary phases, such as laves and carbides, are formed during the final solidification stages of nickel-based superalloy coatings deposited during the gas tungsten arc welding cold wire process. However, when aged at high temperatures, other phases can precipitate in the microstructure, like the γ” and δ phases. This work presents an evaluation of the powerful optimum path forest (OPF) classifier configured with six distance functions to classify background echo and backscattered ultrasonic signals from samples of the inconel 625 superalloy thermally aged at 650 and 950 °C for 10, 100 and 200 h. The background echo and backscattered ultrasonic signals were acquired using transducers with frequencies of 4 and 5 MHz. The potentiality of ultrasonic sensor signals combined with the OPF to characterize the microstructures of an inconel 625 thermally aged and in the as-welded condition were confirmed by the results. The experimental results revealed that the OPF classifier is sufficiently fast (classification total time of 0.316 ms) and accurate (accuracy of 88.75% and harmonic mean of 89.52) for the application proposed. PMID:26024416

Ultrasonic sensor signals and optimum path forest classifier for the microstructural characterization of thermally-aged inconel 625 alloy.

PubMed

de Albuquerque, Victor Hugo C; Barbosa, Cleisson V; Silva, Cleiton C; Moura, Elineudo P; Filho, Pedro P Rebouças; Papa, João P; Tavares, João Manuel R S

2015-05-27

Secondary phases, such as laves and carbides, are formed during the final solidification stages of nickel-based superalloy coatings deposited during the gas tungsten arc welding cold wire process. However, when aged at high temperatures, other phases can precipitate in the microstructure, like the γ'' and δ phases. This work presents an evaluation of the powerful optimum path forest (OPF) classifier configured with six distance functions to classify background echo and backscattered ultrasonic signals from samples of the inconel 625 superalloy thermally aged at 650 and 950 °C for 10, 100 and 200 h. The background echo and backscattered ultrasonic signals were acquired using transducers with frequencies of 4 and 5 MHz. The potentiality of ultrasonic sensor signals combined with the OPF to characterize the microstructures of an inconel 625 thermally aged and in the as-welded condition were confirmed by the results. The experimental results revealed that the OPF classifier is sufficiently fast (classification total time of 0.316 ms) and accurate (accuracy of 88.75%" and harmonic mean of 89.52) for the application proposed.

Mechanical behavior of post-processed Inconel 718 manufactured through the electron beam melting process

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

Kirka, Michael M.; Medina, Frank; Dehoff, Ryan R.

Here, the electron beam melting (EBM) process was used to fabricate Inconel 718. The microstructure and tensile properties were characterized in both the as-fabricated and post-processed state transverse (T-orientation) and longitudinal (L-orientation) to the build direction. Post-processing involved both a hot isostatic pressing (HIP) and solution treatment and aging (STA) to homogenize the microstructure. In the as-fabricated state, EBM Inconel 718 exhibits a spatially dependent microstructure that is a function of build height. Spanning the last few layers is a cored dendritic structure comprised of the products (carbides and Laves phase) predicted under equilibrium solidification conditions. With increasing distance frommore » the build's top surface, the cored dendritic structure becomes increasingly homogeneous with complete dissolution of the secondary dendrite arms. Further, temporal phase kinetics are observed to lead to the dissolution of the strengthening γ"γ" and precipitation of networks of fine δ needles that span the grains. Microstructurally, post-processing resulted in dissolution of the δ networks and homogeneous precipitation of γ'"γ'" throughout the height of the build. In the as-fabricated state, the monotonic tensile behavior exhibits a height sensitivity within the T-orientation at both 20 and 650 °C. Along the L-orientation, the tensile behavior exhibits strength values comparable to the reference wrought material in the fully heat-treated state. After post-processing, the yield strength, ultimate strength, and elongation at failure for the EBM Inconel 718 were observed to have beneficially increased compared to the as-fabricated material. Further, as a result of post-processing the spatial variance of the ultimate yield strength and elongation at failure within the transverse direction decreased by 4 and 3× respectively.« less

Mechanical behavior of post-processed Inconel 718 manufactured through the electron beam melting process

DOE PAGES

Kirka, Michael M.; Medina, Frank; Dehoff, Ryan R.; ...

2016-10-21

Here, the electron beam melting (EBM) process was used to fabricate Inconel 718. The microstructure and tensile properties were characterized in both the as-fabricated and post-processed state transverse (T-orientation) and longitudinal (L-orientation) to the build direction. Post-processing involved both a hot isostatic pressing (HIP) and solution treatment and aging (STA) to homogenize the microstructure. In the as-fabricated state, EBM Inconel 718 exhibits a spatially dependent microstructure that is a function of build height. Spanning the last few layers is a cored dendritic structure comprised of the products (carbides and Laves phase) predicted under equilibrium solidification conditions. With increasing distance frommore » the build's top surface, the cored dendritic structure becomes increasingly homogeneous with complete dissolution of the secondary dendrite arms. Further, temporal phase kinetics are observed to lead to the dissolution of the strengthening γ"γ" and precipitation of networks of fine δ needles that span the grains. Microstructurally, post-processing resulted in dissolution of the δ networks and homogeneous precipitation of γ'"γ'" throughout the height of the build. In the as-fabricated state, the monotonic tensile behavior exhibits a height sensitivity within the T-orientation at both 20 and 650 °C. Along the L-orientation, the tensile behavior exhibits strength values comparable to the reference wrought material in the fully heat-treated state. After post-processing, the yield strength, ultimate strength, and elongation at failure for the EBM Inconel 718 were observed to have beneficially increased compared to the as-fabricated material. Further, as a result of post-processing the spatial variance of the ultimate yield strength and elongation at failure within the transverse direction decreased by 4 and 3× respectively.« less

Microstructural evolution of neutron-irradiated T91 and NF616 to ~4.3 dpa at 469 °C

DOE PAGES

Tan, Lizhen; Kim, B. K.; Yang, Ying; ...

2017-05-30

Ferritic-martensitic steels such as T91 and NF616 are candidate materials for several nuclear applications. Here, this study evaluates radiation resistance of T91 and NF616 by examining their microstructural evolutions and hardening after the samples were irradiated in the Advanced Test Reactor to ~4.3 displacements per atom (dpa) at an as-run temperature of 469 °C. In general, this irradiation did not result in significant difference in the radiation-induced microstructures between the two steels. Compared to NF616, T91 had a higher number density of dislocation loops and a lower level of radiation-induced segregation, together with a slightly higher radiation-hardening. Unlike dislocation loopsmore » developed in both steels, radiation-induced cavities were only observed in T91 but remained small with sub-10 nm sizes. Lastly, other than the relatively stable M 23C 6, a new phase (likely Sigma phase) was observed in T91 and radiation-enhanced MX → Z phase transformation was identified in NF616. Laves phase was not observed in the samples.« less

Effects of silicon on the oxidation, hot-corrosion, and mechanical behavior of two cast nickel-base superalloys

NASA Technical Reports Server (NTRS)

Miner, R. V., Jr.

1977-01-01

Cast specimens of nickel-base superalloys 713C and Mar-M200 with nominal additions of 0, 0.5, and 1 wt% Si were evaluated for oxidation and corrosion resistance, tensile and stress-rupture properties, microstructure, and phase relations. Results are compared with those of an earlier study of the effects of Si in B-1900. Si had similar effects on all three superalloys. It improves oxidation resistance but the improvement in 713C and Mar-M200 was considerably less than in B-1900. Hot-corrosion resistance is also improved somewhat. Si is, however, detrimental to mechanical properties, in particular, rupture strength and tensile ductility. Si has two obvious microstructural effects. It increases the amount of gamma-prime precipitated in eutectic nodules and promotes a Mo(Ni,Si)2 Laves phase in the alloys containing Mo. These microstructural effects do not appear responsible for the degradation of mechanical properties, however.

Development of a Novel, Bicombinatorial Approach to Alloy Development, and Application to Rapid Screening of Creep Resistant Titanium Alloys

NASA Astrophysics Data System (ADS)

Martin, Brian

Combinatorial approaches have proven useful for rapid alloy fabrication and optimization. A new method of producing controlled isothermal gradients using the Gleeble Thermomechanical simulator has been developed, and demonstrated on the metastable beta-Ti alloy beta-21S, achieving a thermal gradient of 525-700 °C. This thermal gradient method has subsequently been coupled with existing combinatorial methods of producing composition gradients using the LENS(TM) additive manufacturing system, through the use of elemental blended powders. This has been demonstrated with a binary Ti-(0-15) wt% Cr build, which has subsequently been characterized with optical and electron microscopy, with special attention to the precipitate of TiCr2 Laves phases. The TiCr2 phase has been explored for its high temperature mechanical properties in a new oxidation resistant beta-Ti alloy, which serves as a demonstration of the new bicombinatorial methods developed as applied to a multicomponent alloy system.

Directional Solidification and Mechanical Properties of NiAl-NiAlTa Alloys

NASA Technical Reports Server (NTRS)

Johnson, D. R.; Chen, X. F.; Oliver, B. F.; Noebe, R. D.; Whittenberger, J. D.

1995-01-01

Directional solidification of eutectic alloys is a promising technique for producing in-situ composite materials exhibiting a balance of properties. Consequently, the microstructure, creep strength and fracture toughness of directionally solidified NiAl-NiAlTa alloys were investigated. Directional solidification was performed by containerless processing techniques to minimize alloy contamination. The eutectic composition was found to be NiAl-15.5 at% Ta and well-aligned microstructures were produced at this composition. A near-eutectic alloy of NiAl-14.5Ta was also investigated. Directional solidification of the near-eutectic composition resulted in microstructures consisting of NiAl dendrites surrounded by aligned eutectic regions. The off-eutectic alloy exhibited promising compressive creep strengths compared to other NiAl-based intermetallics, while preliminary testing indicated that the eutectic alloy was competitive with Ni-base single crystal superalloys. The room temperature toughness of these two-phase alloys was similar to that of polycrystalline NiAl even with the presence of the brittle Laves phase NiAlTa.

Superconductivity in the lanthanum-yttrium-manganese alloy system

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

Stierman, R.J.

An empirical approach involving lattice instabilities was investigated in the search for new superconducting materials. Pseudo-lanthanide compounds using La and Y were prepared for the system La/sub 1-x/Y/sub x/Mn/sub 2/ by arc melting and subsequent heat treatment. Low temperature magnetic susceptibility and low temperature heat capacity measurements were made. The unit cell lattice parameters were determined from x-ray powder patterns taken on most samples and metallographic examination was carried out on selected samples. Alloys with low La concentrations (x greater than or equal to 0.6) showed RMn/sub 2/ in the cubic C15 Laves phase as the major component with secondmore » phase material present. The magnetic susceptibility and x-ray data indicated a superconducting phase which seemed to be the RMn/sub 2/ phase, but heat capacity measurements showed the second phase material was the superconductor, while the RMn/sub 2/ was not. Failure to form compounds with higher La content was experienced and may be due to the lattice instability expected at x = 0.56. This indicates that perhaps more stingent conditions are required to form pseudo-lanthanide compounds than were previously considered. More systems should be investigated to see if this is true, and to determine the possibilities of this approach.« less

Size-controlled, magnetic, and core-shell nanoparticles synthesized by inert-gas condensation

NASA Astrophysics Data System (ADS)

Koten, Mark A.

Interest in nanoparticles (2 to 100 nm in diameter) and clusters of atoms (0.5 to 2 nm in diameter) has heightened over the past two and a half decades on both fundamental and functional levels. Nanoparticles and clusters of atoms are an exciting branch of materials science because they do not behave like normal bulk matter, nor do they act like molecules. They can have shockingly different physical, chemical, optical, or magnetic properties from the same material at a larger scale. In the case of nanoparticles, the surface-to-volume ratio can change fundamental properties like melting temperature, binding energy, or electron affinity. The definitions of markers used to distinguish between metallic, semiconducting, and insulating bulk condensed matter, such as the band gap and polarizability, can even be blurred or confused on the nanoscale. Similarly, clusters of atoms can form in structures that are only stable at finite sizes, and do not translate to bulk condensed matter. Thermodynamics of finite systems changes dramatically in nanovolumes such as wires, rods, cubes, and spheres, which can lead to complex core-shell and onion-like nanostructures. Consequently, these changes in properties and structure have led to many new possibilities in the field of materials engineering. Inert-gas condensation (IGC) is a well-established method of producing nanoparticles that condense from the gas phase. Its first use dates back to the early 1990s, and it has been used to fabricate nanoparticles both commercially and in research and development for applications in magnetism, biomedicine, and catalysts. In this dissertation, IGC was used to produce a wide variety of nanoparticles. First, control over the size distributions of Cu nanoparticles and how it relates to the plasma properties inside the nucleation chamber was investigated. Next, the formation of phase pure WFe2 nanoparticles revealed that this Laves phase is ferromagnetic instead of non-magnetic. Finally, core-shell nanoparticles were produced using three thermodynamically different systems, which showed that IGC could be used to produce a wide variety of core-shell particles. These three projects are presented in the context of size-dependent structural and magnetic properties.

National Dam Safety Program. Conklingville Dam, Inventory no. NY 146, Upper Hudson River Basin, Saratoga County, New York. Phase 1 Inspection Report

DTIC Science & Technology

1978-07-31

on o ti pand inlna nto- tho horizonta r ip , of thpese j6ihtj cracks ’qro vary #mpor-tant tactors whIlh, dairedt3.y r, ntrol thpe stabili.ty o2 tile...dvxolpll Vmay ~ ju~ d b wil und 1 󈧏. ~ ir to ,r ww. 1r -okc ’ard :l~ave 3-~v.t’ voz f;- IxppOrl6 oxcopl, fr~Ioton- alon the’iid4 g2 planes.~ I...8217" dnn usi~zgsbippin hiss wi~’h wil be fn~sh4 Ppr sfand oo -1), 4hd culk f L*t’s ip ±iic o.cmntr p u ~y ..-&i a- to .... ~ V V w 101 %,S. &V 6. ~A

Mechanical properties of 8Cr-2WVTa steel aged for 30 000 h

NASA Astrophysics Data System (ADS)

Tamura, M.; Shinozuka, K.; Esaka, H.; Sugimoto, S.; Ishizawa, K.; Masamura, K.

2000-12-01

A mill production plate of a reduced activation ferritic steel was thermally aged for up to 30 000 h at 400-650°C. Charpy impact tests, creep rupture tests and hardness tests were conducted. Both Vickers hardness number and creep strength decrease with aging at 650°C. The ductile-brittle transition temperature (DBTT) increases with both aging time and aging temperature. However, the DBTT does not exceed +20°C even after aging at 650°C for 30 000 h. Extracted residues and extraction replicas were analyzed metallurgically. The increase in DBTT is related mainly to the precipitation of Laves phase on the prior austenite grain boundaries. The rather low DBTT after aging is caused by the fine prior austenitic grain size.

Collapse of ferromagnetism in itinerant-electron system: A magnetic, transport properties, and high pressure study of (Hf,Ta)Fe2 compounds

NASA Astrophysics Data System (ADS)

Diop, L. V. B.; Kastil, J.; Isnard, O.; Arnold, Z.; Kamarad, J.

2014-10-01

The magnetism and transport properties were studied for Laves (Hf,Ta)Fe2 itinerant-electron compounds, which exhibit a temperature-induced first-order transition from the ferromagnetic (FM) to the antiferromagnetic (AFM) state upon heating. At finite temperatures, the field-induced metamagnetic phase transition between the AFM and FM has considerable effects on the transport properties of these model metamagnetic compounds. A large negative magnetoresistance of about 14% is observed in accordance with the metamagnetic transition. The magnetic phase diagram is determined for the Laves Hf1-xTaxFe2 series and its Ta concentration dependence discussed. An unusual behavior is revealed in the paramagnetic state of intermediate compositions, it gives rise to the rapid increase and saturation of the local spin fluctuations of the 3d electrons. This new result is analysed in the frame of the theory of Moriya. For a chosen composition Hf0.825Ta0.175Fe2, exhibiting such remarkable features, a detailed investigation is carried out under hydrostatic pressure up to 1 GPa in order to investigate the volume effect on the magnetic properties. With increasing pressure, the magnetic transition temperature TFM-AFM from ferromagnetic to antiferromagnetic order decreases strongly non-linearly and disappears at a critical pressure of 0.75 GPa. In the pressure-induced AFM state, the field-induced first-order AFM-FM transition appears and the complex temperature dependence of the AFM-FM transition field is explained by the contribution from both the magnetic and elastic energies caused by the significant temperature variation of the amplitude of the local Fe magnetic moment. The application of an external pressure leads also to the progressive decrease of the Néel temperature TN. In addition, a large pressure effect on the spontaneous magnetization MS for pressures below 0.45 GPa, dln(Ms)/dP = -6.3 × 10-2 GPa-1 was discovered. The presented results are consistent with Moriya's theoretical predictions and can significantly help to better understand the underlying physics of itinerant electron magnetic systems nowadays widely investigated for both fundamental and applications purposes.

Laser Engineered Net Shaping of Nickel-Based Superalloy Inconel 718 Powders onto AISI 4140 Alloy Steel Substrates: Interface Bond and Fracture Failure Mechanism

PubMed Central

Kim, Hoyeol; Cong, Weilong; Zhang, Hong-Chao; Liu, Zhichao

2017-01-01

As a prospective candidate material for surface coating and repair applications, nickel-based superalloy Inconel 718 (IN718) was deposited on American Iron and Steel Institute (AISI) 4140 alloy steel substrate by laser engineered net shaping (LENS) to investigate the compatibility between two dissimilar materials with a focus on interface bonding and fracture behavior of the hybrid specimens. The results show that the interface between the two dissimilar materials exhibits good metallurgical bonding. Through the tensile test, all the fractures occurred in the as-deposited IN718 section rather than the interface or the substrate, implying that the as-deposited interlayer bond strength is weaker than the interfacial bond strength. From the fractography using scanning electron microscopy (SEM) and energy disperse X-ray spectrometry (EDS), three major factors affecting the tensile fracture failure of the as-deposited part are (i) metallurgical defects such as incompletely melted powder particles, lack-of-fusion porosity, and micropores; (ii) elemental segregation and Laves phase, and (iii) oxide formation. The fracture failure mechanism is a combination of all these factors which are detrimental to the mechanical properties and structural integrity by causing premature fracture failure of the as-deposited IN718. PMID:28772702

Laser Engineered Net Shaping of Nickel-Based Superalloy Inconel 718 Powders onto AISI 4140 Alloy Steel Substrates: Interface Bond and Fracture Failure Mechanism.

PubMed

Kim, Hoyeol; Cong, Weilong; Zhang, Hong-Chao; Liu, Zhichao

2017-03-25

As a prospective candidate material for surface coating and repair applications, nickel-based superalloy Inconel 718 (IN718) was deposited on American Iron and Steel Institute (AISI) 4140 alloy steel substrate by laser engineered net shaping (LENS) to investigate the compatibility between two dissimilar materials with a focus on interface bonding and fracture behavior of the hybrid specimens. The results show that the interface between the two dissimilar materials exhibits good metallurgical bonding. Through the tensile test, all the fractures occurred in the as-deposited IN718 section rather than the interface or the substrate, implying that the as-deposited interlayer bond strength is weaker than the interfacial bond strength. From the fractography using scanning electron microscopy (SEM) and energy disperse X-ray spectrometry (EDS), three major factors affecting the tensile fracture failure of the as-deposited part are (i) metallurgical defects such as incompletely melted powder particles, lack-of-fusion porosity, and micropores; (ii) elemental segregation and Laves phase, and (iii) oxide formation. The fracture failure mechanism is a combination of all these factors which are detrimental to the mechanical properties and structural integrity by causing premature fracture failure of the as-deposited IN718.

Microstructural Characterization of a Polycrystalline Nickel-Based Superalloy Processed via Tungsten-Intert-Gas-Shaped Metal Deposition

NASA Astrophysics Data System (ADS)

Clark, Daniel; Bache, Martin R.; Whittaker, Mark T.

2010-12-01

Recent trials have produced tungsten-inert-gas (TIG)-welded structures of a suitable scale to allow an evaluation of the technique as an economic and commercial process for the manufacture of complex aeroengine components. The employment of TIG welding is shown to have specific advantages over alternative techniques based on metal inert gas (MIG) systems. Investigations using the nickel-based superalloy 718 have shown that TIG induces a smaller weld pool with less compositional segregation. In addition, because the TIG process involves a pulsed power source, a faster cooling rate is achieved, although this rate, in turn, compromises the deposition rate. The microstructures produced by the two techniques differ significantly, with TIG showing an absence of the detrimental delta and Laves phases typically produced by extended periods at a high temperature using MIG. Instead, an anisotropic dendritic microstructure was evident with a preferred orientation relative to the axis of epitaxy. Niobium was segregated to the interdendritic regions. A fine-scale porosity was evident within the microstructure with a maximum diameter of approximately 5 μm. This porosity often was found in clusters and usually was associated with the interdendritic regions. Subsequent postdeposition heat treatment was shown to have no effect on preexisting porosity and to have a minimal effect on the microstructure.

Self-consistent full-potential linearized-augmented-plane-wave local-density electronic-structure studies of magnetism and superconductivity in C15 compounds: ZrZn2 and ZrV2

NASA Astrophysics Data System (ADS)

Huang, Mei-Chun; Jansen, H. J. F.; Freeman, A. J.

1988-03-01

The electronic structure and properties of the cubic Laves phase (C15) compounds ZrZn2 and ZrV2 have been determined using our all-electron full-potential linearized-augmented-plane-wave (FLAPW) method for bulk solids. The computations were performed in two stages: (i) self-consistent warped muffin tin and (ii) self-consistent full potential. Spin-orbit coupling was included after either stage. The effects of the inclusion of the nonspherical terms inside the muffin tins on the eigenvalues is found to be small (of order 1 mRy). However, due to the fact that some of the bands near the Fermi level are flat, this effect leads to a much higher value of the density of states at EF in ZnZr2. The most important difference between the materials ZrZn2 and ZrV2 is the position of the d bands derived from the Zr and V atoms. Consequently, these materials have completely different Fermi surfaces. We have investigated the magnetic properties of these compounds by evaluating their generalized Stoner factors and found agreement with experiment. Our results for the superconducting transition temperature for these materials is found to be strongly dependent on the spin fluctuation parameter μsp. Of course, because of the magnetic transition, superconductivity cannot be observed in ZnZr2.

Expressive language of two year-old pre-term and full-term children.

PubMed

Isotani, Selma Mie; Azevedo, Marisa Frasson de; Chiari, Brasília Maria; Perissinoto, Jacy

2009-01-01

expressive language of pre-term children. to compare the expressive vocabulary of two year-old children born prematurely, to that of those born at term. the study sample was composed by 118 speech-language assessment protocols, divided in two groups: the pre-term group (PTG) composed by 58 underweight premature children followed by a multi-professional team at the Casa do Prematuro (House of Premature Children) at Unifesp, and the full-term group (FTG) composed by 60 full-term born children. In order to evaluate the expressive language of these children, the Lave - Lista de Avaliação do Vocabulário Expressivo (Assessment List of the Expressive Vocabulary) was used. The Lave is an adaptation of the LDS - Language Development Survey - for the Brazilian Portuguese Language. The Lave investigates the expressive language and detects delays in oral language. children born underweight and prematurely present a greater occurrence of expressive language delay, 27.6%. These pre-term children present significantly lower expressive vocabulary and phrasal extension than children of the same age born at full-term in all semantic categories. Family income proved to be positively associated to phrasal extension, as well as to gestational age and weight at birth; thus indicating the effect of these adverse conditions still during the third year of age. The audiological status was associated to word utterances in the PTG. children born prematurely and underweight are at risk in terms of vocabulary development; this determines the need for speech-therapy intervention programs.

Solidification studies of nanocrystalline and quasicrystalline materials from the undercooled state

NASA Astrophysics Data System (ADS)

Croat, Thomas Kevin

2001-07-01

Nanocrystallization occurring during metallic glass devitrification is studied in Zr-Al-Ni-Cu bulk metallic glasses (BMGs) and Al-RE-TM (RE = rare-earth, TM = transition metal) metallic glasses. The importance of transient nucleation in BMG devitrification was established by a direct transmission electron microscopy (TEM) measurement of the grain density in two-stage annealed samples. TEM examination of low temperature annealed BMGs also suggest that amorphous phase separation is occurring prior to crystallization. Nanocrystallization of rapidly quenched Al-RE-Ni glasses was preceded by the compositional segregation of the initially homogeneous glass into Al-rich and solute-rich regions (mainly nickel-enriched) on a ≈50--100 nm length scale, suggesting amorphous phase separation. This pre-existing compositional modulation on a nanometer scale leads naturally to the development of nanocrystals. The average rare earth radius (rRE) in Al-RE-Ni alloys was altered by co-substitution of chemically similar rare earth elements. In glasses with smaller r RE, nucleation of alpha-Al occurred preferentially near the boundaries of the phase-separated regions. However, phase separation did not universally lead to alpha-Al nanocrystallization; glasses with larger rRE crystallized to metastable intermetallic phases with a 50--100 nm grain size. Kinetic analysis of the alpha-Al crystallization was performed using isothermal DSC, yielding abnormally low Avrami exponents (n = 1.0--1.5); these values were found to be consistent with the observed transformation using a model that considers the overlapping diffusion fields of the alpha-Al grains during growth within the phase separated region. Containerless solidification experiments on Ti-based quasicrystal-forming alloys have been performed using various techniques, including drop-tube solidification, electromagnetic levitation (EML) and electrostatic levitation (ESL). In Ti-Fe-Si-O, the alpha-1/1 quasicrystal approximant phase is found to nucleate directly from the liquid over the range TixFe94-xSi 4(SiO2)2 with 67 < x < 69 in EML experiments. Both the alpha-1/1 phase in Ti-Fe-Si-O and the C14 Laves phase in Ti-Zr-Ni have lower relative undercoolings than nearby crystal phases. This presumably reflects the structural similarity between these polytetrahedral phases and the undercooled liquid, which leads to smaller nucleation barriers and lower maximum undercoolings.

Creep resistant high temperature martensitic steel

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

Hawk, Jeffrey A.; Jablonski, Paul D.; Cowen, Christopher J.

The disclosure provides a creep resistant alloy having an overall composition comprised of iron, chromium, molybdenum, carbon, manganese, silicon, nickel, vanadium, niobium, nitrogen, tungsten, cobalt, tantalum, boron, and potentially additional elements. In an embodiment, the creep resistant alloy has a molybdenum equivalent Mo(eq) from 1.475 to 1.700 wt. % and a quantity (C+N) from 0.145 to 0.205. The overall composition ameliorates sources of microstructural instability such as coarsening of M.sub.23C.sub.6 carbides and MX precipitates, and mitigates or eliminates Laves and Z-phase formation. A creep resistant martensitic steel may be fabricated by preparing a melt comprised of the overall composition followedmore » by at least austenizing and tempering. The creep resistant alloy exhibits improved high-temperature creep strength in the temperature environment of around 650.degree. C.« less

Creep resistant high temperature martensitic steel

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

Hawk, Jeffrey A.; Jablonski, Paul D.; Cowen, Christopher J.

The disclosure provides a creep resistant alloy having an overall composition comprised of iron, chromium, molybdenum, carbon, manganese, silicon, nickel, vanadium, niobium, nitrogen, tungsten, cobalt, tantalum, boron, copper, and potentially additional elements. In an embodiment, the creep resistant alloy has a molybdenum equivalent Mo(eq) from 1.475 to 1.700 wt. % and a quantity (C+N) from 0.145 to 0.205. The overall composition ameliorates sources of microstructural instability such as coarsening of M.sub.23C.sub.6carbides and MX precipitates, and mitigates or eliminates Laves and Z-phase formation. A creep resistant martensitic steel may be fabricated by preparing a melt comprised of the overall composition followedmore » by at least austenizing and tempering. The creep resistant alloy exhibits improved high-temperature creep strength in the temperature environment of around 650.degree. C.« less

Orientation relationship between the T structure and the icosahedral quasicrystal in the Zn-Mg-Al alloy system

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

Nakayama, Kei, E-mail: k.n@aoni.waseda.jp; Watanabe, Junya; Koyama, Yasumasa, E-mail: ykoyama@waseda.jp

2016-08-26

To understand the crystallographic relation between the Bergman-type icosahedral quasicrystal and its approximant-T structure, we have investigated the crystallographic features of prepared Zn-Mg-Al alloy samples, mainly by transmission electron microscopy. It was found that there existed three kinds of regions: that is, C14-Laves, approximant-T, and icosahedral-quasicrystal regions, in Zn-Mg-Al alloy samples with the composition of Zn-36at.%Mg-9at.%Al. Among these regions, in particular, we tried to determine an orientation relationship between neighboring icosahedral-quasicrystal and approximant-T regions. Based on the determined relationship, for instance, four threefold rotatory-inversion axes in the T structure were found to be parallel to four of ten threefold rotatory-inversionmore » axes in the icosahedral quasicrystal. It was thus understood that the atomic arrangements of the Bergman-type icosahedral quasicrystal and its approximant-T structure are likely to resemble each other.« less

Learning Nursing in the Workplace Community: The Generation of Professional Capital

NASA Astrophysics Data System (ADS)

Gobbi, Mary

This chapter explores the connections between learning, working and professional communities in nursing. It draws on experiences and research in nursing practice and education, where not only do isolated professionals learn as a result of their actions for patients and others, but those professionals are part of a community whose associated networks enable learning to occur. Several characteristics of this professional community are shared with those found in Communities of Practice (CoPs) (Lave and Wenger, 1991; Wenger, 1998), but the balance and importance of many elements can differ. For instance, whilst Lave and Wenger (1991) describe many aspects of situated learning in CoPs that apply to nurses, their model is of little help in understanding the ways in which other professions as well as patients/clients and carers influence the development of nursing practice. Therefore, I shall argue that it is not just the Community of Practice that we need to consider

Curie temperature study of {Y(Fe_{1-\\it x} {Co_{\\it x})_2}} and {Zr(Fe_{1-\\it x} {Co_{\\it x})_2}} systems using mean field theory and Monte Carlo method

NASA Astrophysics Data System (ADS)

Wasilewski, Bartosz; Marciniak, Wojciech; Werwiński, Mirosław

2018-05-01

Cubic Laves phases including , , , and are considered as promising candidates for application in hydrogen storage and magnetic refrigeration. While and are ferromagnets, alloying with Co decreases magnetic moments and Curie temperatures (T C) of pseudobinary and systems, leading to the paramagnetic states of and . The following study focuses on the investigation of Curie temperature of the and system from first principles. To do it, Monte Carlo (MC) simulations and the mean field theory (MFT) based on the disordered local moments (DLM) calculations are used. The DLM-MFT results agree qualitatively with the experimental data from the literature and preserve the characteristic features of dependencies for both and . However, we have encountered complications in the Co-rich regions due to failure of the local density approximation (LDA) in describing the Co magnetic moment in the DLM state. The analysis of Fe–Fe exchange couplings for and phases indicates that the nearest-neighbor interactions play the main role in the formation of .

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.

A new strategy to design eutectic high-entropy alloys using simple mixture method

DOE PAGES

Jiang, Hui; Han, Kaiming; Gao, Xiaoxia; ...

2018-01-13

Eutectic high entropy alloys (EHEAs) hold promising industrial application potential, but how to design EHEA compositions remains challenging. In the present work, a simple and effective strategy by combining mixing enthalpy and constituent binary eutectic compositions was proposed to design EHEA compositions. This strategy was then applied to a series of (CoCrFeNi)M x (M = Nb, Ta, Zr, Hf) HEAs, leading to the discovery of new EHEAs, namely, CoCrFeNiNb 0.45, CoCrFeNiTa 0.4, CoCrFeNiZr 0.55 and CoCrFeNiHf 0.4. The microstructure of these new EHEAs comprised of FCC and Laves phases in the as-cast state. In conclusion, the experimental result shows thatmore » this new alloy design strategy can be used to locate new EHEAs effectively.« less

A new strategy to design eutectic high-entropy alloys using simple mixture method

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

Jiang, Hui; Han, Kaiming; Gao, Xiaoxia

Eutectic high entropy alloys (EHEAs) hold promising industrial application potential, but how to design EHEA compositions remains challenging. In the present work, a simple and effective strategy by combining mixing enthalpy and constituent binary eutectic compositions was proposed to design EHEA compositions. This strategy was then applied to a series of (CoCrFeNi)M x (M = Nb, Ta, Zr, Hf) HEAs, leading to the discovery of new EHEAs, namely, CoCrFeNiNb 0.45, CoCrFeNiTa 0.4, CoCrFeNiZr 0.55 and CoCrFeNiHf 0.4. The microstructure of these new EHEAs comprised of FCC and Laves phases in the as-cast state. In conclusion, the experimental result shows thatmore » this new alloy design strategy can be used to locate new EHEAs effectively.« less

Self-consistent full-potential linearized-augmented-plane-wave local-density electronic-structure studies of magnetism and superconductivity in C15 compounds: ZrZn/sub 2/ and ZrV/sub 2/

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

Huang, M.; Jansen, H.J.F.; Freeman, A.J.

The electronic structure and properties of the cubic Laves phase (C15) compounds ZrZn/sub 2/ and ZrV/sub 2/ have been determined using our all-electron full-potential linearized-augmented-plane-wave (FLAPW) method for bulk solids. The computations were performed in two stages: (i) self-consistent warped muffin tin and (ii) self-consistent full potential. Spin-orbit coupling was included after either stage. The effects of the inclusion of the nonspherical terms inside the muffin tins on the eigenvalues is found to be small (of order 1 mRy). However, due to the fact that some of the bands near the Fermi level are flat, this effect leads to amore » much higher value of the density of states at E/sub F/ in ZnZr/sub 2/. The most important difference between the materials ZrZn/sub 2/ and ZrV/sub 2/ is the position of the d bands derived from the Zr and V atoms. Consequently, these materials have completely different Fermi surfaces. We have investigated the magnetic properties of these compounds by evaluating their generalized Stoner factors and found agreement with experiment. Our results for the superconducting transition temperature for these materials is found to be strongly dependent on the spin fluctuation parameter ..mu../sub sp/. Of course, because of the magnetic transition, superconductivity cannot be observed in ZnZr/sub 2/.« less

Microstructural evolution in advanced boiler materials for ultra-supercritical coal power plants

NASA Astrophysics Data System (ADS)

Wu, Quanyan

The goal of improving the efficiency of pulverized coal powerplants has been pursued for decades. The need for greater efficiency and reduced environmental impact is pushing utilities to ultra supercritical conditions (USC), i.e. steam temperatures approaching 760°C under a stress of 35 MPa. The long-term creep strength and environmental resistance requirements imposed by these conditions are clearly beyond the capacity of the currently used ferritic steels and other conventional alloys. As part of a large DOE-funded consortium, new and existing materials based on advanced austenitic stainless steels and nickel base superalloys are being evaluated for these very demanding applications. In the present work, the nickel base superalloys of Inconel 617, CCA617, Haynes 230 and Inconel 740, and austenitic alloys Super 304H and HR6W, were evaluated on their microstructural properties over elevated temperature ageing and creep rupture conditions. The materials were aged for different lengths of time at temperatures relevant to USC applications, i.e., in the range from 700 to 800°C. The precipitation behaviors, namely of the gamma', carbides and eta phase in some conditions in nickel base superalloys, carbides in Haynes 230, Cu-rich precipitates in Super 304H and Laves phase particles in HR6W, were studied in detail using scanning electron microscopy (SEM), transmission electron microscopy (TEM) and related analytical techniques. Particular attention has been given on the structure, morphology and compositional distinctiveness of various phases (including gamma, gamma', carbides, secondary phase precipitates, and other types of particles) and their nature, dislocation structures and other types of defects. The results were presented and discussed in light of associated changes in microhardness in the cases of aged samples, and in close reference to mechanical testing (including tensile and creep rupture tests) wherever available. Several mechanical strengthening mechanisms were proposed and the results were calculated using the corresponding modeling equations. They were then compared to the mechanical properties recorded separately. These findings documented the microstructural responses of candidate alloys for USC applications from sample treatments that were related to the conditions of that from USC, and thus provided inputs to both assessment and predictions of mechanical behaviors of these alloys under USC service conditions.

Corrosive sliding wear behavior of laser clad Mo 2Ni 3Si/NiSi intermetallic coating

NASA Astrophysics Data System (ADS)

Lu, X. D.; Wang, H. M.

2005-05-01

Many ternary metal silicides such as W 2Ni 3Si, Ti 2Ni 3Si and Mo 2Ni 3Si with the topologically closed-packed (TCP) hP12 MgZn 2 type Laves phase crystal structure are expected to have outstanding wear and corrosion resistance due to their inherent high hardness and sluggish temperature dependence and strong atomic bonds. In this paper, Mo 2Ni 3Si/NiSi intermetallic coating was fabricated on substrate of an austenitic stainless steel AISI321 by laser cladding using Ni-Mo-Si elemental alloy powders. Microstructure of the coating was characterized by optical microscopy (OM), scanning electron microscopy (SEM), X-ray diffraction (XRD) and energy dispersive X-ray analysis (EDS). Wear resistance of the coating is evaluated under corrosive sliding wear test condition. Influence of corrosion solutions on the wear resistance of the coating was studied and the wear mechanism was discussed based on observations of worn surface morphology. Results showed that the laser clad Mo 2Ni 3Si/NiSi composite coating have a fine microstructure of Mo 2Ni 3Si primary dendrites and the interdendritic Mo 2Ni 3Si/NiSi eutectics. The coating has excellent corrosive wear resistance compared with austenitic stainless steel AISI321 under acid, alkaline and saline corrosive environments.

Development in corrosion resistance by microstructural refinement in Zr-16 SS 304 alloy using suction casting technique

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

Das, N., E-mail: nirupamd@barc.gov.in; Sengupta, P.; Abraham, G.

Highlights: • Grain refinement was made in Zr–16 wt.% SS alloy while prepared by suction casting process. • Distribution of Laves phase, e.g., Zr{sub 2}(Fe, Cr) was raised in suction cast (SC) Zr–16 wt.% SS. • Corrosion resistance was improved in SC alloy compared to that of arc-melt-cast alloy. • Grain refinement in SC alloy assisted for an increase in its corrosion resistance. - Abstract: Zirconium (Zr)-stainless steel (SS) hybrid alloys are being considered as baseline alloys for developing metallic-waste-form (MWF) with the motivation of disposing of Zr and SS base nuclear metallic wastes. Zr–16 wt.% SS, a MWF alloymore » optimized from previous studies, exhibit significant grain refinement and changes in phase assemblages (soft phase: Zr{sub 2}(Fe, Cr)/α-Zr vs. hard phase: Zr{sub 3}(Fe, Ni)) when prepared by suction casting (SC) technique in comparison to arc-cast-melt (AMC) route. Variation in Cr-distribution among different phases are found to be low in suction cast alloy, which along with grain refinement restricted Cr-depletion at the Zr{sub 2}(Fe, Cr)/Zr interfaces, prone to localized attack. Hence, SC alloy, compared to AMC alloy, showed lower current density, higher potential at the breakdown of passivity and higher corrosion potential during polarization experiments (carried out under possible geological repository environments, viz., pH 8, 5 and 1) indicating its superior corrosion resistance.« less

Demonized Learners in Sociocultural Theory

ERIC Educational Resources Information Center

Chen, Joanna

2016-01-01

Within the frameworks of Sociocultural theory, particularly Vygotskian sociocultural theory and ZPD, Lave and Wenger's CoP, and contemporary sociocultural theory, this paper seeks to examine the unfavourable scholarly portrayal of learners and their identities based on learners' behaviours, attitudes, and beliefs about the social element of…

Situated Learning in Computer Science Education

ERIC Educational Resources Information Center

Ben-Ari, Mordechai

2004-01-01

Sociocultural theories of learning such as Wenger and Lave's situated learning have been suggested as alternatives to cognitive theories of learning like constructivism. This article examines situated learning within the context of computer science (CS) education. Situated learning accurately describes some CS communities like open-source software…

Progress in Visualizing Atomic Size Effects with DFT-Chemical Pressure Analysis: From Isolated Atoms to Trends in AB5 Intermetallics.

PubMed

Berns, Veronica M; Engelkemier, Joshua; Guo, Yiming; Kilduff, Brandon J; Fredrickson, Daniel C

2014-08-12

The notion of atomic size poses an important challenge to chemical theory: empirical evidence has long established that atoms have spatial requirements, which are summarized in tables of covalent, ionic, metallic, and van der Waals radii. Considerations based on these radii play a central role in the design and interpretation of experiments, but few methods are available to directly support arguments based on atomic size using electronic structure methods. Recently, we described an approach to elucidating atomic size effects using theoretical calculations: the DFT-Chemical Pressure analysis, which visualizes the local pressures arising in crystal structures from the interactions of atomic size and electronic effects. Using this approach, a variety of structural phenomena in intermetallic phases have already been understood in terms that provide guidance to new synthetic experiments. However, the applicability of the DFT-CP method to the broad range of the structures encountered in the solid state is limited by two issues: (1) the difficulty of interpreting the intense pressure features that appear in atomic core regions and (2) the need to divide space among pairs of interacting atoms in a meaningful way. In this article, we describe general solutions to these issues. In addressing the first issue, we explore the CP analysis of a test case in which no core pressures would be expected to arise: isolated atoms in large boxes. Our calculations reveal that intense core pressures do indeed arise in these virtually pressure-less model systems and allow us to trace the issue to the shifts in the voxel positions relative to atomic centers upon expanding and contracting the unit cell. A compensatory grid unwarping procedure is introduced to remedy this artifact. The second issue revolves around the difficulty of interpreting the pressure map in terms of interatomic interactions in a way that respects the size differences of the atoms and avoids artificial geometrical constraints. In approaching this challenge, we have developed a scheme for allocating the grid pressures to contacts inspired by the Hirshfeld charge analysis. Here, each voxel is allocated to the contact between the two atoms whose free atom electron densities show the largest values at that position. In this way, the differing sizes of atoms are naturally included in the division of space without resorting to empirical radii. The use of the improved DFT-CP method is illustrated through analyses of the applicability of radius ratio arguments to Laves phase structures and the structural preferences of AB5 intermetallics between the CaCu5 and AuBe5 structure types.

Exploring Students' Experiences in First-Year Learning Communities from a Situated Learning Perspective

ERIC Educational Resources Information Center

Priest, Kerry L.; Saucier, Donald A.; Eiselein, Gregory

2016-01-01

This study looked to situated learning (Lave & Wenger, 1991) in order to explore students' participation in the social practices of first-year learning communities. Wenger's (1998) elaboration on "communities of practice" provides insight into how such participation transforms learners. These perspectives frame learning as a…

Reframing Science Learning and Teaching: A Communities of Practice Approach

ERIC Educational Resources Information Center

Sansone, Anna

2018-01-01

Next Generation Science Standards encourage science instruction that offers not only opportunities for inquiry but also the diverse social and cognitive processes involved in scientific thinking and communication. This article gives an introduction to Lave and Wenger's (1991) communities of practice framework as a potential way of viewing…

Innovating Everything: Examining Teacher Learning of Unfamiliar Texts

ERIC Educational Resources Information Center

Goff, Maria Hernandez

2017-01-01

This dissertation explored how a teacher learned to teach with and about unfamiliar (to her) media texts in her high school English classroom. This study also examined my role as the researcher/mentor in the teacher's learning and development process. Through situated learning theories (Lave & Wenger, 1991) and discourse through identities…

Belonging in a Videogame Space: Bridging Affinity Spaces and Communities of Practice

ERIC Educational Resources Information Center

Abrams, Sandra Schamroth; Lammers, Jayne C.

2017-01-01

Background: Focusing on ways a common endeavor brings people together, Gee offered the concept of affinity spaces, which suggests that open participation without exclusion or membership is possible. This theory contrasts with Lave and Wenger's communities of practice, which called attention to situated, hierarchical participatory practices.…

Collaboration and Self-Regulation in Teachers' Professional Development

ERIC Educational Resources Information Center

Butler, Deborah L.; Lauscher, Helen Novak; Jarvis-Selinger, Sandra; Beckingham, Beverly

2004-01-01

This paper describes a professional development model with promise for supporting meaningful shifts in practice. We begin by introducing the theoretical principles underlying our professional development model, with a focus on explicating the interface between collaborative inquiry in a learning community (Lave, 1991, In L.B. Resnick, J.M. Levine,…

Learning across Contexts

ERIC Educational Resources Information Center

Guile, David

2006-01-01

This paper maintains that post Lave and Wenger VET has overlooked the relation between vocational curricula and workplace practice. The paper attributes this oversight to Kant's legacy in the "situated" tradition in VET and critics of that tradition. The paper argues that when Vygotsky's concept of mediation is allied to the recent work of Robert…

Learning Relationships in Community-Based Further Education

ERIC Educational Resources Information Center

Mayes, J. Terry; Crossan, Beth

2007-01-01

This article offers a new perspective on pedagogy and learning culture by emphasizing the key role played by "learning relationships." The first part of the paper describes the theoretical background in the work of Bordieu, and Lave & Wenger, and considers how, through the role of identity, individual relationships reflect the influence of…

Seasonal use of red-cockaded woodpecker cavities by southern flying squirrels

Treesearch

Susan C. Loeb; Deanna L. Ruth

2004-01-01

Southern flying squirrels (Glaucomys volans) can significantly impact red-cockaded woodpecker reproductive success (Laves and Loeb 1999). Thus, exclusion or removal of flying squirrels from red-cockaded woodpecker cavities and clusters may be warranted in small woodpecker populations (U.S. Fish and Wildlife Service 2003). However, development of...

Not a One-Shot Deal: Generative Professional Development among Experienced Teachers

ERIC Educational Resources Information Center

Flint, Amy Seely; Zisook, Karla; Fisher, Teresa R.

2011-01-01

This study examines two experienced teachers' transformations and sense of agency as they implemented a writer's workshop curriculum with multi-lingual third grade students. Multiple lines of inquiry guide the study including "communities of practice" (Lave & Wenger, 1991), "teacher identities in figured worlds" (Holland, Lachicotte, Skinner, &…

Three Styles Characterising Mathematicians' Pedagogical Perspectives on Proof

ERIC Educational Resources Information Center

Hemmi, Kirsti

2010-01-01

The article describes mathematicians' pedagogical perspectives on proof in the teaching of first year university students at a mathematics department in Sweden. A conceptual frame that was used in the data analysis combines theories about proof from earlier mathematics education research with a social practice approach of Lave and Wenger. A…

The Development of a Professional Statistics Teaching Identity

ERIC Educational Resources Information Center

Whitaker, Douglas

2016-01-01

Motivated by the increased statistics expectations for students and their teachers because of the widespread adoption of the Common Core State Standards for Mathematics, this study explores exemplary, in-service statistics teachers' professional identities using a theoretical framework informed by Gee (2000) and communities of practice (Lave &…

Microstructural changes in steel 10Kh9V2MFBR during creep for 40000 hours at 600°C

NASA Astrophysics Data System (ADS)

Fedoseeva, A. E.; Kozlov, P. A.; Dudko, V. A.; Skorobogatykh, V. N.; Shchenkova, I. A.; Kaibyshev, R. O.

2015-10-01

In this work, we have investigated microstructural changes in steel 10Kh9V2MFBR (analog of P02 steel) after long-term creep tests at a temperature of 600°C under an initial stress of 137 MPa. Time to rupture was found to be more than 40000 h. It has been established that, in the zone of grips and in the neck region of the sample, the size of the particles of the M 23C6 carbides increases from 85 nm to 152 nm and 182 nm, respectively. In addition, large particles of the Laves phase with an average size of 295 nm are separated. The particles of these phases are located along high-angle boundaries. During prolonged aging and creep, the transformation of the M(C,N) particles enriched in V into the Z phase occurs. The average size of particles of the Z phase after prolonged ageing was 48 nm; after creep, it reached 97 nm. The size of M(C,N) particles enriched by Nb increases from 26 nm after tempering to 55 nm after prolonged aging and creep. It has been established that, in spite of an increase in the transverse size of the laths of tempered martensite from 0.4 to 0.9 µm in the neck of the sample, the misorientation of the lath boundaries does not increase. No recrystallization processes were found to develop in the steel during creep.

Influence of Alloy Content and Prior Microstructure on Evolution of Secondary Phases in Weldments of 9Cr-Reduced Activation Ferritic-Martensitic Steel

NASA Astrophysics Data System (ADS)

Thomas Paul, V.; Sudha, C.; Saroja, S.

2015-08-01

9Cr-Reduced Activation Ferritic-Martensitic steels with 1 and 1.4 wt pct tungsten are materials of choice for the test blanket module in fusion reactors. The steels possess a tempered martensite microstructure with a decoration of inter- and intra-lath carbides, which undergoes extensive modification on application of heat. The change in substructure and precipitation behavior on welding and subsequent thermal exposure has been studied using both experimental and computational techniques. Changes i.e., formation of various phases, their volume fraction, size, and morphology in different regions of the weldment due to prolonged thermal exposure was influenced not only by the time and temperature of exposure but also the prior microstructure. Laves phase of type Fe2W was formed in the high tungsten steel, on aging the weldment at 823 K (550 °C). It formed in the fine-grained heat-affected zone (HAZ) at much shorter durations than in the base metal. The accelerated kinetics has been understood in terms of enhanced precipitation of carbides at lath/grain boundaries during aging and the concomitant depletion of carbon and chromium and enrichment of tungsten in the vicinity of the carbides. Therefore, the fine-grained HAZ in the weldment was identified as a region susceptible for failure during service.

Ten year performance of asphalt additive test sections : Lave Butte - Fremont Highway Junction Section, The Dalles - California Highway (US#97), Deschutes County, Oregon.

DOT National Transportation Integrated Search

1998-09-01

The durability of hot mix asphalt concrete (HMAC) overlays is important to the Oregon Department of Transportation (ODOT), as this is the most common form of surface rehabilitation on state roads. To see if several HMAC additives available in Oregon ...

Multi-Membership in Communities of Practice: An EFL Teacher's Professional Development

ERIC Educational Resources Information Center

Nishino, Takako

2012-01-01

This study investigates the professional development of one EFL teacher, Gen, through narrative analysis and the notion of community of practice (CoP) (Lave & Wenger, 1991; Wenger, 1998). This study addresses two questions: (1) How did a Japanese high school teacher generate context-appropriate pedagogy?; and (2) How did multi-membership in…

Deconstructing an Online Community of Practice: Teachers' Actions in the Edmodo Math Subject Community

ERIC Educational Resources Information Center

Trust, Torrey

2015-01-01

New technologies seem to have expanded traditional face-to-face communities of practice across spatial and temporal boundaries into "online communities of practice." However, these virtual landscapes are significantly different from the context of face-to-face communities of practice that Lave and Wenger (1991) observed. This study…

Learning To Control Democratically: Ethical Questions in Situated Adult Education.

ERIC Educational Resources Information Center

Heaney, Tom

Lave and Wenger (1991) reject individualistic and psychologistic theories of learning in favor of a more broadly social and contextual approach. They observe that all learning is situated not only in space and time, but also inextricably in relation to social practice. Learning is "legitimate peripheral participation in a community of…

Digital Storytelling: Capturing Children's Participation in Preschool Activities

ERIC Educational Resources Information Center

Kervin, Lisa; Mantei, Jessica

2016-01-01

Children should be active participants in the environments in which they engage. However in the prior to school setting, it is not necessarily clear to educators how children understand their role and place within that community. Lave and Wenger's (2005) situated learning theory provides a useful frame to consider this developing sense of…

Negotiating Participation and Identity in Second Language Academic Communities

ERIC Educational Resources Information Center

Morita, Naoko

2004-01-01

This article reports on a qualitative multiple case study that explored the academic discourse socialization experiences of L2 learners in a Canadian university. Grounded in the notion of "community of practice" (Lave & Wenger, 1991, p. 89), the study examined how L2 learners negotiated their participation and membership in their new…

Academic English Socialization through Individual Networks of Practice

ERIC Educational Resources Information Center

Zappa-Hollman, Sandra; Duff, Patricia A.

2015-01-01

This article introduces the notion of individual network of practice (INoP) as a viable construct for analyzing academic (discourse) socialization in second language (L2) contexts. The authors provide an overview of social practice theories that have informed the development of INoP--community of practice (CoP; Lave & Wenger, 1991; Wenger,…

Navigating Contradictory Communities of Practice in Learning to Teach for Social Justice

ERIC Educational Resources Information Center

Flores, Maria Timmons

2007-01-01

In this article, I explore the contradictions that four new teachers experienced as their commitments to social justice collide with urban school culture. Framed within Jean Lave and Etienne Wenger's (1999) theory of situated learning and development concepts of identity, practice, and relationships illustrate how teachers' ideals are challenged…

How Do Adults Learn to Read? A Communities of Practice Approach

ERIC Educational Resources Information Center

Negassa, Tolera; Rogers, Alan; Warkineh, Turuwark Zalalam

2016-01-01

This article explores whether looking at adult literacy teaching through the lens of Lave and Wenger's "community of practice" approach to learning provides useful additional insights into adults learning to read, especially the role of the adult literacy facilitator. Using some case studies of facilitators from the Ethiopian Integrated…

Monitoring interactions between red-cockaded woodpeckers and southern flying squirrels

Treesearch

Thomas S. Risch; Susan C. Loeb

2004-01-01

Although several studies have suggested that southern flying squirrels (Glaucomys volans) may have a signif- icant negative impact on red-cockaded woodpeckers (Picoides borealis) (Loeb and Hooper 1997, Laves and Loeb 1999), the nature of the interactions between the species remains unclear. Particularly lacking are data that address if southern flying squirrels...

Lifting as We Climb: Developing Constellations of Learning within an Informal Online Radio Format

ERIC Educational Resources Information Center

Mistry, Margaret Egan

2012-01-01

This mixed-methods study combines the sociocultural theories of Vygotsky's research on thought and language, Mezirow's Transformational Learning Theory, situated learning theory of Rogoff, Lave, and Wenger, to explore individual and group process and resulting products within an online university radio station system. The study…

Elementary Teachers' Participation in Edmodo as a Community of Practice: A Phenomenology

ERIC Educational Resources Information Center

Reasoner, Cynthia Rush

2017-01-01

The purpose of this phenomenological study was to describe the shared, lived experience of elementary teachers' participation in Edmodo as a community of practice. The theoretical framework guiding this research included Lave and Wenger's (1991) community of practice theory and Bandura's social learning theory (1977, 1984) which explained how…

Becoming Academics: Experiencing Legitimate Peripheral Participation in Part-Time Doctoral Studies

ERIC Educational Resources Information Center

Teeuwsen, Phil; Ratkovic, Snežana; Tilley, Susan A.

2014-01-01

An important element of doctoral studies is identification with the academic community. Such identification is often complicated by part-time student status. In this paper, two part-time doctoral students and their supervisor employ Lave and Wenger's concept of legitimate peripheral participation to explore, through a critical socio-cultural lens,…

Effects of the TiC Nanoparticle on Microstructures and Tensile Properties of Selective Laser Melted IN718/TiC Nanocomposites

NASA Astrophysics Data System (ADS)

Yao, Xiling; Moon, Seung Ki; Lee, Bing Yang; Bi, Guijun

2018-03-01

The purpose of this paper is to investigate the effects of TiC nanoparticle content on microstructures and tensile properties of the IN718/TiC nanocomposites fabricated by selective laser melting (SLM). 0.5wt%, 1.0wt%, and 2.0wt% of TiC nanoparticles are added to the IN718 powders. The bulk-form IN718/TiC nanocomposites with different TiC contents are fabricated in-situ by SLM using the same process settings. The evolution of microstructures and tensile properties as the effect of changing the TiC content is studied using the optical microscopy, scanning electron microscopy, X-ray diffraction analysis, and tensile testing. The increase of TiC content refines the microstructure, promotes the formation of the cellular morphology, and reduces the size and continuity of Laves precipitates. Increasing the TiC content improves the yield strength and ultimate tensile strength but decreases the ductility. The grain refinement, dislocation bowing, dislocation punching, and the reduction in Laves precipitate contribute to the strengthening effect in the IN718/TiC nanocomposites.

Effect of PWHT on Microstructure, Mechanical and Corrosion Behaviour of Gas Tungsten Arc Welds of IN718 Superalloys

NASA Astrophysics Data System (ADS)

Dilkush; Mohammed, Raffi; Madhusudhan Reddy, G.; Srinivasa Rao, K.

2018-03-01

The present work aims to improve corrosion resistance and mechanical behavior of the welds with suitable post weld heat treatment i.e. direct aging and solutionizing treatments (980STA, 1080STA). Gas tungsten arc welding (GTAW) has been performed on Inconel 718 (IN718) nickel based super alloy plates with 3mm thickness. The structural –property relationship of the post weld heat treated samples is judged by correlating the microstructural changes with observed mechanical behavior and pitting corrosion resistance of the welds As-recevied, direct aging (DA), 980STA,1080STA were studied. Welds were characterized for microstructure changes with scanning electron microscopy (SEM) and optical microscopy (OM).Vickers micro- hardness tester was used to measure the hardness of the weldments. Potential-dynamic polarization testing was carried out to study the pitting corrosion resistance in 3.5%NaCl (Sodium chloride) solution at 30°C.Results of the present study established that post weld heat treatments resulted in promoting the element segregation diffusion and resolve them from brittle laves particles in the matrix. Increased precipitation of strengthening phases lead to a significant increase in fusion zone hardness of 1080STA post weld heat treated condition compared to as welded, direct aged, 980STA conditions. Due to significant changes in the microstructural behavior of 1080STA condition resulted in superior pitting corrosion resistance than 980STA, direct aged and as- recevied conditions of IN718 GTA welds

Precipitation behavior in austenitic and ferritic steels during fast neutron irradiation and thermal aging*1

NASA Astrophysics Data System (ADS)

Kawanishi, H.; Hajima, R.; Sekimura, N.; Arai, Y.; Ishino, S.

1988-07-01

Precipitation behavior has been studied using a carbon extraction replica technique in Ti-modified Type 316 stainless steels (JPCA-2) and 9Cr-2Mo ferritic/martensitic steels (JFMS) irradiated to 8.1 × 10 24 n/m 2 at 873 and 673 K, respectively, in the experimental fast breeder reactor JOYO. Precipitate identification and compositional analysis were carried out on extracted replicas. The results were compared to those from the as-received steel and a control which had been given the same thermal as-treatment as the specimens received during irradiations. Carbides, Ti-sulphides and phosphides were precipitated in JPCA-2. Precipitate observed in JFMS included carbides, Laves-phases and phosphides. The precipitates in both steels were concluded to be stable under irradiation except for MC and M 6C in JPCA-2. Small MC particles were found precipitated in JPCA-2 during both irradiation and aging. Irradiation proved to promote the precipitation of M 6C in JPCA-2.

Comparison of joining processes for Haynes 230 nickel based super alloy

NASA Astrophysics Data System (ADS)

Williston, David Hugh

Haynes 230 is a nickel based, solid-solution strengthened alloy that is used for high-temperature applications in the aero-engine and power generation industries. The alloy composition is balanced to avoid precipitation of undesirable topologically closed-packed (TCP) intermetallic phases, such as Sigma, Mu, or Laves-type, that are detrimental to mechanical and corrosion properties. This material is currently being used for the NASA's J2X upper stage rocket nozzle extension. Current fabrication procedures use fusion welding processes to join blanks that are subsequently formed. Cracks have been noted to occur in the fusion welded region during the forming operations. Use of solid state joining processes, such as friction stir welding are being proposed to eliminate the fusion weld cracks. Of interest is a modified friction stir welding process called thermal stir welding. Three welding process: Gas Metal Arc Welding (GMAW), Electron Beam Welding (EBW), and Thermal Stir Welding (TSWing) are compared in this study.

The Effect of Ultrafine-Grained Microstructure on Creep Behaviour of 9% Cr Steel

PubMed Central

Kral, Petr; Dvorak, Jiri; Sklenicka, Vaclav; Masuda, Takahiro; Horita, Zenji; Kucharova, Kveta; Kvapilova, Marie; Svobodova, Marie

2018-01-01

The effect of ultrafine-grained size on creep behaviour was investigated in P92 steel. Ultrafine-grained steel was prepared by one revolution of high-pressure torsion at room temperature. Creep tensile tests were performed at 873 K under the initially-applied stress range between 50 and 160 MPa. The microstructure was investigated using transmission electron microscopy and scanning electron microscopy equipped with an electron-back scatter detector. It was found that ultrafine-grained steel exhibits significantly faster minimum creep rates, and there was a decrease in the value of the stress exponent in comparison with coarse-grained P92 steel. Creep results also showed an abrupt decrease in the creep rate over time during the primary stage. The abrupt deceleration of the creep rate during the primary stage was shifted, with decreasing applied stress with longer creep times. The change in the decline of the creep rate during the primary stage was probably related to the enhanced precipitation of the Laves phase in the ultrafine-grained microstructure. PMID:29757206

The performances of proto-type Ni/MH secondary batteries using Zr-based hydrogen storage alloys and filamentary type Ni

NASA Astrophysics Data System (ADS)

Lee, Sang-Min; Lee, Ho; Kim, Jin-Ho; Lee, Paul S.; Lee, Jai-Young

2001-04-01

For the purpose of developing a Zr-based Laves phase alloy with higher capacity and better performance for electrochemical application, extensive work has been carried out. After careful alloy design of ZrMn2-based hydrogen storage alloys through varying their stoichiometry by means of substituting or adding alloying elements, the Zr0.9Ti0.1(Mn0.7V0.5Ni1.4)0.92 with high capacity (392 mAh/g at the 0.25C) and improved performance (comparable to that of commercialized AB5 type alloy) was developed. Another endeavor was made to improve the poor activation property and the low rate capability of the developed Zr-based Laves phase alloy for commercialization. The combination method of hot-immersion and slow-charging was introduced. It was found that electrode activation was greatly improved after hot immersion at 80°C for 12h followed by charging at 0.05C. The effects of this method are discussed in comparison with other activation methods. The combination method was successfully applied to the formation process of 80 Ah Ni/MH cells. A series of systematic investigations has been rendered to analyze the inner cell pressure characteristics of a sealed type Ni-MH battery. It was found that the increase of inner cell pressure in the sealed type Ni/MH battery of the above-mentioned Zr-Ti-Mn-V-Ni alloy was mainly due to the accumulation of oxygen gas during charge/discharge cycling. The fact identified that the surface catalytic activity was affected more dominantly by the oxygen recombination reaction than the reaction surface area was also identified. In order to improve the surface catalytic activity of a Zr-Ti-Mn-V-Ni alloy, which is closely related to the inner pressure behavior in a sealed cell, the electrode was fabricated by mixing the alloy with Cu powder and a filamentary type of Ni and replacing 75% of the carbon black with them; thus, the inner cell pressure rarely increases with cycles due to the active gas recombination reaction. Measurements of the surface area of the electrode and the surface catalytic activity showed that the surface catalytic activity for the oxygen recombination reaction was greatly improved by the addition of Cu powder and the filamentary type of Ni. Finally, we have collaborated with Hyundai Motors Company on fabrication of the 80Ah cells for Electric Vehicles and evaluated the cell performance.

A Proposed Theory Seeded Methodology for Design Based Research into Effective Use of MUVES in Vocational Education Contexts

ERIC Educational Resources Information Center

Cochrane, Todd; Davis, Niki; Morrow, Donna

2013-01-01

A methodology for design based research (DBR) into effective development and use of Multi-User Virtual Environments (MUVE) in vocational education is proposed. It blends software development with DBR with two theories selected to inform the methodology. Legitimate peripheral participation LPP (Lave & Wenger, 1991) provides a filter when…

The Education of Hindu Priests in the Diaspora: Assessing the Value of Community of Practice Theory

ERIC Educational Resources Information Center

Verma, Michele

2010-01-01

The utility and limitations of Lave and Wenger's social theory of learning can be evaluated through specific case studies which enhance our understanding of how education proceeds in diverse contexts. Here I provide an ethnographic case study of the training of Caribbean-born Hindu "pandits" ("priests") living and working in…

An Outdoor and Environmental Education Community of Practice: Self Stylisation or Normalisation?

ERIC Educational Resources Information Center

Preston, Lou

2012-01-01

In this article, I draw on a qualitative longitudinal study to explore the influence of a tertiary Outdoor and Environmental Education (OEE) course on the formation of environmental ethics among students. In this task, I bring together Lave & Wenger (1991) and Wenger's (1998) concept of "communities of practice" and Michel Foucault's later work on…

The Living and the Dead in Education: Commentary on Julian Williams

ERIC Educational Resources Information Center

Jones, Peter E.

2011-01-01

Jean Lave and Ray McDermott (2002) did a service with their powerful reading of Marx's 1844 essay on "Estranged Labour" (Marx, 1964). In reworking Marx's critique of "alienated labour" in terms of "alienated learning," they reminded everyone of Marx's own impassioned revolt against the inhumanity of the capitalist order and found a novel way of…

Youth Political Engagement in Australia and the United States: Student Councils and Volunteer Organizations as Communities of Practice

ERIC Educational Resources Information Center

Homana, Gary A.

2018-01-01

Purpose: Lave and Wenger's Communities of Practice is presented as a conceptual framework for examining extracurricular activities as a part of democratic schools' contribution to students' civic engagement. Data from the IEA Civic Education Study is analyzed to investigate research questions on the association between participation in two civic…

Leading and Learning as a Transcultural Experience: A Visual Account

ERIC Educational Resources Information Center

Schratz, Michael

2009-01-01

Leaving one's own territory in research by taking part in an international project is like learning a new language: it's not just learning a new vocabulary and grammar, but is a total human experience which is best learnt in everyday activity. Social scientists like Jean Lave argued that "knowledge-in-practice, constituted in the settings of…

Learning as Peripheral Participation in Communities of Practice: A Reassessment of Key Concepts in Workplace Learning

ERIC Educational Resources Information Center

Fuller, Alison; Hodkinson, Heather; Hodkinson, Phil; Unwin, Lorna

2005-01-01

This article explores the strengths and weaknesses of Lave and Wenger's concept of "legitimate peripheral participation" as a means of understanding workplace learning. It draws on recent ESRC-funded research by the authors in contemporary workplace settings in the UK (manufacturing industry and secondary schools) to establish the extent…

Utopia in Arts Education: Transmission of Cantonese Opera under the Oral Tradition in Hong Kong

ERIC Educational Resources Information Center

Leung, Bo-Wah

2015-01-01

Schooling has been the main approach for transmitting knowledge and skills in both Eastern and Western cultures. The conservatory, for instance, has been the main cradle of great musicians. However, traditional folk arts in the East relied on apprenticeship using an oral approach for transmission. Applying Lave and Wenger's theory of legitimate…

From Marginality to Legitimate Peripherality: Understanding the Essential Functions of a Women's Program

ERIC Educational Resources Information Center

Kahveci, Ajda; Southerland, Sherry A.; Gilmer, Penny J.

2008-01-01

The focus of this research was to understand how a program for women in science, mathematics, and engineering (SM&E) at college level in the southeastern United States functioned to influence women's decision making in terms of participation in these fields. By employing Lave and Wenger's theory of situated learning, we explored this program…

Learning (and Researching) as Participation in Communities of Practice

ERIC Educational Resources Information Center

dos Santos, Madalena Pinto

2004-01-01

In my contribution to this panel I will bring elements from recent research I conducted (Santos, 2004) in Cape Verde aiming to clarify the meaning of learning as participation in social practices--"learning as participation in the social world" (Lave and Wenger, 1991, p. 42). But as my main interest is learning in compulsory education…

Between Ethnic and English Names: Name Choice for Transnational Chinese Students in a US Academic Community

ERIC Educational Resources Information Center

Diao, Wenhao

2014-01-01

This article explores how transnational Chinese students negotiate identity options through name choice while studying in the US. Name choice can discursively index membership in various communities. Drawing on theories of heteroglossia (Bakhtin, 1981) and community of practices (Lave and Wenger, 1991), this study examines how name choice becomes…

"Now It's Not School, It's for Real!": Negotiated Participation in Media Vocational Training

ERIC Educational Resources Information Center

Persson Thunqvist, Daniel; Axelsson, Bodil

2012-01-01

By taking up the strand in Lave and Wenger's writing on situated learning that directs attention to social dynamics and issues of power and positioning, the present article argues for the fruitfulness of including the concept of negotiated participation in approaches to teaching and learning. Based on a fieldwork in vocational media production…

Identity Development of Preservice Elementary Teachers of Mathematics from Teacher Education Program to Student Teaching

ERIC Educational Resources Information Center

Kang, Hyun Jung

2012-01-01

Drawing on Lave and Wenger (1991) this study explores how preservice elementary teachers develop themselves as teachers of mathematics, in particular, from the time of their teacher education courses to their field experiences. This study also researches the critical experiences that contributed to the construction of their identities and their…

Sharing Knowledge in Universities: Communities of Practice the Answer?

ERIC Educational Resources Information Center

Buckley, Sheryl; du Toit, Adeline

2009-01-01

The change from an industrial economy to a knowledge economy forced many organizations to change their modus operandi if they were going to survive in a sustainable way. The introduction of communities of practice (CoPs) by Jean Lave and Etienne Wenger shed new light on knowledge sharing and dissemination of information. Sharing, interacting,…

"Convenience Editors" as Legitimate Participants in the Practice of Scientific Editing: An Interview Study

ERIC Educational Resources Information Center

Willey, Ian; Tanimoto, Kimie

2013-01-01

Native-English-speaking English teachers at universities in EFL contexts are often asked to edit scientific manuscripts written by English as an additional language (EAL) colleagues. However, a lack of familiarity with scientific writing can make such editing tasks burdensome to English teachers. Using Lave and Wenger's (1991) notion of legitimate…

Ceramic superconductor/metal composite materials employing the superconducting proximity effect

DOEpatents

Holcomb, Matthew J.

2002-01-01

Superconducting composite materials having particles of superconducting material disposed in a metal matrix material with a high electron-boson coupling coefficient (.lambda.). The superconducting particles can comprise any type of superconductor including Laves phase materials, Chevrel phase materials, A15 compounds, and perovskite cuprate ceramics. The particles preferably have dimensions of about 10-500 nanometers. The particles preferably have dimensions larger than the superconducting coherence length of the superconducting material. The metal matrix material has a .lambda. greater than 0.2, preferably the .lambda. is much higher than 0.2. The metal matrix material is a good proximity superconductor due to its high .lambda.. When cooled, the superconductor particles cause the metal matrix material to become superconducting due to the proximity effect. In cases where the particles and the metal matrix material are chemically incompatible (i.e., reactive in a way that destroys superconductivity), the particles are provided with a thin protective metal coating. The coating is chemically compatible with the particles and metal matrix material. High Temperature Superconducting (HTS) cuprate ceramic particles are reactive and therefore require a coating of a noble metal resistant to oxidation (e.g., silver, gold). The proximity effect extends through the metal coating. With certain superconductors, non-noble metals can be used for the coating.

Spin reorientation and magnetoelastic properties of ferromagnetic T b1 -xN dxC o2 systems with a morphotropic phase boundary

NASA Astrophysics Data System (ADS)

Murtaza, Adil; Yang, Sen; Chang, Tieyan; Ghani, Awais; Khan, Muhammad Tahir; Zhang, Rui; Zhou, Chao; Song, Xiaoping; Suchomel, Matthew; Ren, Yang

2018-03-01

The spin reorientation (SR) and magnetoelastic properties of pseudobinary ferromagnetic T b1 -xN dxC o2 (0 ≤x ≤1.0 ) systems involving a morphotropic phase boundary (MPB) were studied by high-resolution synchrotron x-ray diffraction (XRD), magnetization, and magnetostriction measurements. The easy magnetization direction of the Laves phase lies along the 〈111 〉 axis with x <0.65 , whereas it lies along the 〈100 〉 axis for x >0.65 below Curie temperature (TC). The temperature-dependent magnetization curves showed SR; this can be explained by a two-sublattice model. Based on the synchrotron (XRD) and magnetization measurements, the SR phase diagram for a MPB composition of T b0.35N d0.65C o2 was obtained. Contrary to previously reported ferromagnetic systems involving MPB, the MPB composition of T b0.35N d0.65C o2 exhibits a low saturation magnetization (MS), indicating a compensation of the Tb and Nd magnetic moments at MPB. The anisotropic magnetostriction (λS) first decreased until x =0.8 and then continuously increased in the negative direction with further increase of Nd concentration. The decrease in magnetostriction can be attributed to the decrease of spontaneous magnetostriction λ111 and increase of λ100 with opposite sign to λ111. This paper indicates an anomalous type of MPB in the ferromagnetic T b1 -xN dxC o2 system and provides an active way to design novel functional materials with exotic properties.

Microstructures and hydrogen absorption/desorption properties of La-Ni alloys in the composition range of La-77.8--83.2 at.% Ni

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

Yamamoto, T.; Inui, H.; Yamaguchi, M.

1997-12-01

Alloys based on the intermetallic phase, LaNi{sub 5} have been used as negative electrode materials of rechargeable nickel-metal hydride (Ni-MH) batteries because of their fast activation, high storage-capacity, long cycle-life and excellent electrochemical charge/discharge kinetics. Here, microstructure and hydrogen absorption/desorption properties of La-Ni alloys have been investigated as a function of alloy composition in the range of La-77.8 {approximately} 83.2 at.% Ni, which corresponds to compositions between two intermetallic phases, La{sub 2}Ni{sub 7} and LaNi{sub 5}. The intermetallic phase, La{sub 5}Ni{sub 19} of the Ce{sub 5}Co{sub 19}-type is found for the first time to exist as an equilibrium phase atmore » a composition between La{sub 2}Ni{sub 7} and LaNi{sub 5}. This phase is stable at high temperatures around 1,000 C but decomposes into La{sub 2}Ni{sub 7} and LaNi{sub 5} below 900 C. Hydrogen absorption/desorption properties described in terms of pressure-composition isotherms decline with decreasing Ni content (i.e. with increasing volume fraction of intermetallic phases other than LaNi{sub 5}). In particular, the plateau at the equilibrium pressure corresponding to the hydrogen absorption in the LaNi{sub 5} phase is narrowed with decreasing Ni content and additional plateaus with higher equilibrium pressures come into existence. The degradation becomes more pronounced in the presence of La{sub 2}Ni{sub 7} than La{sub 5}Ni{sub 19}. This can be understood in terms of the ratio of the number of LaNi{sub 2} (Laves) unit layers to that of LaNi{sub 5} unit layers in the unit cell of the two intermetallic phases.« less

Knowledge Centric Warfare: An Introduction

DTIC Science & Technology

2009-03-25

Development Piaget Cognition develops in four stages: sensorimotor, preoperational, concrete, and formal Private Multiple Intelligences Theory Gardner...processed, and stored.13 Often overlooked (or assumed) is the cognitive development of the people using these systems and sensors as well as the... Cognition is a subset or branch of constructivism developed by Lave. It asserts that while knowledge is acquired through the context of activity, knowledge

An Exploration of Communities of Practice: From Lave and Wenger's Seminal Work to a U.S. Government Agency's Knowledge Sharing Program

ERIC Educational Resources Information Center

Chindgren, Tina M.

2005-01-01

The communities of practice model for knowledge sharing is examined in this conceptual paper. Key themes reflected in the literature--the linkage between knowledge and activity and the importance of relationships--are explored within the context of programs and practices within the National Aeronautics and Aerospace Agency (NASA) learning…

Toward a Political Economic Theory of Education: Use and Exchange Values of Enhanced Labor Power

ERIC Educational Resources Information Center

Williams, Julian

2011-01-01

I explore theoretical conceptions of the use and exchange values of mathematics education within cultural-historical activity theory perspectives. The case of education in England is compared with that of health care (due to Engestrom). Then I draw on Lave and McDermott's study of estranged learning from the early Marx, and from Marx's later…

Managing Social and Human Capital in Organizations: Communities of Practices as Strategic Tools for Individual and Organizational Development

ERIC Educational Resources Information Center

Manuti, Amelia; Impedovo, Maria Antonietta; De Palma, Pasquale Davide

2017-01-01

Purpose: The purpose of this paper is to discuss the role of communities of practice in organizations and their most beneficial effects for both individual and collective development. Design/Methodology/Approach: Based on a literature review, from the first authoritative texts by Lave and Wenger until the most recent critiques, the paper has…

"My Whole Life Is on My Phone": How Do You Situate Learning for a Digital World?

ERIC Educational Resources Information Center

Resler, Trina

2012-01-01

The purpose of this teacher research study was to discover what happens in the classroom when high school social studies students enrolled in world history classes are asked to use text messaging as part of the planned curriculum. Lave and Wenger's (1991) Situated Learning Theory was used in order to provide a framework for understanding how…

40 CFR 201.26 - Procedures for the measurement on receiving property of retarder and car coupling noise.

Code of Federal Regulations, 2012 CFR

2012-07-01

... ave max=Lave max +C in dB. Values in Table 2 were calculated from [C=10 log n/T] with intervals... max for Retarders and Car Coupling Impacts 1 [n/T=number of measurements/measurement duration (min) C... divided by the duration of the measurement period (n/T), to obtain the adjusted average maximum A-weighted...

40 CFR 201.26 - Procedures for the measurement on receiving property of retarder and car coupling noise.

Code of Federal Regulations, 2013 CFR

2013-07-01

... ave max=Lave max +C in dB. Values in Table 2 were calculated from [C=10 log n/T] with intervals... max for Retarders and Car Coupling Impacts 1 [n/T=number of measurements/measurement duration (min) C... divided by the duration of the measurement period (n/T), to obtain the adjusted average maximum A-weighted...

Talking Time, Seeing Time: The Importance of Attending to Time in Financial Mathematics

ERIC Educational Resources Information Center

Pournara, Craig

2015-01-01

Through analysing a critical incident where a small group of pre-service secondary mathematics teachers work together on an annuities problem, we gain insight into the ways in which students make use of timelines and attend to time in their talk. Drawing on Lave and Wenger's notion of transparency, I argue that it was only when time became visible…

The Role of Reflection in the Pedagogical Thinking and Practice of the MPA Programme at Copenhagen Business School

ERIC Educational Resources Information Center

Ry Nielsen, J. C.

2013-01-01

Reflection plays a significant role in the pedagogical thinking and practice at the Copenhagen Business School Master of Public Administration Programme. It is thus embedded in one of the pedagogical models we have developed based on ideas from Argyris, Schön, Vygotsky, Senge, Lave and Wenger, and Schein. The model has four interrelated…

Cellular Effects of Endotoxin in Vitro: Mobility of Endotoxin in the Plasma Membrane of Hepatocytes and Neuroblastoma Cells

DTIC Science & Technology

1985-01-01

initiates ain.otoxin eqxpocar In the pteet work. we have celular perturbations. remains to be determined. I In vivo stdahawe shown that the liver is an...1977) Scismos 195. 307-309 tomn at the Celular LAve (Majde. JA.. ad.). Mp 81-95. 30 SdchminW. J., SebchaW. Y- Casacasas. P. Wminsa Alan I. Liss. New

Analyzing the Participatory Repertoire of a U.S. Educated EFL Teacher in Saudi Arabia

ERIC Educational Resources Information Center

Lee-Johnson, Yin Lam

2016-01-01

The KSA has become a popular country for Americans to work as an EFL teacher in the recent years because of the payment and cultural experience (Hastings, 2012). Due to the wide social distance between the KSA and USA, the teachers had to adapt to the expectation and become legitimate participants (Lave and Wenger, 1991) in the local communities.…

On the Danger of Exogenous Theory in CA-for-SLA: A Response to Hellermann and Cole (2009)

ERIC Educational Resources Information Center

Hauser, Eric

2011-01-01

Within the growing body of work that is sometimes labeled CA-for-SLA, there is a need for more research with longitudinal data. Hellermann and Cole (2009) provide a valuable contribution in this area. However, in doing so, they also make use of an exogenous theory of learning, situated learning theory (Lave and Wenger 1991), and its associated…

"Sitting Alone in the Staffroom Contemplating My Future": Communities of Practice, Legitimate Peripheral Participation and Student Teachers' Experiences of Problematic School Placements as Guests

ERIC Educational Resources Information Center

Johnston, David H.

2016-01-01

A recent Review of Teacher Education in Scotland reports that 23% of respondents (n = 2381) encountered variable or very poor school placement experiences. This paper uses Lave and Wenger's ideas concerning Communities of Practice (1998) and Legitimate Peripheral Participation (1991) as analytical tools with which to understand the nature and…

Noise exposure and hearing loss prevention programmes after 20 years of regulations in the United States

PubMed Central

Daniell, W E; Swan, S S; McDaniel, M M; Camp, J E; Cohen, M A; Stebbins, J G

2006-01-01

Objectives To evaluate noise exposures and hearing loss prevention efforts in industries with relatively high rates of workers' compensation claims for hearing loss. Methods Washington State workers' compensation records were used to identify up to 10 companies in each of eight industries. Each company (n = 76) was evaluated by a management interview, employee personal noise dosimetry (n = 983), and employee interviews (n = 1557). Results Full‐shift average exposures were ⩾85 dBA for 50% of monitored employees, using Occupational Safety and Health Administration (OSHA) parameters with a 5 dB exchange rate (Lave), but 74% were ⩾85 dBA using a 3 dB exchange rate (Leq). Only 14% had Lave ⩾90 dBA, but 42% had Leq ⩾90 dBA. Most companies conducted noise measurements, but most kept no records, and consideration of noise controls was low in all industries. Hearing loss prevention programmes were commonly incomplete. Management interview scores (higher score = more complete programme) showed significant associations with percentage of employees having Lave ⩾85 dBA and presence of a union (multiple linear regression; R2 = 0.24). Overall, 62% of interviewed employees reported always using hearing protection when exposed. Protector use showed significant associations with percentage of employees specifically required to use protection, management score, and average employee time spent ⩾95 dBA (R2 = 0.65). Conclusions The findings raise serious concerns about the adequacy of prevention, regulation, and enforcement strategies in the United States. The percentage of workers with excessive exposure was 1.5–3 times higher using a 3 dB exchange rate instead of the OSHA specified 5 dB exchange rate. Most companies gave limited or no attention to noise controls and relied primarily on hearing protection to prevent hearing loss; yet 38% of employees did not use protectors routinely. Protector use was highest when hearing loss prevention programmes were most complete, indicating that under‐use of protection was, in some substantial part, attributable to incomplete or inadequate company efforts. PMID:16551755

The defects and microstructure in the fusion zone of multipass laser welded joints with Inconel 52M filler wire for nuclear power plants

NASA Astrophysics Data System (ADS)

Li, Gang; Lu, Xiaofeng; Zhu, Xiaolei; Huang, Jian; Liu, Luwei; Wu, Yixiong

2017-09-01

The defects and microstructure in the fusion zone of multipass laser welded joints with Inconel 52M filler wire are investigated for nuclear power plants. Experimental results indicate that the incomplete fusion forms as the deposited metals do not completely cover the groove during multipass laser welding. The dendritic morphologies are observed on the inner surface of the porosity in the fusion zone. Many small cellular are found in the zones near the fusion boundary. With solidification preceding, cellular gradually turn into columnar dendrites and symmetrical columnar dendrites are exhibited in the weld center of the fusion zone. The fine equiaxed grains form and columnar dendrites disappear in the remelted zone of two passes. The dendrite arm spacing in the fusion zone becomes widened with increasing welding heat input. Nb-rich carbides/carbonitrides are preferentially precipitated in the fusion zone of multipass laser welded joints. In respect to high cooling rate during multipass laser welding, element segregation could be insufficient to achieve the component of Laves phase.

Microstructural evolution in the HAZ of Inconel 718 and correlation with the hot ductility test

NASA Technical Reports Server (NTRS)

Thompson, R. G.; Genculu, S.

1983-01-01

The nickel-base alloy 718 was evaluated to study the role of preweld heat treatment in reducing or eliminating heat-affected zone hot cracking. Three heat treatments were studied using the Gleeble hot ductility test. A modified hot ductility test was also used to follow the evolution of microstructure during simulated welding thermal cycles. The microstructural evolution was correlated with the hot ductility data in order to evaluate the mechanism of hot cracking in alloy 718. The correlation of hot ductility with microstructure showed that recrystallization, grain growth, and dissolution of precipitates did not in themselves cause any loss of ductility during cooling. Ductility loss during cooling was not initiated until the constitutional liquation of NbC particles was observed in the microstructure. Laves-type phases were found precipitated in the solidified grain boundaries but were not found to correlate with any ductility loss parameter. Mechanisms are reviewed which help to explain how heat treatment controls the hot crack susceptibility of alloy 718 as measured in the hot ductility test.

Nursing rounds as a pedagogical strategy: anchoring theory to practice in gerontological nursing.

PubMed

Perry, J; Paterson, B L

2005-03-01

There is considerable concern among nursing educators that baccalaureate nursing students' ageist attitudes about the elderly and the lack of understanding of the praxis of nursing care of older adults is not significantly changed by classroom lectures or discussions. Although there is general agreement that working with an experienced practitioner may positively impact on nursing students' perceptions and knowledge about the nursing care of older adults, the clinical learning experiences in this field are often uneven and problematic. In the paper, the authors present a strategy, an adaptation of traditional bedside rounds, in which students are invited to become members of a learning community in the nursing care of older adults. Based on the theory of situated learning by Lave and Wenger, the strategy entails nursing students' active involvement with skilled practitioners in the three phases of the strategy, i.e., orientation, adaptation, and integration. The authors describe how the strategy was implemented in one school of nursing. They conclude with an invitation for faculty and practitioners to further refine and assess this strategy.

Effect of Solidification Behavior on Microstructures and Mechanical Properties of Ni-Cr-Fe Superalloy Investment Casting

PubMed Central

Kang, Maodong; Wang, Jun; Gao, Haiyan; Han, Yanfeng; Wang, Guoxiang; He, Shuxian

2017-01-01

The effect of solidification behavior on the microstructures and mechanical properties of Ni-Cr-Fe superalloy investment casting is given. Metallographic and image analysis have been used to quantitatively examine the microstructures’ evolution. For the parts with the thickness of 3 mm and 24 mm, the volume fraction and maximum equivalent radius of the Laves phase increases from 0.3% to 1.2%, from 11.7 μm to 23.4 μm, respectively. Meanwhile, the volume fraction and maximum equivalent radius of carbides increase from 0.3% to 0.5%, from 8.1 μm to 9.9 μm, respectively. In addition, the volume fraction of microporosity increases from 0.3% to 2.7%. As a result, the ultimate tensile strength is reduced from 1125.5 MPa to 820.9 MPa, the elongation from 13.3% to 7.7%, and the quality index from 1294.2 MPa to 954.0 MPa, respectively. A typical brittle fracture is observed on the tensile fracture. As the cooling rate decreases, the microstructures become coarser. PMID:28772611

Creep-Fatigue Interaction and Cyclic Strain Analysis in P92 Steel Based on Test

NASA Astrophysics Data System (ADS)

Ji, Dongmei; Zhang, Lai-Chang; Ren, Jianxing; Wang, Dexian

2015-04-01

This work focused on the interaction of creep and fatigue and cyclic strain analysis in high-chromium ferritic P92 steel based on load-controlled creep-fatigue (CF) tests and conventional creep test at 873 K. Mechanical testing shows that the cyclic load inhibits the propagation of creep damage in the P92 steel and CF interaction becomes more severe with the decrease in the holding period duration and stress ratio. These results are also verified by the analysis of cyclic strain. The fatigue lifetime reduces with the increasing of the holding period duration and it does not reduce much with the increasing stress ratio especially under the conditions of long holding period duration. The cyclic strains (i.e., the strain range and creep strain) of CF tests consist of three stages, which is the same as those for the conventional creep behavior. The microscopic fracture surface observations illustrated that two different kinds of voids are observed at the fracture surfaces and Laves phase precipitates at the bottom of the voids.

The Effect of a Two-Stage Heat-Treatment on the Microstructural and Mechanical Properties of a Maraging Steel

PubMed Central

Sun, Lin; Galvin, Deri Rhys; Hill, Paul; Rawson, Martin; Gilbert, Elliot Paul; Bhadeshia, Harshad; Perkins, Karen

2017-01-01

Maraging steels gain many of their beneficial properties from heat treatments which induce the precipitation of intermetallic compounds. We consider here a two-stage heat-treatment, first involving austenitisation, followed by quenching to produce martensite and then an ageing treatment at a lower temperature to precipitation harden the martensite of a maraging steel. It is shown that with a suitable choice of the initial austenitisation temperature, the steel can be heat treated to produce enhanced toughness, strength and creep resistance. A combination of small angle neutron scattering, scanning electron microscopy, electron back-scattered diffraction, and atom probe tomography were used to relate the microstructural changes to mechanical properties. It is shown that such a combination of characterisation methods is necessary to quantify this complex alloy, and relate these microstructural changes to mechanical properties. It is concluded that a higher austenitisation temperature leads to a greater volume fraction of smaller Laves phase precipitates formed during ageing, which increase the strength and creep resistance but reduces toughness. PMID:29168800

Thermo-mechanical treatment of low-cost alloy Ti-4.5Al-6.9Cr-2.3Mn and microstructure and mechanical characteristics

NASA Astrophysics Data System (ADS)

Chen, Guangyao; Kang, Juyun; Wang, Shusen; Wang, Shihua; Lu, Xionggang; Li, Chonghe

2018-04-01

In this study, the thermo-mechanical treatment process for low-cost Ti-4.5Al-6.9Cr-2.3Mn alloy were designed on the basis of assessment of Ti-Al-Cr-Mn thermodynamic system. The microstructure and mechanical properties of Ti-4.5Al-6.9Cr-2.3Mn forging and sheet were investigated by using the OM, SEM and universal tensile testing machine. The results show that both the forging and sheet were consisted of α + β phase, which is consistent with the expectation, and no element Cr and Mn existed in the grain boundaries of the sheet after quenching, and the C14 laves phase was not detected. The average ultimate tensile strength (σ b), 0.2% proof strength (σ 0.2) and elongation (EI) of alloy sheet after quenching can reach 1059 MPa, 1051 MPa and 24.6 Pct., respectively. Moreover, the average ultimate tensile strength of Ti-4.5Al-6.9Cr-2.3Mn forgings can reach 1599 MPa and the average elongation can reach 11.2 Pct., and a more excellent property of Ti-4.5Al-6.9Cr-2.3Mn forging is achieved than that of TC4 forging. It provides a theoretical support for further developing this low-cost alloy.

40 CFR 201.26 - Procedures for the measurement on receiving property of retarder and car coupling noise.

Code of Federal Regulations, 2014 CFR

2014-07-01

....467 +6 1 Ladj ave max = Lave max +C in dB. Values in Table 2 were calculated from [C=10 log n/T] with... max for Retarders and Car Coupling Impacts 1 [n/T = number of measurements/measurement duration (min... divided by the duration of the measurement period (n/T), to obtain the adjusted average maximum A-weighted...

Plastic Behavior of Al-Li-X Alloys

DTIC Science & Technology

1991-07-01

Ifuneo epr (stem lAig IC 30 IZ v)20 00 100100100 Life (hours) 10 -8 1 1 1 U 8090 Peak Aged -d 8090 Under Aged cz1-9 cc 0 8090 Peak AgedI o 95%R.H. 4000...12), p 768, 1980. 60. F. Laves and H. Witte, Metallwirtschaft, L4, p 645, 1935 ; 75. F. W. Gayle and J. B. Vanderande, Scr. Metall., 18, p 15, p 840

Situated Cognition and the Culture of Learning

DTIC Science & Technology

1988-06-01

1479 are Instantly ecognUMbl today (Lave 1965). MaOy of Woays word problemrs, howver, are as foreign to contemporary authent m practic as they are to the...Solving-Thining Mathematcally Schoehlits iseahig of prablem - v0ng (1966. in press) alternp to show colege student how I* think mathematically about Vhe...Certainly many Pro%@"*on Vwih genersiy acioledged cogniiv loweit. .. medicine. architecture, business . etc.-have nonetheless traditionally been Ileared

Proceedings of the Conference of the International Group for the Psychology of Mathematics Education (PME 20) (20th, Valencia, Spain, July 8-12, 1996). Volume 2.

ERIC Educational Resources Information Center

Puig, Luis, Ed.; Gutierrez, Angel, Ed.

The second volume of this proceedings contains full research articles. Papers include: (1) "Lave and Wenger's social practice theory and teaching and learning school mathematics" (J. Adler); (2) "Being a researcher and being a teacher" (J. Ainley); (3) "Procedural and conceptual aspects of standard algorithms in calculus" (M.B. Ali and D. Tall);…

Design of a Catadioptric VCASS Helmet-Mounted Display

DTIC Science & Technology

1981-11-01

technical impact he evalutes jointly with the optical, mechanical, and electrical designer. The human factors engineer gives to the other workers a sense...Governn:ent drawings, specificatlons, or other data are used for any pi-pose other than a definitely relatei Government procurement operation, the ...Government thereby Incurs no responsibilitY *Or MnY objWpk wbubatsowr. and the fact tht the Government may lave formulated, furnished, or in any way supplied

Family Adaptation to Relocation: An Empirical Analysis of Family Stressors, Adaptive Resources, and Sense of Coherence

DTIC Science & Technology

1989-07-01

825. Lazarus , R. S., & Folkman , S. (1984). Stress, appraisal, and coping. New York: Springer. mcCuIbin, H. I., & Lavee, Y . (1986). Strengthenirg Army...Soirani, 1988; Lazarus & Folkman , 1984; Mckbbin & Patterson, 1983), family adaptation was defined broadly as a crmposite of the overall adjustment of...ongr- y of expectations that members and spouses had prior to arrival in West Germany with their actual experiences since arrival (Alpha: Members = .91

Interpretation of Hydrographic Features Using Landsat Images,

DTIC Science & Technology

1981-06-01

photograph, Western Atlantic Ocean Figure B-2. Apollo 7, Oblique 146 photograph, Gulf of California (October 13, 1968) Figure B-3. Solar elevation 147 angle...of Land,,it imagery uises the the Hotine Oblique Mercator (HOM) map low-gain Linear setting where signals projection. on all four Iiainnels 1lave...Inclination to ecliptic =23.44 ° eliminate sunglint and enhance the A = Sun’s apparent position (00 at water color is to subtract an IR vernal equinox

Derivation of gender and age-specific reference intervals from fully normal Japanese individuals and the implications for health screening.

PubMed

Yamakado, Minoru; Ichihara, Kiyoshi; Matsumoto, Yoshiyuki; Ishikawa, Yoshiki; Kato, Kiminori; Komatsubara, Yusuke; Takaya, Norihide; Tomita, Shohken; Kawano, Reo; Takada, Keisuke; Watanabe, Kiyoaki

2015-07-20

With nationwide standardization of laboratory tests among institutions for health screening in Japan, common reference intervals (RIs) were derived from records of 1,500,000 health check attendees. Targets were 20 basic laboratory tests including body mass index (BMI) and systolic and diastolic blood pressures (SBP, DBP). Individuals fulfilling the following strict criteria were chosen: SBP<130, DBP<85mmHg, BMI<25kg/m(2), non-smoking, ethanol consumption<20g/day and under no mediation with no remarkable current/past illnesses. The latent abnormal values exclusion (LAVE) method was applied to ensure fully normal results. RIs were derived by parametric method using modified Box-Cox power transformation. Among all attendees, 23% fulfilled the criteria. Application of the LAVE method further reduced the dataset by 40%-50%. Age-related charts of test results differed greatly between genders in almost all tests. Comparison of derived RIs with clinical decision limits (CDLs) revealed that the upper limits of RIs differed from CDLs according to gender and age. Implementation of gender and age-specific RIs derived from individuals with fully normal health attributes will (1) enable appropriate interpretation of test results in health screening and (2) promote judicious application of CDLs for therapeutic intervention, taking into account gender, age and other health attributes. Copyright © 2015 Elsevier B.V. All rights reserved.

PHYSICOCHEMICAL INTERACTION OF MANGANESE WITH NIOBIUM (in Russian)

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

Savitskii, E.M.; Kopetskii, Ch.V.

1960-03-01

Microstructural, x-ray phase, and thermal analyses as well as hardness and microhardness determinations were performed on different manganese alloys containing 2.26, with a small Nb content have a two-phase structure characteristic of a eutectic. With increasing Nb content, an increasing amount of an intermetallic compound is formed. With a 2.98 wt.% Nb alloy interference lines of only alpha -Mn with a lattice parameter a = 8.892 kX in the annealed state or of ore resistant t -Mn with a lattice parameter a = 6.290 kX in the molten state can be detected by x-ray analysis. With 5.64 wt.% Nb, linesmore » of a new phase can be detected whose intensities increase with increasing Nb content. This new phase is an intermetallic compound Mn/sub 2/Nb Laves phase with a structure of the MgZn/sub 2/ type. The lattice parameters of the Mn/sub 2/Nb phase are: a = 4.881 kX, c = 7.953 kX, c/a = 1.629. With increasing niobium content the hardness values fall from 900 to 950 hg/mm/sup 2/ for pure manganese to 650 to 700 kg/mm/sup 2/ for the 29.85 wt.% niobium alloy. The hardness of the intermetallic compound is less than the hardness of the alpha -Mn. Thermal analysis showed that additions of niobium to manganese significantly increased the temperature of the alpha = ore resistant t transition which is shifted from 727 tained C for pure manganese to 800 tained C for the alloys. A ore resistant t transition takes place at 1135 tained C by a peritectic reaction. Fusion of a eutectic mixture of -Mn and Mn/sub 2/ Nb occurs at 1220 tained C. The intermetallic compound MnNb melts at 1500 tained C. A phase diagram for the Mn-Nb system is constructed on the basis of these resuits. (TTT) Iodide-derived titanium (99.97%) and neodymium (99.8%) were fused in an electric arc furnace in a helium atmosphere to prepare nine alloys with a necdymium content of 0 to 10%. Smelted and forged samples were annealed in evacuated quartz ampoules for 25 hours at 1000 tained C and 100 hours at 850 tained C. Samples of alloys were quenched in water from temperatures of 600, 800, 850, 890, 920, 1000, and 1100 tained C to determine the state of the system at higher temperatures. Microscopic analyses of phases showed that addition of neodymium stabilizes the alpha -phase. The microhardness of the phase is about 70 kg/mm/sup 2/. Apparently, no intermetallic compounds are formed in the Ti-Nd system. The limiting saturation of the alpha -solid solution at 600 tained C is 1.8 wt.% Nd, as determined from microhardness values on quenched samples of variable neodymium composition. The solubility of neodymium is somewhat greater than the solubility of lanthanum and cerium in alpha -titunium because of the lanthanide contraction. Brinnell hardness values, yield strength, elongation, and reduction in cross- section area were also determined at room temperature. Neodymium is more effective than lanthanum or cerium in increasing the handness and strength of titanium. Small additions of Nd(0.5%) decrease the plasticity slightly. The addition of 1.2 wt.% Ce increases the yield strength of titanium from 32 to 38 to 40 hg/mm/sup 2/, while the same amount of neodymium increases the yield strength to 48 to 50 kg/mm/sup 2/. The strength of Ti-Nd alloys continues to increase even with the appearance of a second phase in the alloy, while in the TiLa and Ti- Ce systems a decrease in strength and a sharp drop in plasticity occurs upon the appearance of a second phase. The solubility of neodymium in alpha -titanium varies considerably with temperature. Hence, a noticeable aging effect can be expected, but this must be confirmed by experiment. (TTT)« less

A History of the Mobile District: 1815 to 1971

DTIC Science & Technology

1975-01-01

Maria , Rachae l , and Thing . The s laves were to work on the construction of the fort at the directi on of the commanding offi cer of engi- nee rs...newspapers in Georgia and Alabama. FOREWORD The Mobile District is one of the oldest and also one of the most active districts in the Corps of...Sciences and Professor of History at Mobile College, to do the job on a contract basis. His diligence in searching out and organizing informa- tion

Tributyltin Effects on Juvenile Mussel Growth.

DTIC Science & Technology

1987-12-01

of tributyltin ( TBT ) in two site~sjecific, flow- through bioassays with unfiltered seawater. Mean TBT concentrations were 70, 80 and 200 ng/l in Test...lave studied the PETS was evaluated over a 7-month period in effects of tributyltin ( TBT ) on mussel (Mtilus San Diego Bay using TBT leachates. A more...ME38 Z0B38 DN888 -749 11. TITILE (hkcAd S@=tyCnifibibol Tributyltin Effects on Juvenile Mussel Growth 12. PERSONAL AUTHOR(S) M.H. Salazar, S.M. Salazar

Establishment of reference intervals of clinical chemistry analytes for the adult population in Saudi Arabia: a study conducted as a part of the IFCC global study on reference values.

PubMed

Borai, Anwar; Ichihara, Kiyoshi; Al Masaud, Abdulaziz; Tamimi, Waleed; Bahijri, Suhad; Armbuster, David; Bawazeer, Ali; Nawajha, Mustafa; Otaibi, Nawaf; Khalil, Haitham; Kawano, Reo; Kaddam, Ibrahim; Abdelaal, Mohamed

2016-05-01

This study is a part of the IFCC-global study to derive reference intervals (RIs) for 28 chemistry analytes in Saudis. Healthy individuals (n=826) aged ≥18 years were recruited using the global study protocol. All specimens were measured using an Architect analyzer. RIs were derived by both parametric and non-parametric methods for comparative purpose. The need for secondary exclusion of reference values based on latent abnormal values exclusion (LAVE) method was examined. The magnitude of variation attributable to gender, ages and regions was calculated by the standard deviation ratio (SDR). Sources of variations: age, BMI, physical exercise and smoking levels were investigated by using the multiple regression analysis. SDRs for gender, age and regional differences were significant for 14, 8 and 2 analytes, respectively. BMI-related changes in test results were noted conspicuously for CRP. For some metabolic related parameters the ranges of RIs by non-parametric method were wider than by the parametric method and RIs derived using the LAVE method were significantly different than those without it. RIs were derived with and without gender partition (BMI, drugs and supplements were considered). RIs applicable to Saudis were established for the majority of chemistry analytes, whereas gender, regional and age RI partitioning was required for some analytes. The elevated upper limits of metabolic analytes reflects the existence of high prevalence of metabolic syndrome in Saudi population.

Magnetic and crystallographic properties of ZrM 2-δZn 20+δ (M=Cr–Cu)

DOE PAGES

Svanidze, E.; II, M. Kindy; Georgen, C.; ...

2016-04-29

Single crystals of the cubic Laves ternaries ZrM 2-δZn 20+δ (M=Mn, Fe, Co, Ni and Cu, 0 ≤ δ ≤ 1) have been synthesized in this paper using a self-flux method. The magnetic properties of these compounds were compared with structurally similar cubic binaries ZrM 2 (M=Mn, Fe, Co, Ni and Cu). A transition from local to itinerant moment magnetism was observed for M=Fe and M=Mn, while all other ternaries exhibit weakly para- or diamagnetic behavior. The local-to-itinerant crossover can be explained by a nearly two-fold increase of the M–M bond length d M–M in ZrM 2-δZn 20+δ compounds, asmore » compared with the ZrM 2 binaries. Additionally, we report two new compounds in this series ZrCrZn 21 and ZrCu 2Zn 20. Finally, analysis of crystallographic and magnetic trends in these materials will aid in understanding of magnetism in general and 3d intermetallics in particular.« less

A Study of the Average Cost of Obstetric Services Delivered at Womack Army Community Hospital, Fort Bragg, North Carolina

DTIC Science & Technology

1985-08-01

interhospital output miy, they still propose that hospitals should have relative stability in their output mix over short periods of time (2-3 years). 3... should reflect what is believed to be the ultimate objective of the health (and hospital) system--the improvement of health levels." 5 4 J. Lave’s Review...169 potential cases for study, 119 met all of the parameters. Concerns 53 about statistical outliers diminishing sample size if they should be

Simple shearing flow of dry soap foams with tetrahedrally close-packed structure

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

Reinelt, Douglas A.; Kraynik, Andrew M.

2000-05-01

The microrheology of dry soap foams subjected to quasistatic, simple shearing flow is analyzed. Two different monodisperse foams with tetrahedrally close-packed (TCP) structure are examined: Weaire-Phelan (A15) and Friauf-Laves (C15). The elastic-plastic response is evaluated by using the Surface Evolver to calculate foam structures that minimize total surface area at each value of strain. The foam geometry and macroscopic stress are piecewise continuous functions of strain. The stress scales as T/V{sup 1/3}, where T is surface tension and V is cell volume. Each discontinuity corresponds to large changes in foam geometry and topology that restore equilibrium to unstable configurations thatmore » violate Plateau's laws. The instabilities occur when the length of an edge on a polyhedral foam cell vanishes. The length can tend to zero smoothly or abruptly with strain. The abrupt case occurs when a small increase in strain changes the energy profile in the neighborhood of a foam structure from a local minimum to a saddle point, which can lead to symmetry-breaking bifurcations. In general, the new structure associated with each stable solution branch results from an avalanche of local topology changes called T1 transitions. Each T1 cascade produces different cell neighbors, reduces surface energy, and provides an irreversible, film-level mechanism for plastic yield behavior. Stress-strain curves and average stresses are evaluated by examining foam orientations that admit strain-periodic behavior. For some orientations, the deformation cycle includes Kelvin cells instead of the original TCP structure; but the foam does not remain perfectly ordered. Bifurcations during subsequent T1 cascades lead to disorder and can even cause strain localization. (c) 2000 Society of Rheology.« less

[INVITED] Laser treatment of Inconel 718 alloy and surface characteristics

NASA Astrophysics Data System (ADS)

Yilbas, B. S.; Ali, H.; Al-Aqeeli, N.; Karatas, C.

2016-04-01

Laser surface texturing of Inconel 718 alloy is carried out under the high pressure nitrogen assisting gas. The combination of evaporation and melting at the irradiated surface is achieved by controlling the laser scanning speed and the laser output power. Morphological and metallurgical changes in the treated surface are analyzed using the analytical tools including optical, electron scanning, and atomic force microscopes, energy dispersive spectroscopy, and X-ray diffraction. Microhardnes and friction coefficient of the laser treated surface are measured. Residual stress formed in the surface region is determined from the X-ray diffraction data. Surface hydrophobicity of the laser treated layer is assessed incorporating the sessile drop method. It is found that laser treated surface is free from large size asperities including cracks and the voids. Surface microhardness increases significantly after the laser treatment process, which is attributed to the dense layer formation at the surface under the high cooling rates, dissolution of Laves phase in the surface region, and formation of nitride species at the surface. Residual stress formed is compressive in the laser treated surface and friction coefficient reduces at the surface after the laser treatment process. The combination of evaporation and melting at the irradiated surface results in surface texture composes of micro/nano-poles and pillars, which enhance the surface hydrophobicity.

Effect of thermal treatment on the corrosion resistance of Type 316L stainless steel exposed in supercritical water

NASA Astrophysics Data System (ADS)

Jiao, Y.; Zheng, W.; Guzonas, D. A.; Cook, W. G.; Kish, J. R.

2015-09-01

There are still unknown aspects about the growth mechanism of oxide scales formed on candidate stainless steel fuel cladding materials during exposure in supercritical water (SCW) under the conditions relevant to the Canadian supercritical water-cooled reactor (SCWR). The tendency for intermetallic precipitates to form within the grains and on grain boundaries during prolonged exposure at high temperatures represents an unknown factor to corrosion resistance, since they tend to bind alloyed Cr. The objective of this study was to better understand the extent to which intermetallic precipitates affects the mode and extent of corrosion in SCW. Type 316L stainless steel, used as a model Fe-Cr-Ni-Mo alloy, was exposed to 25 MPa SCW at 550 °C for 500 h in a static autoclave for this purpose. Mechanically-abraded samples were tested in the mill-annealed (MA) and a thermally-treated (TT) condition. The thermal treatment was conducted at 815 °C for 1000 h to precipitate the carbide (M23C6), chi (χ), laves (η) and sigma (σ) phases. It was found that although relatively large intermetallic precipitates formed at the scale/alloy interface locally affected the oxide scale formation, their discontinuous formation did not affect the short-term overall apparent corrosion resistance.

Tensile strength and creep behaviour of austenitic stainless steel type 18Cr - 12Ni with niobium additions at 700°C

NASA Astrophysics Data System (ADS)

Sordi, V. L.; Bueno, L. O.

2010-07-01

The effect of niobium additions up to 2.36 wt% on the creep behavior of a series of seven extra low carbon 18Cr-12Ni austenitic stainless steels at 700°C has been investigated. Grain size and hardness measurements, hot tensile tests and constant stress creep tests from 90 to 180 MPa were carried out for each alloy, in the solution treated condition at 1050, 1200 and 1300°C followed by quench in water. The mechanical behavior at high temperature was related to the amount of NbC precipitation occurring during the tests. Solid solution and intermetallic compound effects were also considered. Creep data analysis was done to determine the parameters of the creep power-law equation dot epsilon = A.σn and the Monkman-Grant relation dot epsilon.tmR = K. Niobium-carbide precipitation in these steels reduces the secondary stage dependence of strain rate with applied stress, resulting in n-values which indicate the possibility of operation of various creep mechanisms. The creep strength during the secondary stage is primarily controlled by the amount of NbC available for precipitation. However, the rupture times increase progressively with niobium content, as the amount of undissolved carbide particles in grain boundaries and the Laves phase precipitation increase.

Simple shearing flow of dry soap foams with TCP structure[Tetrahedrally Close-Packed

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

REINELT,DOUGLAS A.; KRAYNIK,ANDREW M.

2000-02-16

The microrheology of dry soap foams subjected to large, quasistatic, simple shearing deformations is analyzed. Two different monodisperse foams with tetrahedrally close-packed (TCP) structure are examined: Weaire-Phelan (A15) and Friauf-Laves (C15). The elastic-plastic response is evaluated by calculating foam structures that minimize total surface area at each value of strain. The minimal surfaces are computed with the Surface Evolver program developed by Brakke. The foam geometry and macroscopic stress are piecewise continuous functions of strain. The stress scales as T/V{sup 1/3} where T is surface tension and V is cell volume. Each discontinuity corresponds to large changes in foam geometrymore » and topology that restore equilibrium to unstable configurations that violate Plateau's laws. The instabilities occur when the length of an edge on a polyhedral foam cell vanishes. The length can tend to zero smoothly or abruptly with strain. The abrupt case occurs when a small increase in strain changes the energy profile in the neighborhood of a foam structure from a local minimum to a saddle point, which can lead to symmetry-breaking bifurcations. In general, the new foam topology associated with each stable solution branch results from a cascade of local topology changes called T1 transitions. Each T1 cascade produces different cell neighbors, reduces surface energy, and provides an irreversible, film-level mechanism for plastic yield behavior. Stress-strain curves and average stresses are evaluated by examining foam orientations that admit strain-periodic behavior. For some orientations, the deformation cycle includes Kelvin cells instead of the original TCP structure; but the foam does not remain perfectly ordered. Bifurcations during subsequent T1 cascades lead to disorder and can even cause strain localization.« less

'It's a cultural expectation...' The pressure on medical trainees to work independently in clinical practice.

PubMed

Kennedy, Tara J T; Regehr, Glenn; Baker, G Ross; Lingard, Lorelei A

2009-07-01

Medical trainees demonstrate a reluctance to ask for help unless they believe it is absolutely necessary, a situation which could impact on the safety of patients. This study aimed to develop a theoretical exploration of the pressure on medical trainees to be independent and to generate theory-based approaches to the implications for patient safety of this pressure towards independent working. In Phase 1, 88 teaching team members from internal and emergency medicine were observed during clinical activities (216 hours), and 65 participants completed brief interviews. In Phase 2, 36 in-depth interviews were conducted using video vignettes. Data collection and analysis employed grounded theory methodology. Participants conceived that the pressure towards independence in clinical work originated in trainees' desire to lay claim to the identity of a doctor (as a member of a group of autonomous high achievers), and in organisational issues such as heavy workloads and constant evaluations. The identity and organisational issues related to the pressure towards independence were explored through the lenses of established theories from education and psychology. Consideration of Lave and Wenger's situated learning theory suggests that giving attention to the 'independent doctor' ideal, through measures such as involving trainees when their supervisors ask for help, could impact the safety of teaching team practice. Amalberti et al.'s migration model explains how pressures to maximise productivity and individual gain may cause teaching teams to migrate beyond the boundaries of safe practice and suggests that managing triggers (such as workload and high-stakes evaluations) for violations of safe practice might improve safety. Implementation and evaluation of these theory-based approaches to the safety of teaching team practice would contribute to a better understanding of the links between trainee independence and patient safety.

[Reference Intervals of Standard Test Items in Ningen Dock Examination].

PubMed

Yamakado, Minoru

2016-03-01

Reference intervals (RIs) were derived from records of 1,499,288 individuals who underwent ningen dock examination in 188 institutes which belong to Japan Society of Ningen Dock in 2012. Targets were 27 basic laboratory tests, including the body mass index (BMI) and systolic and diastolic blood pressures (SBP, DBP). Individuals fulfilling strict criteria were chosen: SBP < 130, DBP < 85 mmHg, BMI < 25 Kg/m2, non-smoking, ethanol consumption < 20 g/day, under no medication, with no remarkable current/past illness. The latent abnormal values exclusion (LAVE) method was applied to ensure normal results. RLs were derived using a parametric method with modified Box-Cox power transformation. Among all attendees, 23% fulfilled the criteria. Application of the LAVE method further reduced the dataset by 40-50%. RIs without distinction of the sex and age were SBP, DBP, TP, TB, MCV, WBC, and Plt. Sex-specific RIs were BMI, CRE, UA, TG, HDL-C, ALT, GGT, Glu, RBC, Hb, and Ht. Age-specific RIs in either sex were Alb, AST, HbA1c, TC, LDL-C, FW-LDL-C, nonHDL-C, and ALP. An age-specific RI without distinction of the sex was eGFR. Comparison of derived RIs with clinical decision limits (CDLs) revealed that the upper limits of RIs differed from CDLs according to the sex and age. Implementation of sex- and age-related RIs derived from individuals with fully normal ningen dock results will enable the appropriate interpretation of test results in health screening, and promote the effective application of CDLs for therapeutic intervention, taking into account the sex, age, and other health attributes.

A global multicenter study on reference values: 1. Assessment of methods for derivation and comparison of reference intervals.

PubMed

Ichihara, Kiyoshi; Ozarda, Yesim; Barth, Julian H; Klee, George; Qiu, Ling; Erasmus, Rajiv; Borai, Anwar; Evgina, Svetlana; Ashavaid, Tester; Khan, Dilshad; Schreier, Laura; Rolle, Reynan; Shimizu, Yoshihisa; Kimura, Shogo; Kawano, Reo; Armbruster, David; Mori, Kazuo; Yadav, Binod K

2017-04-01

The IFCC Committee on Reference Intervals and Decision Limits coordinated a global multicenter study on reference values (RVs) to explore rational and harmonizable procedures for derivation of reference intervals (RIs) and investigate the feasibility of sharing RIs through evaluation of sources of variation of RVs on a global scale. For the common protocol, rather lenient criteria for reference individuals were adopted to facilitate harmonized recruitment with planned use of the latent abnormal values exclusion (LAVE) method. As of July 2015, 12 countries had completed their study with total recruitment of 13,386 healthy adults. 25 analytes were measured chemically and 25 immunologically. A serum panel with assigned values was measured by all laboratories. RIs were derived by parametric and nonparametric methods. The effect of LAVE methods is prominent in analytes which reflect nutritional status, inflammation and muscular exertion, indicating that inappropriate results are frequent in any country. The validity of the parametric method was confirmed by the presence of analyte-specific distribution patterns and successful Gaussian transformation using the modified Box-Cox formula in all countries. After successful alignment of RVs based on the panel test results, nearly half the analytes showed variable degrees of between-country differences. This finding, however, requires confirmation after adjusting for BMI and other sources of variation. The results are reported in the second part of this paper. The collaborative study enabled us to evaluate rational methods for deriving RIs and comparing the RVs based on real-world datasets obtained in a harmonized manner. Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.

A nationwide multicentre study in Turkey for establishing reference intervals of haematological parameters with novel use of a panel of whole blood

PubMed Central

Ozarda, Yesim; Ichihara, Kiyoshi; Bakan, Ebubekir; Polat, Harun; Ozturk, Nurinnisa; Baygutalp, Nurcan K.; Taneli, Fatma; Guvenc, Yesim; Ormen, Murat; Erbayraktar, Zubeyde; Aksoy, Nurten; Sezen, Hatice; Demir, Meltem; Eskandari, Gulcin; Polat, Gurbuz; Mete, Nuriye; Yuksel, Hatice; Vatansev, Husamettin; Gun, Fatma; Akin, Okhan; Ceylan, Ozlem; Noyan, Tevfik; Gozlukaya, Ozgul; Aliyazicioglu, Yuksel; Kahraman, Sevim; Dirican, Melahat; Tuncer, Gul Ozlem; Kimura, Shogo; Eker, Pinar

2017-01-01

Introduction A nationwide multicentre study was conducted to establish well-defined reference intervals (RIs) of haematological parameters for the Turkish population in consideration of sources of variation in reference values (RVs). Materials and methods K2-EDTA whole blood samples (total of 3363) were collected from 12 laboratories. Sera were also collected for measurements of iron, UIBC, TIBC, and ferritin for use in the latent abnormal values exclusion (LAVE) method. The blood samples were analysed within 2 hours in each laboratory using Cell Dyn and Ruby (Abbott), LH780 (Beckman Coulter), or XT-2000i (Sysmex). A panel of freshly prepared blood from 40 healthy volunteers was measured in common to assess any analyser-dependent bias in the measurements. The SD ratio (SDR) based on ANOVA was used to judge the need for partitioning RVs. RIs were computed by the parametric method with/without applying the LAVE method. Results Analyser-dependent bias was found for basophils (Bas), MCHC, RDW and MPV from the panel test results and thus those RIs were derived for each manufacturer. RIs were determined from all volunteers’ results for WBC, neutrophils, lymphocytes, monocytes, eosinophils, MCV, MCH and platelets. Gender-specific RIs were required for RBC, haemoglobin, haematocrit, iron, UIBC and ferritin. Region-specific RIs were required for RBC, haemoglobin, haematocrit, UIBC, and TIBC. Conclusions With the novel use of a freshly prepared blood panel, manufacturer-specific RIs’ were derived for Bas, Bas%, MCHC, RDW and MPV. Regional differences in RIs were observed among the 7 regions of Turkey, which may be attributed to nutritional or environmental factors, including altitude. PMID:28694726

Galvanic Corrosion Behavior of Microwave Welded and Post-weld Heat-Treated Inconel-718 Joints

NASA Astrophysics Data System (ADS)

Bansal, Amit; Sharma, Apurbba Kumar; Kumar, Pradeep

2017-05-01

In the present study, corrosion behavior of microwave welded Inconel-718 at various conditions was investigated. Welding of Inconel-718 in 980 °C solution-treated condition was performed using microwave hybrid heating technique. The microwave welds were subjected to post-heat treatment for improving its microstructure and mechanical properties by solubilizing the Nb-enriched Laves phase. The microstructural features of the fabricated welds at various conditions were investigated through scanning electron microscopy. The electrochemical testing results revealed that Inconel-718 welds were galvanic corroded when they were anodically polarized in 3.5 wt.% NaCl solution at 28 °C. The difference in the corrosion potentials between the base metal (BM) and fusion zone (FZ) in an Inconel-718 weld was the main factor for galvanic corrosion. The highest corrosion was occurred in the as-welded/aged weldments, followed by 980 °C solution-treated and aged weldments, as-welded specimen, and 1080 °C solution-treated and aged (1080STA) weldments. The least galvanic corrosion was occurred in the 1080STA specimens due to almost uniform microstructure developed in the weldment after the treatment. Thus, it was possible to minimize the galvanic corrosion in the microwave welded Inconel-718 by 1080STA treatment which resulted in reducing the difference in corrosion potentials between the BM and the FZ.

Control of microstructure and mechanical properties of laser solid formed Inconel 718 superalloy by electromagnetic stirring

NASA Astrophysics Data System (ADS)

Liu, Fencheng; Cheng, Hongmao; Yu, Xiaobin; Yang, Guang; Huang, Chunping; Lin, Xin; Chen, Jing

2018-02-01

The coarse columnar grains and special interface in laser solid formed (LSFed) Inconel 718 superalloy workpieces seriously affect their mechanical properties. To improve the microstructure and mechanical properties of LSFed Inconel 718 superalloy, electromagnetic stirring (EMS) was introduced to alter the solidification process of the molten pool during LSF. The results show that EMS could not completely eliminate the epitaxially growing columnar grains, however, the strong convection of liquid metals can effectively influence the solid-liquid interface growing mode. The segregation of alloying elements on the front of solid-liquid interface is inhibited and the degree of constitutional supercooling decreases correspondingly. Comparing the microstructures of samples formed under different process parameters, the size and amount of the γ+Laves eutectic phases formed in interdendritic area decrease along with the increasing magnetic field intensity, resulting in more uniformly distributed alloying elements. The residual stress distribution is proved to be more uniform, which is beneficial to the grain refinement after recrystallilzaiton. Mechanical properties testing results show an improvement of 100 MPa in tensile strength and 22% in elongation was obtained after EMS was used. The high cycle fatigue properties at room temperature was also improved from 4.09 × 104 cycles to 8.21 × 104 cycles for the as-deposited samples, and from 5.45 × 104 cycles to 12.73 × 104 cycles for the heat treated samples respectively.

Source regions and water release mechanisms of Martian Valley Networks

NASA Astrophysics Data System (ADS)

Jaumann, R.; Reiss, D.; Sander, T.; Gwinner, K.; Roatsch, T.; Matz, K.-D.; Hauber, E.; Mertens, V.; Hoffmann, H.; Neukum, G.; HRSC Co-Investigator Team

Martian valley networks have been cited as the best evidence that Mars maintained flow of liquid water across the surface. Although internal structures associated with a fluvial origin within valleys like inner channels, terraces, slip-off and undercut slopes are extremely rare on Mars (Carr and Malin, 2000) such features can be identified in high-resolution imagery (e.g. Malin and Edgett, 2001; Jaumann et al., 2005). However, besides internal features the source regions are an important indicator for the flow processes in Martian valleys because they define the drainage area and thus constrain the amount of available water for eroding the valley network. Furthermore, the morphology of the source regions and their topographic characteristics provide information about the origin of the water. On Mars valley networks are thought to be formed by retreating erosion where the water is supplied from the sub-surface. However, the mechanisms that are responsible for the release of ground water are poorly understood. The three dimensional highly resolved data of the High Resolution Stereo Camera (HRSC) on the Mars Express Mission (Neukum et al., 2004) allow the detailed examination of valley network source regions. A valley network in the western Lybia Montes region valley between 1.4°N to 3.5°N and 81.6°E to 82.5°E originates at a highland mountain region and drains down to Isidis Planitia over a distance of 400 km. Most of its distance the valley exhibits an interior channel that allows to constraint discharge and erosion budgets (Jaumann, et al., 2005). The valley was formed in the Noachian/Hesperian between 3.7 and 3.3 billion years. However, discharge and erosion budgets restrict the erosion time to a few million years in total, indicating single events rather than continuous flow over long periods. The source region of the valley is covered by a series of lava flows. Even the upstream part of the valley is covered by lava flows that cover the interior channel. Within this part of the valley a younger interior channel cuts the lava flow indicating at least two major flow events. Tributaries are rare, short and not dendritically arranged. Although we cannot exclude an early period of precipitation, most of the valley has been formed by retreating erosion caused by subsurface water release. The close correlation of val1 ley erosional structures and lave emplacement indicate a volcanically triggered water release mechanism either by hydrothermal driven expulsion of groundwater or more likely by melting and mobilizing ground ice due to lave induced heat. Carr, M. H., and M. C. Malin, Icarus, 146, 366-386, 2000; Jaumann, R., et al., GRL 32, L16203, 2005; Malin, M.C., and Edgett, K.S., JGR 106, E10, 23429-23570, 200; Neukum, G. et al, ESA Special Publications SP-1240, 2004. 2

Aircraft Accidents: Trends in Aerospace Medical Investigation Techniques (Les Accidents d’Aeronefs: les Tendances en Techniques d’Investigation Medicale)

DTIC Science & Technology

1992-09-01

CONDITIONS AT TIME OF RESCUE 8 Chemica 1 Clear 9- Unknown 2 Fog 16 othOer 3 Hail4_ Overcast (9) DIRECT" FACED AT PARACHUTE LANDING Rain I () DRECION6...synth~se des accidents F-16 de cat~gorie A aurvenus cý la Force A6rienne Beige; je pense poaa~ der une bonne con-3 naissance des dossiers, a’y’nt 6t6...or mock-ups in or- history of the concentrations Lave been der to study the development of environ- used to establish the model. The main re- mental

Fernandina caldera collapse morphology in geometric and dynamic comparison to sandbox models, subsidence sinks over nuclear-explosion cavities, and some other calderas

NASA Astrophysics Data System (ADS)

Howard, K. A.

2009-12-01

The 1968 collapse structure of Fernandina caldera (1.5 km3 collapsed) and also the smaller Darwin Bay caldera in Galápagos each closely resembles morphologically the structural zoning of features found in depressions collapsed into nuclear-explosion cavities (“sinks” of Houser, 1969) and in coherent sandbox-collapse models. Coherent collapses characterized by faulting, folding, and organized structure contrast with spalled pit craters (and lab experiments with collapsed powder) where disorganized piles of floor rubble result from tensile failure of the roof. Subsidence in coherent mode, whether in weak sand in the lab, stronger desert alluvium for nuclear-test sinks, or in hard rock for calderas, exhibits consistent morphologic zones. Characteristically in the sandbox and the nuclear-test analogs these include a first-formed central plug that drops along annular reverse faults. This plug and a surrounding inward-tilted or monoclinal ring (hanging wall of the reverse fault) contract as the structure expands outward by normal faulting, wherein peripheral rings of distending material widen the upper part of the structure along inward-dipping normal faults and compress inner zones and help keep them intact. In Fernandina, a region between the monocline and the outer zone of normal faulting is interpreted, by comparison to the analogs, to overlie the deflation margin of an underlying magma chamber. The same zoning pattern is recognized in structures ranging from sandbox subsidence features centimeters across, to Alae lave lake and nuclear-test sinks tens to hundreds of meters across, to Fenandina’s 2x4 km-wide collapse, to Martian calderas tens of kilometers across. Simple dimensional analysis using the height of cliffs as a proxie for material strength implies that the geometric analogs are good dynamic analogs, and validates that the pattern of both reverse and normal faulting that has been reported consistently from sandbox modeling applies widely to calderas.

Characterization of photonic colloidal crystals in real and reciprocal space

NASA Astrophysics Data System (ADS)

Thijssen, J. H. J.

2007-05-01

In this thesis, we present experimental work on the characterization of photonic colloidal crystals in real and reciprocal space. Photonic crystals are structures in which the refractive index varies periodically in space on the length scale of the wavelength of light. Self-assembly of colloidal particles is a promising route towards three-dimensional (3-D) photonic crystals. However, fabrication of photonic band-gap materials remains challenging, so calculations that predict their optical properties are indispensable. Our photonic band-structure calculations on binary Laves phases have led to a proposed route towards photonic colloidal crystals with a band gap in the visible region. Furthermore, contrary to results in literature, we found that there is no photonic band gap for inverse BCT crystals. Finally, optical spectra of colloidal crystals were analyzed using band-structure calculations. Self-assembled photonic crystals are fabricated in multiple steps. Each of these steps can significantly affect the 3-D structure of the resulting crystal. X-rays are an excellent probe of the internal structure of photonic crystals, even if the refractive-index contrast is large. In Chapter 3, we demonstrate that an angular resolution of 0.002 mrad is achievable at a third-generation synchrotron using compound refractive optics. As a result, the position and the width of Bragg reflections in 2D diffraction patterns can be resolved, even for lattice spacings larger than a micrometer (corresponding to approximately 0.1 mrad). X-ray diffraction patterns and electron-microscopy images are used in Chapter 4 to determine the orientation of hexagonal layers in convective-assembly colloidal crystals. Quantitative analysis revealed that, in our samples, the layers were not exactly hexagonal and the stacking sequence was that of face-centered cubic (FCC) crystals, though stacking faults may have been present. In Chapter 5, binary colloidal crystals of organic spheres (polystyrene, PMMA) and/or inorganic spheres (silica) are introduced as promising templates for strongly photonic crystals. To prevent melting of the template, we used atomic layer deposition (ALD) to infiltrate polystyrene and PMMA templates with alumina, after which chemical vapor deposition (CVD) was used to further enhance the refractive-index contrast. Binary colloidal crystals of silica spheres can be infiltrated by CVD directly, but they often have a layer of colloidal fluid on top. Preliminary etching experiments demonstrated that it may be possible to etch silica templates with plasmas or with adhesive tape. As described in Chapter 6, sedimentation of colloidal silica spheres in an external, high-frequency electric field lead to mm-scale BCT crystals with up to 25 layers. In addition, electric fields were used as an external control to switch between BCT and close-packed (CP) crystal structures within seconds. We also developed two procedures to invert BCT crystals without loss of structure - colloidal particles were immobilized by diffusion-polymerization or photo-induced polymerization of the surrounding solvent. Some BCT crystals were even infiltrated with silicon using CVD. We demonstrate in Chapter 7 that X-ray diffraction can be used to determine the 3-D structure of such photonic colloidal crystals at the various stages of their fabrication. Excellent agreement was found with confocal and electron-microscopy images.

The influence of educational context on science learning: a cross-national analysis of PISA

NASA Astrophysics Data System (ADS)

Coll, Richard K.; Dahsah, Chanyah; Faikhamta, Chatree

2010-04-01

The literature is replete with studies about the importance of context in relation to teaching and learning. Major international studies such as PISA, among others, attempt to develop an understanding of achievement in science learning in a variety of educational contexts. Here we explore the influence of educational context itself on science learning as measured by PISA. Comparison is made between two countries: one developed or 'western' nation, New Zealand, and one non-western developing nation from southeast Asia, Thailand. In this work the authors seek to establish links between the nature of the educational context (based on Lave's notion of situated cognition) and achievement in the PISA science evaluation exercise.

General practice training environment and its impact on preparedness.

PubMed

Wiener-Ogilvie, Sharon; Bennison, Jenny; Smith, Victor

2014-01-01

The notion of preparedness for practice is poorly defined in medical education literature. It is unclear what preparedness means and how the training environment impacts on preparedness for practice. This paper aims to explore the meaning that GP trainees and newly qualified GPs attach to the notion of preparedness, and to examine the ways in which they perceive their training environment to impact on preparedness. We used a qualitative interpretive approach and conducted 27 in-depth semi-structured interviews with 15 newly qualified GPs and 12 GP trainees at the end of their training. Two central categories describing preparedness emerged; 'confidence' and 'adaptability'. Inclusive training practices, characterised by non-hierarchical relationships between the doctors, particularly vis-à-vis trainees, were reported to be more 'progressive' and were better at preparing trainees. The way the training practice can impact on preparedness can be explained drawing on Lave and Wenger's theory of 'situated learning'. The role of the trainer was also pivotal in preparing trainees. Supervision tailored to trainees' needs, and guided decision making enhanced confidence of trainees in their ability to work independently in the future. We suggest that for GP trainees to be better prepared it is not enough to extend GP training; rather it is important that GP trainees' time is spent in inclusive training environments.

How do medical educators design a curriculum that facilitates student learning about professionalism?

PubMed

Langendyk, Vicki; Mason, Glenn; Wang, Shaoyu

2016-02-04

This study analyses the ways in which curriculum reform facilitated student learning about professionalism. Design-based research provided the structure for an iterative approach to curriculum change which we undertook over a 3 year period. The learning environment of the Personal and Professional Development Theme (PPD) was analysed through the sociocultural lens of Activity Theory. Lave and Wenger's and Mezirow's learning theories informed curriculum reform to support student development of a patient-centred and critically reflective professional identity. The renewed pedagogical outcomes were aligned with curriculum content, learning and teaching processes and assessment, and intense staff education was undertaken. We analysed qualitative data from tutor interviews and free-response student surveys to evaluate the impact of curriculum reform. Students' and tutors' reflections on learning in PPD converged on two principle themes--'Developing a philosophy of medicine' and 'Becoming an ethical doctor'--which corresponded to the overarching PPD theme aims of communicative learning. Students and tutors emphasised the importance of the unique learning environment of PPD tutorials for nurturing personal development and the positive impact of the renewed assessment programme on learning. A theory-led approach to curriculum reform resulted in student engagement in the PPD curriculum and facilitated a change in student perspective about the epistemological foundation of medicine.

Learning to Teach as Situated Learning: An Examination of Student Teachers as Legitimate Peripheral Participants in Cooperating Teachers' Classrooms

NASA Astrophysics Data System (ADS)

McDonald, Eric J.

Learning to teach science well is a complex endeavor and student teaching provides a time for emerging teachers to learn how to reason in this uncertain landscape. Many pre-service teachers have rated student teaching as a very important part of their teacher education program (Koerner, Rust, & Baumgartner, 2002; Levine, 2006) and there is little doubt that this aspect of teacher preparation has a great impact (Wilson, Floden, Ferrinin-Mundy, 2001). It is surprising, therefore, that the interaction between the cooperating teacher and student teacher represents a gap in the literature (Cochran-Smith & Zeichner, 2005). In fact, little effort has been made in science education "to understand the contributions of cooperating teachers and teacher educators" (p. 322). Research is needed into not only how teacher preparation programs can help pre-service teachers make this transition from student teacher to effective teacher but also how the expertise of the cooperating teacher can be a better articulated part of the development of the student teacher. This instrumental case study examines the nature and substance of the cooperating teacher/student teacher conversations and the changes in those conversations over time. Using the theoretical framework of situated learning (Lave & Wenger, 1991; Lave, 1996) the movement of the student teacher from their position on the periphery of practice toward a more central role is examined. Three cooperating teacher/student teacher pairs provided insight into this important time with case data coming from pre and post interviews, baseline surveys, weekly update surveys, and recorded conversations from the pair during their time together. Four major themes emerged from the cases and from cross case comparisons with implications for student teachers regarding how they react to greater responsibility, cooperating teachers regarding how they give access to the community of practice, and the teacher preparation community regarding the role it plays in helping to facilitate this process.

Comparison of Vehicle Choice Models

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

Stephens, Thomas S.; Levinson, Rebecca S.; Brooker, Aaron

Five consumer vehicle choice models that give projections of future sales shares of light-duty vehicles were compared by running each model using the same inputs, where possible, for two scenarios. The five models compared — LVCFlex, MA3T, LAVE-Trans, ParaChoice, and ADOPT — have been used in support of the Energy Efficiency and Renewable Energy (EERE) Vehicle Technologies Office in analyses of future light-duty vehicle markets under different assumptions about future vehicle technologies and market conditions. The models give projections of sales shares by powertrain technology. Projections made using common, but not identical, inputs showed qualitative agreement, with the exception ofmore » ADOPT. ADOPT estimated somewhat lower advanced vehicle shares, mostly composed of hybrid electric vehicles. Other models projected large shares of multiple advanced vehicle powertrains. Projections of models differed in significant ways, including how different technologies penetrated cars and light trucks. Since the models are constructed differently and take different inputs, not all inputs were identical, but were the same or very similar where possible. Projections by all models were in close agreement only in the first few years. Although the projections from LVCFlex, MA3T, LAVE-Trans, and ParaChoice were in qualitative agreement, there were significant differences in sales shares given by the different models for individual powertrain types, particularly in later years (2030 and later). For example, projected sales shares of conventional spark-ignition vehicles in 2030 for a given scenario ranged from 35% to 74%. Reasons for such differences are discussed, recognizing that these models were not developed to give quantitatively accurate predictions of future sales shares, but to represent vehicles markets realistically and capture the connections between sales and important influences. Model features were also compared at a high level, and suggestions for further comparison of models are given to enable better understanding of how different features and algorithms used in these models may give different projections.« less

Magnetic Compton scattering study of Laves phase ZrFe2 and Sc doped ZrFe2: Experiment and Green function based relativistic calculations

NASA Astrophysics Data System (ADS)

Bhatt, Samir; Mund, H. S.; Kumar, Kishor; Bapna, Komal; Dashora, Alpa; Itou, M.; Sakurai, Y.; Ahuja, B. L.

2018-05-01

Spin momentum densities of ferromagnetic ZrFe2 and Zr0.8Sc0.2Fe2 have been measured using magnetic Compton scattering with 182.65 keV circularly polarized synchrotron radiations. Site specific spin moments, which are responsible for the formation of total spin moment, have been deduced from Compton line shapes. At room temperature, the computed spin moment of ZrFe2 is found to be slightly higher than that of Sc doped ZrFe2 which is in consensus with the magnetization data. To compare the experimental data, we have also computed magnetic Compton profiles (MCPs), total and partial spin projected density of states (DOS) and the site specific spin moments using spin-polarized relativistic Korringa-Kohn-Rostoker method. It is observed that the spin moment at Fe site is aligned antiparallel to that of Zr site in both ZrFe2 and Zr0.8Sc0.2Fe2. The MCP results when compared with vibrating sample magnetometer based magnetization data, show a very small contribution of orbital moment in the formation of total magnetic moments in both the compounds. The DOS of ferromagnetic ground state of ZrFe2 and Zr0.8Sc0.2Fe2 are interpreted on the basis of a covalent magnetic model beyond the Stoner rigid band model. It appears that on alloying between a magnetic and a non-magnetic partner (with low valence), a polarization develops on the non-magnetic atom which is anti-parallel to that of the magnetic atom.

Effect of prior-austenite grain refinement on microstructure, mechanical properties and thermal embrittlement of 9Cr-1Mo-0.1C steel

NASA Astrophysics Data System (ADS)

Karthikeyan, T.; Dash, Manmath Kumar; Ravikirana; Mythili, R.; Panneer Selvi, S.; Moitra, A.; Saroja, S.

2017-10-01

The effect of 'conventional normalizing and tempering' (CNT) and 'double austenitization based normalizing and tempering' (DNT) heat treatments on the microstructure, tensile, creep and impact toughness properties of 9Cr-1Mo steel has been studied. The tempered martensite microstructure obtained through DNT treatment exhibited smaller sizes of prior-austenite grains/martensite packets (28 μm/11 μm) compared to the CNT treatment (44 μm/14 μm). The tempered martensite morphology was largely retained after long-term thermal aging at 550 °C/5000 h, while the M23C6 and M2(C,N) type of precipitates were found to act as nucleation sites for precipitation of brittle Fe2Mo Laves phase. The grain refinement by DNT was found to be beneficial for minimizing the ductile-to-brittle transition characteristics (25 °C lower ductile-to-brittle transition temperature and 70 J higher upper shelf energy) over the CNT. Thermal embrittlement occurred in both heated treated steels, but the transition temperature of aged DNT steel remained below room temperature. Fractured Charpy specimens revealed ductile failure by void coalescence for high temperature tests, and a quasi-cleavage fracture at low temperatures with few isolated occurrence of intergranular crack in thermal embrittled steel. The DNT treated steel resulted in similar or better tensile and creep properties, when compared to the CNT treatment. The homogeneous fine grained tempered martensite microstructure obtained by DNT treatment resulted in improved embrittlement resistance and mechanical properties over the conventional treatment.

How do medical educators design a curriculum that facilitates student learning about professionalism?

PubMed Central

Mason, Glenn; Wang, Shaoyu

2016-01-01

Objectives This study analyses the ways in which curriculum reform facilitated student learning about professionalism. Methods Design-based research provided the structure for an iterative approach to curriculum change which we undertook over a 3 year period. The learning environment of the Personal and Professional Development Theme (PPD) was analysed through the sociocultural lens of Activity Theory. Lave and Wenger’s and Mezirow’s learning theories informed curriculum reform to support student development of a patient-centred and critically reflective professional identity. The renewed pedagogical outcomes were aligned with curriculum content, learning and teaching processes and assessment, and intense staff education was undertaken. We analysed qualitative data from tutor interviews and free-response student surveys to evaluate the impact of curriculum reform. Results Students’ and tutors’ reflections on learning in PPD converged on two principle themes - ‘Developing a philosophy of medicine’ and ‘Becoming an ethical doctor’- which corresponded to the overarching PPD theme aims of communicative learning. Students and tutors emphasised the importance of the unique learning environment of PPD tutorials for nurturing personal development and the positive impact of the renewed assessment programme on learning. Conclusions A theory-led approach to curriculum reform resulted in student engagement in the PPD curriculum and facilitated a change in student perspective about the epistemological foundation of medicine. PMID:26845777

The effect of tungsten on dislocation recovery and precipitation behavior of low-activation martensitic 9Cr steels

NASA Astrophysics Data System (ADS)

Abe, F.; Araki, H.; Noda, T.

1991-10-01

The effect of W on dislocation recovery and precipitation behavior was investigated for martensitic 9Cr-(0,l,2,4)W-0.1C (wt pct) steels after quenching, tempering, and subsequent prolonged aging. The steels were low induced-radioactivation martensitic steels for fusion reactor structures, intended as a possible replacement for conventional (7 to 12)Cr-Mo steels. During tempering after quenching, homogeneous precipitation of fine W2C occurred in martensite, causing secondary hardening between 673 and 823 K. The softening above the secondary hardening temperature shifted to higher temperatures with increasing W concentration, which was correlated with the decrease in self-diffusion rates with increasing W concentration. Carbides M23C6 and M7C3 were precipitated in the 9Cr steel without W after high-temperature tempering at 1023 K. With increasing W concentration, M7C3 was replaced by M23C6, and M6C formed in addition to M23C6. During subsequent aging at temperatures between 823 and 973 K after tempering, the recovery of dislocations, the agglomeration of carbides, and the growth of martensite lath subgrains occurred. Intermetallic Fe2W Laves also precipitated in the δ-ferrite grains of the 9Cr-4W steel. The effect of W on dislocation recovery and precipitation behavior is discussed in detail.

Development of a High Chromium Ni-Base Filler Metal Resistant to Ductility Dip Cracking and Solidification Cracking

NASA Astrophysics Data System (ADS)

Hope, Adam T.

Many nuclear reactor components previously constructed with Ni-based alloys containing 20 wt% Cr have been found to be susceptible to stress corrosion cracking. The nuclear power industry now uses high chromium (˜30wt%) Ni-based filler metals to mitigate stress corrosion cracking. Current alloys are plagued with weldability issues, either solidification cracking or ductility dip cracking (DDC). Solidification cracking is related to solidification temperature range and the DDC is related to the fraction eutectic present in the microstructure. It was determined that an optimal alloy should have a solidification temperature range less than 150°C and at least 2% volume fraction eutectic. Due to the nature of the Nb rich eutectic that forms, it is difficult to avoid both cracking types simultaneously. Through computational modeling, alternative eutectic forming elements, Hf and Ta, have been identified as replacements for Nb in such alloys. Compositions have been optimized through a combination of computational and experimental techniques combined with a design of experiment methodology. Small buttons were melted using commercially pure materials in a copper hearth to obtain the desired compositions. These buttons were then subjected to a gas tungsten arc spot weld. A type C thermocouple was used to acquire the cooling history during the solidification process. The cooling curves were processed using Single Sensor Differential Thermal Analysis to determine the solidification temperature range, and indicator of solidification cracking susceptibility. Metallography was performed to determine the fraction eutectic present, an indicator of DDC resistance. The optimal level of Hf to resist cracking was found to be 0.25 wt%. The optimal level of Ta was found to be 4 wt%. gamma/MC type eutectics were found to form first in all Nb, Ta, and Hf-bearing compositions. Depending on Fe and Cr content, gamma/Laves eutectic was sometimes found in Nb and Ta-bearing compositions, while Hf-bearing compositions had gamma/Ni7Hf2 as the final eutectic to solidify. This study found that the extra Cr in the current generation alloys promotes the gamma/Laves phase eutectic, which expands the solidification temperature range and promotes solidification cracking. Both Ta-bearing and Hf-bearing eutectics were found to solidify at higher temperatures than Nb-bearing eutectics, leading to narrower solidification temperature ranges. Weldability testing on the optimized Ta-bearing compositions revealed good resistance to both DDC and solidification cracking. Unexpectedly, the optimized Hf-bearing compositions were quite susceptible to solidification cracking. This led to an investigation on the possible wetting effect of eutectics on solidification cracking susceptibly, and a theory on how wetting affects the solidification crack susceptibility and the volume fraction of eutectic needed for crack healing has been proposed. Alloys with eutectics that easily wet the grain boundaries have increased solidification crack susceptibility at low volume fraction eutectics, but as the fraction eutectic is increased, experience crack healing at relatively lower fraction eutectics than alloys with eutectics that don't wet as easily. Hf rich eutectics were found to wet grain boundaries significantly more than Nb rich eutectics. Additions of Mo were also found to increase the wetting of eutectics in Nb-bearing alloys.

Particle Simulations on Plasma and Dust Environment near Lunar Vertical Holes

NASA Astrophysics Data System (ADS)

Miyake, Y.; Funaki, Y.; Nishino, M. N.

2016-12-01

The Japanese lunar orbiter KAGUYA has revealed the existence of vertical holes on the Moon, which have spatial scales of tens of meters and are possible lava tube skylights. The hole structure has recently received particular attention, because the structure is regarded as evidence for past existence of underground lava flows. Furthermore, the holes have high potential as locations for constructing future lunar bases, because of fewer extra-lunar rays/particles and micrometeorites reaching the hole bottoms. In this sense, these holes are not only of significance in selenology, but are also interesting from the viewpoint of plasma environments. The dayside electrostatic environment near the lunar surface is governed by interactions among the solar wind plasma, photoelectrons, and the charged lunar surface, providing topologically complex boundaries to the plasma. Thus we applied three-dimensional, massively-parallelized, particle-in-cell simulations to the near-hole environment on the Moon. This year we have introduced a horizontal cavern opened at the vertical wall of the hole, assuming the presence of a subsurface lave tube. We will show some preliminary results on the surface potential and its nearly plasma environments. We also started to study the dynamics of submicron-sized charged dust grains around the distinctive landscape. We particularly focus on an effect of a stochastic charging process of such small dust grains. Because of their small surface areas, the dusts will get/lose one elementary charge infrequently, and thus charge amount owned by each dust should be a stochastic variable unlike a widely-known spacecraft charging process. We develop a numerical model of such a charging process, which will be embedded into the test particle analysis of the dust dynamics. We report some results from our simulations on the dust charging process and dynamics around the lunar hole.

Communities of Practice and Social Learning Systems: the Career of a Concept

NASA Astrophysics Data System (ADS)

Wenger, Etienne

The concept of community of practice was not born in the systems theory tradition. It has its roots in attempts to develop accounts of the social nature of human learning inspired by anthropology and social theory (Lave, 1988; Bourdieu, 1977; Giddens, 1984; Foucault, 1980; Vygotsky, 1978). But the concept of community of practice is well aligned with the perspective of systems traditions. A community of practice itself can be viewed as a simple social system. And a complex social system can be viewed as constituted by interrelated communities of practice. In this essay I first explore the systemic nature of the concept at these two levels. Then I use this foundation to look at the applications of the concept, some of its main critiques, and its potential for developing a social discipline of learning.

First principles and experimental study of the electronic structure and phase stability of bulk thallium bromide

NASA Astrophysics Data System (ADS)

Smith, Holland M.; Zhou, Yuzhi; Ciampi, Guido; Kim, Hadong; Cirignano, Leonard J.; Shah, Kanai S.; Haller, E. E.; Chrzan, D. C.

2013-08-01

We apply state-of-art first principle calculations to study the polymorphism and electronic structure of three previously reported phases of TlBr. The calculated band structures of NaCl-structure phase and orthorhombic-structure phase have different features than that of commonly observed CsCl-structure phase. We further interpret photoluminescence spectra based on our calculations. Several peaks close to calculated band gap values of the NaCl-structure phase and the orthorhombic-structure phase are found in unpolished TlBr samples.

Cascade Defect Evolution Processes: Comparison of Atomistic Methods

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

Xu, Haixuan; Stoller, Roger E; Osetskiy, Yury N

2013-11-01

Determining the defect evolution beyond the molecular dynamics (MD) time scale is critical in bridging the gap between atomistic simulations and experiments. The recently developed self-evolving atomistic kinetic Monte Carlo (SEAKMC) method provides new opportunities to simulate long-term defect evolution with MD-like fidelity. In this study, SEAKMC is applied to investigate the cascade defect evolution in bcc iron. First, the evolution of a vacancy rich region is simulated and compared with results obtained using autonomous basin climbing (ABC) +KMC and kinetic activation-relaxation technique (kART) simulations. Previously, it is found the results from kART are orders of magnitude faster than ABC+KMC.more » The results obtained from SEAKMC are similar to kART but the time predicted is about one order of magnitude faster than kART. The fidelity of SEAKMC is confirmed by statistically relevant MD simulations at multiple higher temperatures, which proves that the saddle point sampling is close to complete in SEAKMC. The second is the irradiation-induced formation of C15 Laves phase nano-size defect clusters. In contrast to previous studies, which claim the defects can grow by capturing self-interstitials, we found these highly stable clusters can transform to <111> glissile configuration on a much longer time scale. Finally, cascade-annealing simulations using SEAKMC is compared with traditional object KMC (OKMC) method. SEAKMC predicts substantially fewer surviving defects compared with OKMC. The possible origin of this difference is discussed and a possible way to improve the accuracy of OKMC based on SEAKMC results is outlined. These studies demonstrate the atomistic fidelity of SEAKMC in comparison with other on-the-fly KMC methods and provide new information on long-term defect evolution in iron.« less

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.

Structural-Phase Transformations of CuZn Alloy Under Thermal-Impact Cycling

NASA Astrophysics Data System (ADS)

Potekaev, A. I.; Chaplygina, A. A.; Kulagina, V. V.; Chaplygin, P. A.; Starostenkov, M. D.; Grinkevich, L. S.

2017-02-01

Using the Monte Carlo method, special features of structural - phase transformations in β-brass are investigated during thermal impact using thermal cycling as an example (a number of successive order - disorder and disorder - order phase transitions in the course of several heating - cooling cycles). It is shown that a unique hysteresis is observed after every heating and cooling cycle, whose presence indicates irreversibility of the processes, which suggests a difference in the structural - phase states both in the heating and cooling stages. A conclusion is drawn that the structural - phase transformations in the heating and cooling stages occur within different temperature intervals, where the thermodynamic stimuli of one or the other structural - phase state are low. This is also demonstrated both in the plots of configurational energy, long- and short-range order parameter, atomic structure variations, and structural - phase state distributions. Simultaneously, there coexist ordered and disordered phases and a certain collection of superstructure domains. This implies the presence of low - stability states in the vicinity of the order - disorder phase transition. The results of investigations demonstrate that the structural - phase transitions within two successive heating and cooling cycles at the same temperature are different in both stages. These changes, though not revolutionary, occur in every cycle and decrease with the increasing cycle number. In fact, the system undergoes training with a tendency towards a certain sequence of structural - phase states.

Phase Transition and Physical Properties of InS

NASA Astrophysics Data System (ADS)

Wang, Hai-Yan; Li, Xiao-Feng; Xu, Lei; Li, Xu-Sheng; Hu, Qian-Ku

2018-02-01

Using the crystal structure prediction method based on particle swarm optimization algorithm, three phases (Pnnm, C2/m and Pm-3m) for InS are predicted. The new phase Pm-3m of InS under high pressure is firstly reported in the work. The structural features and electronic structure under high pressure of InS are fully investigated. We predicted the stable ground-state structure of InS was the Pnnm phase and phase transformation of InS from Pnnm phase to Pm-3m phase is firstly found at the pressure of about 29.5 GPa. According to the calculated enthalpies of InS with four structures in the pressure range from 20 GPa to 45 GPa, we find the C2/m phase is a metastable phase. The calculated band gap value of about 2.08 eV for InS with Pnnm structure at 0 GPa agrees well with the experimental value. Moreover, the electronic structure suggests that the C2/m and Pm-3m phase are metallic phases. Supported by the National Natural Science Foundation of China under Grant Nos. 11404099, 11304140, 11147167 and Funds of Outstanding Youth of Henan Polytechnic University, China under Grant No. J2014-05

Managing a new collaborative entity in business organizations: understanding organizational communities of practice effectiveness.

PubMed

Kirkman, Bradley L; Mathieu, John E; Cordery, John L; Rosen, Benson; Kukenberger, Michael

2011-11-01

Companies worldwide are turning to organizational communities of practice (OCoPs) as vehicles to generate learning and enhance organizational performance. OCoPs are defined as groups of employees who share a concern, a set of problems, or a passion about a topic and who strengthen their knowledge and expertise by interacting on a consistent basis. To date, OCoP research has drawn almost exclusively from the community of practice (CoP) literature, even though the organizational form of CoPs shares attributes of traditional CoPs and of organizational teams. Drawing on Lave and Wenger's (1991) original theory of legitimate peripheral participation, we integrate theory and research from CoPs and organizational teams to develop and empirically examine a model of OCoP effectiveness that includes constructs such as leadership, empowerment, the structure of tasks, and OCoP relevance to organizational effectiveness. Using data from 32 OCoPs in a U.S.-based multinational mining and minerals processing firm, we found that external community leaders play an important role in enhancing OCoP empowerment, particularly to the extent that task interdependence is high. Empowerment, in turn, was positively related to OCoP effectiveness. We also found that OCoPs designated as "core" by the organization (e.g., working on critical issues) were more effective than those that were noncore. Task interdependence also was positively related to OCoP effectiveness. We provide scholars and practitioners with insights on how to effectively manage OCoPs in today's organizations. (c) 2011 APA, all rights reserved.

Structural phase transition in monolayer MoTe2 driven by electrostatic doping

NASA Astrophysics Data System (ADS)

Wang, Ying; Xiao, Jun; Zhu, Hanyu; Li, Yao; Alsaid, Yousif; Fong, King Yan; Zhou, Yao; Wang, Siqi; Shi, Wu; Wang, Yuan; Zettl, Alex; Reed, Evan J.; Zhang, Xiang

2017-10-01

Monolayers of transition-metal dichalcogenides (TMDs) exhibit numerous crystal phases with distinct structures, symmetries and physical properties. Exploring the physics of transitions between these different structural phases in two dimensions may provide a means of switching material properties, with implications for potential applications. Structural phase transitions in TMDs have so far been induced by thermal or chemical means; purely electrostatic control over crystal phases through electrostatic doping was recently proposed as a theoretical possibility, but has not yet been realized. Here we report the experimental demonstration of an electrostatic-doping-driven phase transition between the hexagonal and monoclinic phases of monolayer molybdenum ditelluride (MoTe2). We find that the phase transition shows a hysteretic loop in Raman spectra, and can be reversed by increasing or decreasing the gate voltage. We also combine second-harmonic generation spectroscopy with polarization-resolved Raman spectroscopy to show that the induced monoclinic phase preserves the crystal orientation of the original hexagonal phase. Moreover, this structural phase transition occurs simultaneously across the whole sample. This electrostatic-doping control of structural phase transition opens up new possibilities for developing phase-change devices based on atomically thin membranes.

Effect of heat input on the microstructure, residual stresses and corrosion resistance of 304L austenitic stainless steel weldments

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

Unnikrishnan, Rahul, E-mail: rahulunnikrishnannair@gmail.com; Idury, K.S.N. Satish, E-mail: satishidury@gmail.com; Ismail, T.P., E-mail: tpisma@gmail.com

Austenitic stainless steels are widely used in high performance pressure vessels, nuclear, chemical, process and medical industry due to their very good corrosion resistance and superior mechanical properties. However, austenitic stainless steels are prone to sensitization when subjected to higher temperatures (673 K to 1173 K) during the manufacturing process (e.g. welding) and/or certain applications (e.g. pressure vessels). During sensitization, chromium in the matrix precipitates out as carbides and intermetallic compounds (sigma, chi and Laves phases) decreasing the corrosion resistance and mechanical properties. In the present investigation, 304L austenitic stainless steel was subjected to different heat inputs by shielded metalmore » arc welding process using a standard 308L electrode. The microstructural developments were characterized by using optical microscopy and electron backscattered diffraction, while the residual stresses were measured by X-ray diffraction using the sin{sup 2}ψ method. It was observed that even at the highest heat input, shielded metal arc welding process does not result in significant precipitation of carbides or intermetallic phases. The ferrite content and grain size increased with increase in heat input. The grain size variation in the fusion zone/heat affected zone was not effectively captured by optical microscopy. This study shows that electron backscattered diffraction is necessary to bring out changes in the grain size quantitatively in the fusion zone/heat affected zone as it can consider twin boundaries as a part of grain in the calculation of grain size. The residual stresses were compressive in nature for the lowest heat input, while they were tensile at the highest heat input near the weld bead. The significant feature of the welded region and the base metal was the presence of a very strong texture. The texture in the heat affected zone was almost random. - Highlights: • Effect of heat input on microstructure, residual stresses and corrosion is studied. • HAZ and width of dendrite in the welded region increase with heat input. • Residual stresses are tensile near the welded region after the highest heat input. • Welded region has the highest pit density after highest heat input. • Dendrites and δ-ferrite were highly oriented in the welded region.« less

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

Bulk metallic glass matrix composites: Processing, microstructure, and application as a kinetic energy penetrator

NASA Astrophysics Data System (ADS)

Dandliker, Richard B.

The development of alloys with high glass forming ability allows fabrication of bulk samples of amorphous metal. This capability makes these materials available for applications which require significant material thickness in all three dimensions. Superior mechanical properties and advantages in processing make metallic glass a choice candidate as a matrix material for composites. This study reports techniques for making composites by melt-infiltration casting using the alloy Zrsb{41.2}Tisb{13.8}Cusb{12.5}Nisb{10.0}Besb{22.5} (VitreloyspTM 1) as a matrix material. Composite rods 5 cm in length and 7 mm in diameter were made and found to have a nearly fully amorphous matrix; there was less than 3 volume percent crystallized matrix material. The samples were reinforced by continuous metal wires, tungsten powder, or silicon carbide particulate preforms. The most easily processed samples were made with uniaxially aligned tungsten and carbon steel continuous wire reinforcement; the majority of the analysis presented is of these samples. The measured porosity was typically less than 3%. The results also indicate necessary guidelines for developing processing techniques for large scale production, new reinforcement materials, and other metallic glass compositions. Analysis of the microstructure of the tungsten wire and steel wire reinforced composites was performed by x-ray diffraction, scanning electron microscopy, scanning Auger microscopy, transmission electron microscopy, and energy dispersive x-ray spectroscopy. The most common phase in the crystallized matrix is most likely a Laves phase with the approximate formula Besb{12}Zrsb3TiNiCu. In tungsten-reinforced composites, a crystalline reaction layer 240 nm thick of tungsten nanocrystals in an amorphous matrix formed. In the steel reinforced composites, the reaction layer was primarily composed of a mixed metal carbide, mainly ZrC. One promising application of the metallic glass matrix composite is as a kinetic energy penetrator material. Ballistic tests show that a composite of 80 volume percent uniaxially aligned tungsten wires and a VitreloyspTM 1 matrix has self-sharpening behavior, which is a necessary characteristic of superior penetrator materials. Small-scale tests with both aluminum and steel targets show that this composite performs better than tungsten heavy alloys typically used for penetrator applications, and comparably with depleted uranium.

Grain size dependent phase stabilities and presence of a monoclinic (Pm) phase in the morphotropic phase boundary region of (1-x)Bi(Mg1/2Ti1/2)O3-xPbTiO3 piezoceramics

NASA Astrophysics Data System (ADS)

Upadhyay, Ashutosh; Singh, Akhilesh Kumar

2015-04-01

Results of the room temperature structural studies on (1-x)Bi(Mg1/2Ti1/2)O3-xPbTiO3 ceramics using Rietveld analysis of the powder x-ray diffraction data in the composition range 0.28 ≤ x ≤ 0.45 are presented. The morphotropic phase boundary region exhibits coexistence of monoclinic (space group Pm) and tetragonal (space group P4 mm) phases in the composition range 0.33 ≤ x ≤ 0.40. The structure is nearly single phase monoclinic (space group Pm) in the composition range 0.28 ≤ x ≤ 0.32. The structure for the compositions with x ≥ 0.45 is found to be predominantly tetragonal with space group P4 mm. Rietveld refinement of the structure rules out the coexistence of rhombohedral and tetragonal phases in the morphotropic phase boundary region reported by earlier authors. The Rietveld structure analysis for the sample x = .35 calcined at various temperatures reveals that phase fraction of the coexisting phases in the morphotropic phase boundary region varies with grain size. The structural parameters of the two coexisting phases also change slightly with changing grain size.

Pressure-induced structural phase transformation and superconducting properties of titanium mononitride

NASA Astrophysics Data System (ADS)

Li, Qian; Guo, Yanan; Zhang, Miao; Ge, Xinlei

2018-03-01

In this work, we have systematically performed the first-principles structure search on titanium mononitride (TiN) within Crystal Structure AnaLYsis by Particle Swarm Optimization (CALYPSO) methodology at high pressures. Here, we have confirmed a phase transition from cubic rock-salt (fcc) phase to CsCl (bcc) phase of TiN at ∼348 GPa. Further simulations reveal that the bcc phase is dynamically stable, and could be synthesized experimentally in principle. The calculated elastic anisotropy decreases with the phase transformation from fcc to bcc structure under high pressures, and the material changes from ductile to brittle simultaneously. Moreover, we found that both structures are superconductive with the superconducting critical temperature of 2-12 K.

Temperature-driven topological quantum phase transitions in a phase-change material Ge2Sb2Te5.

PubMed

Eremeev, S V; Rusinov, I P; Echenique, P M; Chulkov, E V

2016-12-13

The Ge 2 Sb 2 Te 5 is a phase-change material widely used in optical memory devices and is a leading candidate for next generation non-volatile random access memory devices which are key elements of various electronics and portable systems. Despite the compound is under intense investigation its electronic structure is currently not fully understood. The present work sheds new light on the electronic structure of the Ge 2 Sb 2 Te 5 crystalline phases. We demonstrate by predicting from first-principles calculations that stable crystal structures of Ge 2 Sb 2 Te 5 possess different topological quantum phases: a topological insulator phase is realized in low-temperature structure and Weyl semimetal phase is a characteristic of the high-temperature structure. Since the structural phase transitions are caused by the temperature the switching between different topologically non-trivial phases can be driven by variation of the temperature. The obtained results reveal the rich physics of the Ge 2 Sb 2 Te 5 compound and open previously unexplored possibility for spintronics applications of this material, substantially expanding its application potential.

Using a plenoptic sensor to reconstruct vortex phase structures.

PubMed

Wu, Chensheng; Ko, Jonathan; Davis, Christopher C

2016-07-15

A branch point problem and its solution commonly involve recognizing and reconstructing a vortex phase structure around a singular point. In laser beam propagation through random media, the destructive phase contributions from various parts of a vortex phase structure will cause a dark area in the center of the beam's intensity profile. This null of intensity can, in turn, prevent the vortex phase structure from being recognized. In this Letter, we show how to use a plenoptic sensor to transform the light field of a vortex beam so that a simple and direct reconstruction algorithm can be applied to reveal the vortex phase structure. As a result, we show that the plenoptic sensor is effective in detecting branch points and can be used to reconstruct phase distortion in a beam in a wide sense.

Theoretical calculations of high-pressure phases of NiF2: An ab initio constant-pressure study

NASA Astrophysics Data System (ADS)

Kürkçü, Cihan; Merdan, Ziya; Öztürk, Hülya

2016-12-01

We have studied the structural properties of the antiferromagnetic NiF2 tetragonal structure with P42/ mnm symmetry using density functional theory (DFT) under rapid hydrostatic pressure up to 400 GPa. For the exchange correlation energy we used the local density approximation (LDA) of Ceperley and Alder (CA). Two phase transformations are successfully observed through the simulations. The structures of XF2-type compounds crystallize in rutile-type structure. NiF2 undergoes phase transformations from the tetragonal rutile-type structure with space group P42/ mnm to orthorhombic CaCl2-type structure with space group Pnnm and from this orthorhombic phase to monoclinic structure with space group C2/ m at 152 GPa and 360 GPa, respectively. These phase changes are also studied by total energy and enthalpy calculations. According to these calculations, we perdict these phase transformations at about 1.85 and 30 GPa.

First principles study of structural stability, electronic structure and mechanical properties of ReN and TcN

NASA Astrophysics Data System (ADS)

Rajeswarapalanichamy, R.; Kavitha, M.; Sudha Priyanga, G.; Iyakutti, K.

2015-03-01

The crystal structure, structural stability, electronic and mechanical properties of ReN and TcN are investigated using first principles calculations. We have considered five different crystal structures: NaCl, zinc blende (ZB), NiAs, tungsten carbide (WC) and wurtzite (WZ). Among these ZB phase is found to be the lowest energy phase for ReN and TcN at normal pressure. Pressure induced structural phase transitions from ZB to WZ phase at 214 GPa in ReN and ZB to NiAs phase at 171 GPa in TcN are predicted. The electronic structure reveals that both ReN and TcN are metallic in nature. The computed elastic constants indicate that both the nitrides are mechanically stable. As ReN in NiAs phase has high bulk and shear moduli and low Poisson's ratio, it is found to be a potential ultra incompressible super hard material.

Crystal structures and infrared spectra of two Fe-bearing hydrous magnesium silicates synthesized at high temperature and pressure

NASA Technical Reports Server (NTRS)

Yang, H.; Prewitt, C. T.; Liu, Z.

2002-01-01

The synthesis and characterization of Fe-bearing phase E and phase E' demonstrate that the phase E-type structures can be rather compliant and complex, and that as we further explore the temperature-pressure-composition space, other types of structures that are similar to or related to the structure of phase E may be discovered.

Transformation of BCC and B2 High Temperature Phases to HCP and Orthorhombic Structures in the Ti-Al-Nb System. Part II: Experimental TEM Study of Microstructures

PubMed Central

Bendersky, L. A.; Boettinger, W. J.

1993-01-01

Possible transformation paths that involve no long range diffusion and their corresponding microstructural details were predicted by Bendersky, Roytburd, and Boettinger [J. Res. Natl. Inst. Stand. Technol. 98, 561 (1993)] for Ti-Al-Nb alloys cooled from the high temperature BCC/B2 phase field into close-packed orthorhombic or hexagonal phase fields. These predictions were based on structural and symmetry relations between the known phases. In the present paper experimental TEM results show that two of the predicted transformation paths are indeed followed for different alloy compositions. For Ti-25Al-12.5Nb (at%), the path includes the formation of intermediate hexagonal phases, A3 and DO19, and subsequent formation of a metastable domain structure of the low-temperature O phase. For alloys close to Ti-25Al-25Nb (at%), the path involves an intermediate B19 structure and subsequent formation of a translational domain structure of the O phase. The path selection depends on whether B2 order forms in the high temperature cubic phase prior to transformation to the close-packed structure. The paper also analyzes the formation of a two-phase modulated microstructure during long term annealing at 700 °C. The structure forms by congruent ordering of the DO19 phase to the O phase, and then reprecipitation of the DO19 phase, possibly by a spinodal mechanism. The thermodynamics underlying the path selection and the two-phase formation are also discussed. PMID:28053488

Structures of two intermediate phases between the B1 and B2 phases of PbS under high pressure

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

Li, Yanchun, E-mail: liyc@ihep.ac.cn, E-mail: liuj@ihep.ac.cn; Lin, Chuanlong; Li, Xiaodong

2014-12-15

The structural transitions of PbS were investigated at pressures up to 50 GPa using synchrotron powder and single crystal X-ray diffraction (XRD) methods in diamond anvil cells. We found two intermediate phases between the B1 phase under atmospheric pressure and the B2 phase at 21.1 GPa, which is different to previous reports. The structures of these two intermediate phases were indexed as B27 and B33, respectively. Their structural parameters were investigated using density functional theory (DFT) calculations. Our results provide a new insight into understanding the transition pathway between the B1 and B2 phases in PbS.

Comparison of Vehicle Choice Models

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

Stephens, Thomas S.; Levinson, Rebecca S.; Brooker, Aaron

Five consumer vehicle choice models that give projections of future sales shares of light-duty vehicles were compared by running each model using the same inputs, where possible, for two scenarios. The five models compared — LVCFlex, MA3T, LAVE-Trans, ParaChoice, and ADOPT — have been used in support of the Energy Efficiency and Renewable Energy (EERE) Vehicle Technologies Office in analyses of future light-duty vehicle markets under different assumptions about future vehicle technologies and market conditions. The models give projections of sales shares by powertrain technology. Projections made using common, but not identical, inputs showed qualitative agreement, with the exception ofmore » ADOPT. ADOPT estimated somewhat lower advanced vehicle shares, mostly composed of hybrid electric vehicles. Other models projected large shares of multiple advanced vehicle powertrains. Projections of models differed in significant ways, including how different technologies penetrated cars and light trucks. Since the models are constructed differently and take different inputs, not all inputs were identical, but were the same or very similar where possible.« less

An exploration of the assessment experiences of new academics as they engage with a community of practice in higher education.

PubMed

Garrow, Amanda; Tawse, Stephen

2009-08-01

This paper considers a phenomenological research study that attempted to explore how new academics were introduced to the assessment process within a Higher Education context. Two key educational perspectives have shaped the interpretation of the studies findings. These are Nonaka and Takeuchi's [Nonaka, I., Takeuchi, H., 1995. The Knowledge Creating Company: How Japanese Companies Create the Dynamics of Innovation. Oxford University Press, New York] model of knowledge conversion and Lave and Wenger's work on communities of practice (1991, 2002). Three key findings emerged from this work. Firstly, the study highlights a number of issues relating to the types of support and guidance that new academics receive. These were divided into formal and informal types that either promoted conformity or facilitated challenge. Secondly, the study suggests that the ways in which experienced academic staff communicate their assessment knowledge and interact with new academics may require further consideration. Finally, the study raises questions about the type of academic that the organisation would wish to develop.

Actinic imaging and evaluation of phase structures on EUV lithography masks

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

Mochi, Iacopo; Goldberg, Kenneth; Huh, Sungmin

2010-09-28

The authors describe the implementation of a phase-retrieval algorithm to reconstruct phase and complex amplitude of structures on EUV lithography masks. Many native defects commonly found on EUV reticles are difficult to detect and review accurately because they have a strong phase component. Understanding the complex amplitude of mask features is essential for predictive modeling of defect printability and defect repair. Besides printing in a stepper, the most accurate way to characterize such defects is with actinic inspection, performed at the design, EUV wavelength. Phase defect and phase structures show a distinct through-focus behavior that enables qualitative evaluation of themore » object phase from two or more high-resolution intensity measurements. For the first time, phase of structures and defects on EUV masks were quantitatively reconstructed based on aerial image measurements, using a modified version of a phase-retrieval algorithm developed to test optical phase shifting reticles.« less

High-pressure phase transitions of nitinol NiTi to a semiconductor with an unusual topological structure

NASA Astrophysics Data System (ADS)

Liu, Guangtao; Liu, Hanyu; Feng, Xiaolei; Redfern, Simon A. T.

2018-04-01

Systematic ab initio structure simulations have been used to explore the high-pressure behavior of nitinol (NiTi) at zero temperature. Our crystal structure prediction and first-principles calculations reveal that the known B 19 phase is dynamically unstable, and an orthorhombic structure (Pbcm) and a face-centered-cubic B 32 structure (F d 3 ¯m ) become stable above ˜4 and 29 GPa, respectively. The predicted, highest-pressure, B 32 phase is composed of two interpenetrating diamond structures, with a structural topology that is quite distinct from that of the other phases of NiTi. Interestingly, the B 32 phase shows an unusual semiconducting characteristic as a result of its unique band structure and the nature of 3 d orbitals localization, whose expected synthesis pressure is accessible to current experimental techniques.

Microstructure and phase composition characterization in a Co{sub 38}Ni{sub 33}Al{sub 29} ferromagnetic shape memory alloy

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

Lu, J.B.

2016-08-15

Transmission electron microscopy was performed to investigate the microstructures of a secondary phase and its surrounding matrix in a Co{sub 38}Ni{sub 33}Al{sub 29} ferromagnetic shape memory alloy. The secondary phase shows a γ′ L1{sub 2} structure exhibiting a dendritic morphology with enclosed B2 austenite regions while the matrix shows the L1{sub 0} martensitic structure. A secondary phase-austenite-martensite sandwich structure with residual austenite ranging from several hundred nanometers to several micrometers wide is observed at the secondary phase-martensite interface due to the depletion of Co and enrichment of Al in the chemical gradient zone and the effect of the strong martensiticmore » start temperature dependency of the element concentrations. The crystallographic orientation relationship of the secondary phase and the B2 austenite fits the Kurdjumov-Sachs relationship. - Highlights: •The secondary phase has a γ′ L1{sub 2} structure exhibiting a dendritic morphology. •A secondary phase-austenite-martensite sandwich structure is observed. •The structural sandwich structure is due to elemental composition variation. •The secondary phase and the B2 austenite fit the Kurdjumov-Sachs relationship.« less

Cholesterol-Induced Formation of Liquid Ordered Phase-Like Structures in Non-Phospholipid Systems.

PubMed

Konno, Yoshikazu; Yoshimura, Akio; Naito, Noboru; Aramaki, Kenji

2018-01-01

The formation of liquid ordered (L o ) phase-like structures in stearyltrimethylammonium chloride/cholesterol/1,3-butanediol/water and hepta(oxyethylen) octadecyl ether/cholesterol/1,3-butanediol/water systems was investigated. Differential scanning calorimetry and X-ray scattering measurements confirmed that L o phase-like structures were formed in both surfactant/cholesterol systems, similar to the lysophospholipid/cholesterol system. It was revealed that the concentration of cholesterol at which only L o phase-like structures are formed increases in the order stearyltrimethylammonium chloride < lysophospholipid < hepta(oxyethylen) octadecyl ether. In addition, for both surfactants, the interlayer spacing, d, was larger for L o phase-like structures than for α-gel structures. These results suggest that the ionicity and structure of the hydrophilic group of each surfactant play important roles.

Pressure-Induced Structural Phase Transition in CeNi: X-ray and Neutron Scattering Studies and First-Principles Calculations

DOE PAGES

Mirmelstein, A.; Podlesnyak, Andrey A.; dos Santos, Antonio M.; ...

2015-08-03

The pressure-induced structural phase transition in the intermediate-valence compound CeNi has been investigated by x-ray and neutron powder diffraction techniques. It is shown that the structure of the pressure-induced CeNi phase (phases) can be described in terms of the Pnma space group. Equations of state for CeNi on both sides of the phase transition are derived and an approximate P-T phase diagram is suggested for P<8 GPa and T<300 K. The observed Cmcm→Pnma structural transition is then analyzed using density functional theory calculations, which successfully reproduce the ground state volume, the phase transition pressure, and the volume collapse associated withmore » the phase transition.« less

Revealing the hidden structural phases of FeRh

NASA Astrophysics Data System (ADS)

Kim, Jinwoong; Ramesh, R.; Kioussis, Nicholas

2016-11-01

Ab initio electronic structure calculations reveal that tetragonal distortion has a dramatic effect on the relative stability of the various magnetic structures (C-, A-, G-, A'-AFM, and FM) of FeRh giving rise to a wide range of novel stable/metastable structures and magnetic phase transitions between these states. We predict that the cubic G-AFM structure, which was believed thus far to be the ground state, is metastable and that the tetragonally expanded G-AFM is the stable structure. The low energy barrier separating these states suggests phase coexistence at room temperature. We propose an A'-AFM phase to be the global ground state among all magnetic phases which arises from the strain-induced tuning of the exchange interactions. The results elucidate the underlying mechanism for the recent experimental findings of electric-field control of magnetic phase transition driven via tetragonal strain. The magnetic phase transitions open interesting prospects for exploiting strain engineering for the next-generation memory devices.

High temperature deformation behavior, thermal stability and irradiation performance in Grade 92 steel

NASA Astrophysics Data System (ADS)

Alsagabi, Sultan

The 9Cr-2W ferritic-martensitic steel (i.e. Grade 92 steel) possesses excellent mechanical and thermophysical properties; therefore, it has been considered to suit more challenging applications where high temperature strength and creep-rupture properties are required. The high temperature deformation mechanism was investigated through a set of tensile testing at elevated temperatures. Hence, the threshold stress concept was applied to elucidate the operating high temperature deformation mechanism. It was identified as the high temperature climb of edge dislocations due to the particle-dislocation interactions and the appropriate constitutive equation was developed. In addition, the microstructural evolution at room and elevated temperatures was investigated. For instance, the microstructural evolution under loading was more pronounced and carbide precipitation showed more coarsening tendency. The growth of these carbide precipitates, by removing W and Mo from matrix, significantly deteriorates the solid solution strengthening. The MX type carbonitrides exhibited better coarsening resistance. To better understand the thermal microstructural stability, long tempering schedules up to 1000 hours was conducted at 560, 660 and 760°C after normalizing the steel. Still, the coarsening rate of M23C 6 carbides was higher than the MX-type particles. Moreover, the Laves phase particles were detected after tempering the steel for long periods before they dissolve back into the matrix at high temperature (i.e. 720°C). The influence of the tempering temperature and time was studied for Grade 92 steel via Hollomon-Jaffe parameter. Finally, the irradiation performance of Grade 92 steel was evaluated to examine the feasibility of its eventual reactor use. To that end, Grade 92 steel was irradiated with iron (Fe2+) ions to 10, 50 and 100 dpa at 30 and 500°C. Overall, the irradiated samples showed some irradiation-induced hardening which was more noticeable at 30°C. Additionally, irradiation-induced defect clusters and dislocation loops were observed and the irradiated samples did not show any bubble or void.

Online monitoring of thermo-cycles and its correlation with microstructure in laser cladding of nickel based super alloy

NASA Astrophysics Data System (ADS)

Muvvala, Gopinath; Patra Karmakar, Debapriya; Nath, Ashish Kumar

2017-01-01

Laser cladding, basically a weld deposition technique, is finding applications in many areas including surface coatings, refurbishment of worn out components and generation of functionally graded components owing to its various advantages over conventional methods like TIG, PTA etc. One of the essential requirements to adopt this technique in industrial manufacturing is to fulfil the increasing demand on product quality which could be controlled through online process monitoring and correlating the signals with the mechanical and metallurgical properties. Rapid thermo-cycle i.e. the fast heating and cooling rates involved in this process affect above properties of the deposited layer to a great extent. Therefore, the current study aims to monitor the thermo-cycles online, understand its variation with process parameters and its effect on different quality aspects of the clad layer, like microstructure, elemental segregations and mechanical properties. The effect of process parameters on clad track geometry is also studied which helps in their judicious selection to deposit a predefined thickness of coating. In this study Inconel 718, a nickel based super alloy is used as a clad material and AISI 304 austenitic steel as a substrate material. The thermo-cycles during the cladding process were recorded using a single spot monochromatic pyrometer. The heating and cooling rates were estimated from the recorded thermo-cycles and its effects on microstructures were characterised using SEM and XRD analyses. Slow thermo-cycles resulted in severe elemental segregations favouring Laves phase formation and increased γ matrix size which is found to be detrimental to the mechanical properties. Slow cooling also resulted in termination of epitaxial growth, forming equiaxed grains near the surface, which is not preferred for single crystal growth. Heat treatment is carried out and the effect of slow cooling and the increased γ matrix size on dissolution of segregated elements in metal matrix is studied.

Bi-Metallic Composite Structures With Designed Internal Residual Stress Field

NASA Technical Reports Server (NTRS)

Brice, Craig A.

2014-01-01

Shape memory alloys (SMA) have a unique ability to recover small amounts of plastic strain through a temperature induced phase change. For these materials, mechanical displacement can be accomplished by heating the structure to induce a phase change, through which some of the plastic strain previously introduced to the structure can be reversed. This paper introduces a concept whereby an SMA phase is incorporated into a conventional alloy matrix in a co-continuous reticulated arrangement forming a bi-metallic composite structure. Through memory activation of the mechanically constrained SMA phase, a controlled residual stress field is developed in the interior of the structure. The presented experimental data show that the memory activation of the SMA composite component significantly changes the residual stress distribution in the overall structure. Designing the structural arrangement of the two phases to produce a controlled residual stress field could be used to create structures that have much improved durability and damage tolerance properties.

Phase transitions, mechanical properties and electronic structures of novel boron phases under high-pressure: A first-principles study

PubMed Central

Fan, Changzeng; Li, Jian; Wang, Limin

2014-01-01

We have explored the mechanical properties, electronic structures and phase transition behaviors of three designed new phases for element boron from ambient condition to high-pressure of 120 GPa including (1) a C2/c symmetric structure (m-B16); (2) a symmetric structure (c-B56) and (3) a Pmna symmetric structure (o-B24). The calculation of the elastic constants and phonon dispersions shows that the phases are of mechanical and dynamic stability. The m-B16 phase is found to transform into another new phase (the o-B16 phase) when pressure exceeds 68 GPa. This might offer a new synthesis strategy for o-B16 from the metastable m-B16 at low temperature under high pressure, bypassing the thermodynamically stable γ-B28. The enthalpies of the c-B56 and o-B24 phases are observed to increase with pressure. The hardness of m-B16 and o-B16 is calculated to be about 56 GPa and 61 GPa, approaching to the highest value of 61 GPa recorded for α-Ga-B among all available Boron phases. The electronic structures and bonding characters are analyzed according to the difference charge-density and crystal orbital Hamilton population (COHP), revealing the metallic nature of the three phases. PMID:25345910

Low temperature structural and transport studies of La{sub 0.175}Pr{sub 0.45}Ca{sub 0.375}MnO{sub 3-δ}

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

Sharma, Shivani; Shahee, Aga; Singh, Kiran

2016-05-23

The temperature (T) dependent x-ray diffraction (XRD) and resistivity measurements of La{sub 0.175}Pr{sub 0.45}Ca{sub 0.375}MnO{sub 3-δ} (LPCMO) have been performed down to 2 K to understand the structural and transport properties. From room temperature down to 220 K, LPCMO exists in orthorhombic phase with Pnma structure and at T~220 K, it transforms to charge ordered (CO) monoclinic phase with P2{sub 1}/m structure and remains as it is down to 2 K. The CO phase is evident from the occurrence of weak but well defined superlattice peaks in the XRD pattern. This structural transformation is of first order in nature asmore » evident from the phase coexistence across the transition region. These results thus clearly illustrate that LPCMO undergoes a first order structural phase transition from charge disordered orthorhombic phase to CO monoclinic phase at ~220 K, consistent with temperature dependent resistivity results. Our structural analysis of T dependent XRD data using Rietveld refinement infers that below 220 K, LPCMO forms commensurate CO monoclinic P2{sub 1}/m structure with four times structural modulation.« less

High-pressure crystal structures of an insensitive energetic crystal: 1,1-diamino-2,2-dinitroethene

DOE PAGES

Dreger, Zbigniew A.; Stash, Adam I.; Yu, Zhi -Gang; ...

2015-12-03

Understanding the insensitivity/stability of insensitive high explosive crystals requires detailed structural information at high pressures and high temperatures of interest. Synchrotron single crystal x-ray diffraction experiments were used to determine the high-pressure structures of 1,1-diamino-2,2-dinitroethene (FOX-7), a prototypical insensitive high explosive. The phase transition around 4.5 GPa was investigated and the structures were determined at 4.27 GPa (α’-phase) and 5.9 GPa (ε-phase). The α’-phase (monoclinic, P2 1/ n), structurally indistinguishable from the ambient α-phase, transforms to the new ε-phase (triclinic, P1). The most notable features of the ε-phase, compared to the α’-phase, are: formation of planar layers and flattening ofmore » molecules. Density functional theory (DFT-D2) calculations complemented the experimental results. Furthermore, the results presented here are important for understanding the molecular and crystalline attributes governing the high-pressure insensitivity/stability of insensitive high explosive crystals.« less

Heliconical smectic phases formed by achiral molecules

DOE PAGES

Abberley, Jordan P.; Killah, Ross; Walker, Rebecca; ...

2018-01-15

Chiral symmetry breaking in soft matter is a hot topic of current research. Recently, such a phenomenon was found in a fluidic phase showing orientational order of molecules - the nematic phase; although built of achiral molecules, the phase can exhibit structural chirality - average molecular direction follows a short-pitch helix. Here in this paper, we report a series of achiral asymmetric dimers with an odd number of atoms in the spacer, which form twisted structures in nematic as well as in lamellar phases. The tight pitch heliconical nematic (N TB) phase and heliconical tilted smectic C (SmC TB) phasemore » are formed. The formation of a variety of helical structures is accompanied by a gradual freezing of molecular rotation. In the lowest temperature smectic phase, HexI, the twist is expressed through the formation of hierarchical structure: nanoscale helices and mesoscopic helical filaments. The short-pitch helical structure in the smectic phases is confirmed by resonant X-ray measurements.« less

Heliconical smectic phases formed by achiral molecules

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

Abberley, Jordan P.; Killah, Ross; Walker, Rebecca

Chiral symmetry breaking in soft matter is a hot topic of current research. Recently, such a phenomenon was found in a fluidic phase showing orientational order of molecules - the nematic phase; although built of achiral molecules, the phase can exhibit structural chirality - average molecular direction follows a short-pitch helix. Here in this paper, we report a series of achiral asymmetric dimers with an odd number of atoms in the spacer, which form twisted structures in nematic as well as in lamellar phases. The tight pitch heliconical nematic (N TB) phase and heliconical tilted smectic C (SmC TB) phasemore » are formed. The formation of a variety of helical structures is accompanied by a gradual freezing of molecular rotation. In the lowest temperature smectic phase, HexI, the twist is expressed through the formation of hierarchical structure: nanoscale helices and mesoscopic helical filaments. The short-pitch helical structure in the smectic phases is confirmed by resonant X-ray measurements.« less

High-pressure crystal structures of an insensitive energetic crystal: 1,1-diamino-2,2-dinitroethene

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

Dreger, Zbigniew A.; Stash, Adam I.; Yu, Zhi -Gang

Understanding the insensitivity/stability of insensitive high explosive crystals requires detailed structural information at high pressures and high temperatures of interest. Synchrotron single crystal x-ray diffraction experiments were used to determine the high-pressure structures of 1,1-diamino-2,2-dinitroethene (FOX-7), a prototypical insensitive high explosive. The phase transition around 4.5 GPa was investigated and the structures were determined at 4.27 GPa (α’-phase) and 5.9 GPa (ε-phase). The α’-phase (monoclinic, P2 1/ n), structurally indistinguishable from the ambient α-phase, transforms to the new ε-phase (triclinic, P1). The most notable features of the ε-phase, compared to the α’-phase, are: formation of planar layers and flattening ofmore » molecules. Density functional theory (DFT-D2) calculations complemented the experimental results. Furthermore, the results presented here are important for understanding the molecular and crystalline attributes governing the high-pressure insensitivity/stability of insensitive high explosive crystals.« less

Grain size dependent phase stabilities and presence of a monoclinic (Pm) phase in the morphotropic phase boundary region of (1−x)Bi(Mg{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} piezoceramics

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

Upadhyay, Ashutosh; Singh, Akhilesh Kumar, E-mail: akhilesh-bhu@yahoo.com, E-mail: aksingh.mst@itbhu.ac.in

2015-04-14

Results of the room temperature structural studies on (1−x)Bi(Mg{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} ceramics using Rietveld analysis of the powder x-ray diffraction data in the composition range 0.28 ≤ x ≤ 0.45 are presented. The morphotropic phase boundary region exhibits coexistence of monoclinic (space group Pm) and tetragonal (space group P4 mm) phases in the composition range 0.33 ≤ x ≤ 0.40. The structure is nearly single phase monoclinic (space group Pm) in the composition range 0.28 ≤ x ≤ 0.32. The structure for the compositions with x ≥ 0.45 is found to be predominantly tetragonal with space group P4 mm. Rietveld refinement of the structure rules out the coexistence of rhombohedral and tetragonal phases inmore » the morphotropic phase boundary region reported by earlier authors. The Rietveld structure analysis for the sample x = .35 calcined at various temperatures reveals that phase fraction of the coexisting phases in the morphotropic phase boundary region varies with grain size. The structural parameters of the two coexisting phases also change slightly with changing grain size.« less

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

Tucker, Eric; Boreman, Glenn, E-mail: gboreman@uncc.edu; D'Archangel, Jeffrey

Near- and far-field measurements of phase-ramped loop and patch structures are presented and compared to simulations. The far-field deflection measurements show that the phase-ramped structures can deflect a beam away from specular reflection, consistent with simulations. Scattering scanning near-field optical microscopy of the elements comprising the phase ramped structures reveals part of the underlying near-field phase contribution that dictates the far-field deflection, which correlates with the far-field phase behavior that was expected. These measurements provide insight into the resonances, coupling, and spatial phase variation among phase-ramped frequency selective surface (FSS) elements, which are important for the performance of FSS reflectarrays.

Identification and properties of the non-cubic phases of Mg 2Pb

DOE PAGES

Li, Yuwei; Bian, Guang; Singh, David J.

2016-12-20

Mg 2Pb occurs in the cubic fluorite structure and is a semimetal with a band structure strongly affected by spin-orbit interaction on the Pb p states. Its properties are therefore of interest in the context of topological materials. In addition a different phase of Mg 2Pb was experimentally reported, but its crystal structure and properties remain unknown. Here we determine the structure of this phase using ab initio evolutionary methods and report its properties. The energy of one tetragonal phase, space group P4/ nmm, is 2 meV per atom higher than that of the ground state structure supporting the experimentalmore » observation. We find this tetragonal phase to be a compenstated anisotropic metal with strong spin orbit effects. As a result, many other metastable structures have also been identified, especially one orthorhombic structure, space group Pnma, of which energy is 17 meV per atom higher than that of ground state structure and which perhaps could be the phase that was reported based on similarity of lattice parameters.« less

Quantum size effects in the size-temperature phase diagram of gallium: structural characterization of shape-shifting clusters.

PubMed

Steenbergen, Krista G; Gaston, Nicola

2015-02-09

Finite temperature analysis of cluster structures is used to identify signatures of the low-temperature polymorphs of gallium, based on the results of first-principle Born-Oppenheimer molecular dynamics simulations. Pre-melting structural transitions proceed from either the β- and/or the δ-phase to the γ- or δ-phase, with a size- dependent phase progression. We relate the stability of each isomer to the electronic structures of the different phases, giving new insight into the origin of polymorphism in this complicated element. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Design, analysis, and testing of the Phase 1 CSI Evolutionary Model erectable truss

NASA Technical Reports Server (NTRS)

Gronet, M. J.; Davis, D. A.; Kintis, D. H.; Brillhart, R. D.; Atkins, E. M.

1992-01-01

This report addressed the design, analysis, and testing of the erectable truss structure for the Phase 1 CSI Evolutionary Model (CEM) testbed. The Phase 1 CEM testbed is the second testbed to form part of an ongoing program of focused research at NASA/LaRC in the development of Controls-Structures Integration (CSI) technology. The Phase 1 CEM contains the same overall geometry, weight, and sensor locations as the Phase 0 CEM, but is based in an integrated controller and structure design, whereby both structure and controller design variables are sized simultaneously. The Phase 1 CEM design features seven truss sections composed of struts with tailored mass and stiffness properties. A common erectable joint is used and the strut stiffness is tailored by varying the cross-sectional area. To characterize the structure, static tests were conducted on individual struts and 10-bay truss assemblies. Dynamic tests were conducted on 10-bay truss assemblies as well as the fully-assembled CEM truss. The results indicate that the static and dynamic properties of the structure are predictable, well-characterized, and within the performance requirements established during the Phase 1 CEM integrated controller/structure design analysis.

Exploring the relevance of gas-phase structures to biology: cold ion spectroscopy of the decapeptide neurokinin A.

PubMed

Pereverzev, A Y; Boyarkin, O V

2017-02-01

Linking the intrinsic tertiary structures of biomolecules to their native geometries is a central prerequisite for making gas-phase studies directly relevant to biology. The isolation of molecules in the gas phase eliminates hydrophilic interactions with solvents, to some extent mimicking a hydrophobic environment. Intrinsic structures therefore may resemble native ones for peptides that in vivo reside in a hydrophobic environment (e.g., binding pockets of receptors). In this study, we investigate doubly protonated neurokinin A (NKA) using IR-UV double resonance cold ion spectroscopy and find only five conformers of this decapeptide in the gas phase. In contrast, NMR data show that in aqueous solutions, NKA exhibits high conformational heterogeneity, which reduces to a few well-defined structures in hydrophobic micelles. Do the gas-phase structures of NKA resemble these native structures? The IR spectra reported here allow the validation of future structural calculations that may answer this question.

Coexistence of a metastable double hcp phase in bcc-fcc structure transition of Te under high pressure

NASA Astrophysics Data System (ADS)

Akahama, Yuichi; Okawa, Naoki; Sugimoto, Toshiyuki; Fujihisa, Hiroshi; Hirao, Naoshisa; Ohishi, Yasuo

2018-02-01

The structural phase transitions of tellurium (Te) are investigated at pressures of up to 330 GPa at 298 K using an X-ray powder diffraction technique. In the experiments, it was found that the high-pressure bcc phase (Te-V) transitioned to the fcc phase (Te-VI) at 99 GPa, although a double hcp phase (dhcp) coexisted with the fcc phase. As the pressure was increased and decreased, the dhcp phase vanished at 255 and 100 GPa, respectively. These results suggest that the dhcp phase is metastable at 298 K and the structure of the highest-pressure phase of Te is fcc. The present results provide important information regarding the high-pressure behavior of group-16 elements.

Analysis of phases in the structure determination of an icosahedral virus

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

Plevka, Pavel; Kaufmann, Bärbel; Rossmann, Michael G.

2012-03-15

The constraints imposed on structure-factor phases by noncrystallographic symmetry (NCS) allow phase improvement, phase extension to higher resolution and hence ab initio phase determination. The more numerous the NCS redundancy and the greater the volume used for solvent flattening, the greater the power for phase determination. In a case analyzed here the icosahedral NCS phasing appeared to have broken down, although later successful phase extension was possible when the envelope around the NCS region was tightened. The phases from the failed phase-determination attempt fell into four classes, all of which satisfied the NCS constraints. These four classes corresponded to themore » correct solution, opposite enantiomorph, Babinet inversion and opposite enantiomorph with Babinet inversion. These incorrect solutions can be seeded from structure factors belonging to reciprocal-space volumes that lie close to icosahedral NCS axes where the structure amplitudes tend to be large and the phases tend to be 0 or {pi}. Furthermore, the false solutions can spread more easily if there are large errors in defining the envelope designating the region in which NCS averaging is performed.« less

Analysis of phases in the structure determination of an icosahedral virus.

PubMed

Plevka, Pavel; Kaufmann, Bärbel; Rossmann, Michael G

2011-06-01

The constraints imposed on structure-factor phases by noncrystallographic symmetry (NCS) allow phase improvement, phase extension to higher resolution and hence ab initio phase determination. The more numerous the NCS redundancy and the greater the volume used for solvent flattening, the greater the power for phase determination. In a case analyzed here the icosahedral NCS phasing appeared to have broken down, although later successful phase extension was possible when the envelope around the NCS region was tightened. The phases from the failed phase-determination attempt fell into four classes, all of which satisfied the NCS constraints. These four classes corresponded to the correct solution, opposite enantiomorph, Babinet inversion and opposite enantiomorph with Babinet inversion. These incorrect solutions can be seeded from structure factors belonging to reciprocal-space volumes that lie close to icosahedral NCS axes where the structure amplitudes tend to be large and the phases tend to be 0 or π. Furthermore, the false solutions can spread more easily if there are large errors in defining the envelope designating the region in which NCS averaging is performed. © 2011 International Union of Crystallography

Analysis of phases in the structure determination of an icosahedral virus

PubMed Central

Plevka, Pavel; Kaufmann, Bärbel; Rossmann, Michael G.

2011-01-01

The constraints imposed on structure-factor phases by non­crystallographic symmetry (NCS) allow phase improvement, phase extension to higher resolution and hence ab initio phase determination. The more numerous the NCS redundancy and the greater the volume used for solvent flattening, the greater the power for phase determination. In a case analyzed here the icosahedral NCS phasing appeared to have broken down, although later successful phase extension was possible when the envelope around the NCS region was tightened. The phases from the failed phase-determination attempt fell into four classes, all of which satisfied the NCS constraints. These four classes corresponded to the correct solution, opposite enantiomorph, Babinet inversion and opposite enantiomorph with Babinet inversion. These incorrect solutions can be seeded from structure factors belonging to reciprocal-space volumes that lie close to icosahedral NCS axes where the structure amplitudes tend to be large and the phases tend to be 0 or π. Furthermore, the false solutions can spread more easily if there are large errors in defining the envelope designating the region in which NCS averaging is performed. PMID:21636897

Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide

DOE PAGES

Whitfield, P. S.; Herron, N.; Guise, W. E.; ...

2016-10-21

Here, we examine the crystal structures and structural phase transitions of the deuterated, partially deuterated and hydrogenous organic-inorganic hybrid perovskite methyl ammonium lead iodide (MAPbI 3) using time-of-flight neutron and synchrotron X-ray powder diffraction. Near 330 K the high temperature cubic phases transformed to a body-centered tetragonal phase. The variation of the order parameter Q for this transition scaled with temperature T as Q (T c-T) , where T c is the critical temperature and the exponent was close to , as predicted for a tricritical phase transition. We also observed coexistence of the cubic and tetragonal phases over amore » range of temperature in all cases, demonstrating that the phase transition was in fact first-order, although still very close to tricritical. Upon cooling further, all the tetragonal phases transformed into a low temperature orthorhombic phase around 160 K, again via a first-order phase transition. Finally, based upon these results, we discuss the impact of the structural phase transitions upon photovoltaic performance of MAPbI 3 based solar cells.« less

Crystal structures of η''-Cu3+xSi and η'''-Cu3+xSi.

PubMed

Corrêa, Cinthia Antunes; Perez, Olivier; Kopeček, Jaromír; Brázda, Petr; Klementová, Mariana; Palatinus, Lukáš

2017-08-01

The binary phase diagram of Cu-Si is unexpectedly complex in the vicinity of Cu 3+x Si. The low-temperature region contains three closely related incommensurately modulated phases denoted, in order of increasing temperature of stability, η''', η'' and η'. The structure analysis of η' has been reported previously [Palatinus et al. (2011). Inorg. Chem. 50, 3743]. Here the structure model for the phases η'' and η''' is reported. The structures could be solved in superspace, but no superspace structure model could be constructed due to the complexity of the modulation functions. Therefore, the structures were described in a supercell approximation, which involved a 4 × 4 × 3 supercell for the η'' phase and a 14 × 14 × 3 supercell for the η''' phase. Both structures are very similar and differ only by a subtle symmetry lowering from η'' to η'''. A comparison of the structure models of η'' and η''' with the reported structure of η' suggests that the reported structure model of η' contains an incorrect assignment of atomic types.

Origins of the structural phase transitions in MoTe2 and WTe2

NASA Astrophysics Data System (ADS)

Kim, Hyun-Jung; Kang, Seoung-Hun; Hamada, Ikutaro; Son, Young-Woo

2017-05-01

Layered transition metal dichalcogenides MoTe2 and WTe2 share almost similar lattice constants as well as topological electronic properties except their structural phase transitions. While the former shows a first-order phase transition between monoclinic and orthorhombic structures, the latter does not. Using a recently proposed van der Waals density functional method, we investigate structural stability of the two materials and uncover that the disparate phase transitions originate from delicate differences between their interlayer bonding states near the Fermi energy. By exploiting the relation between the structural phase transitions and the low energy electronic properties, we show that a charge doping can control the transition substantially, thereby suggesting a way to stabilize or to eliminate their topological electronic energy bands.

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

Structure analysis of turbulent liquid phase by POD and LSE techniques

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

Munir, S., E-mail: shahzad-munir@comsats.edu.pk; Muthuvalu, M. S.; Siddiqui, M. I.

2014-10-24

In this paper, vortical structures and turbulence characteristics of liquid phase in both single liquid phase and two-phase slug flow in pipes were studied. Two dimensional velocity vector fields of liquid phase were obtained by Particle image velocimetry (PIV). Two cases were considered one single phase liquid flow at 80 l/m and second slug flow by introducing gas at 60 l/m while keeping liquid flow rate same. Proper orthogonal decomposition (POD) and Linear stochastic estimation techniques were used for the extraction of coherent structures and analysis of turbulence in liquid phase for both cases. POD has successfully revealed large energymore » containing structures. The time dependent POD spatial mode coefficients oscillate with high frequency for high mode numbers. The energy distribution of spatial modes was also achieved. LSE has pointed out the coherent structured for both cases and the reconstructed velocity fields are in well agreement with the instantaneous velocity fields.« less

High-pressure phases of Weyl semimetals NbP, NbAs, TaP, and TaAs

NASA Astrophysics Data System (ADS)

Guo, ZhaoPeng; Lu, PengChao; Chen, Tong; Wu, JueFei; Sun, Jian; Xing, DingYu

2018-03-01

In this study, we used the crystal structure search method and first-principles calculations to systematically explore the highpressure phase diagrams of the TaAs family (NbP, NbAs, TaP, and TaAs). Our calculation results show that NbAs and TaAs have similar phase diagrams, the same structural phase transition sequence I41 md→ P6¯ m2→ P21/ c→ Pm3¯ m, and slightly different transition pressures. The phase transition sequence of NbP and TaP differs somewhat from that of NbAs and TaAs, in which new structures emerge, such as the Cmcm structure in NbP and the Pmmn structure in TaP. Interestingly, we found that in the electronic structure of the high-pressure phase P6¯ m2-NbAs, there are coexistingWeyl points and triple degenerate points, similar to those found in high-pressure P6¯ m2-TaAs.

Phase diagram of germanium telluride encapsulated in carbon nanotubes from first-principles searches

NASA Astrophysics Data System (ADS)

Wynn, Jamie M.; Medeiros, Paulo V. C.; Vasylenko, Andrij; Sloan, Jeremy; Quigley, David; Morris, Andrew J.

2017-12-01

Germanium telluride has attracted great research interest, primarily because of its phase-change properties. We have developed a general scheme, based on the ab initio random structure searching (AIRSS) method, for predicting the structures of encapsulated nanowires, and using this we predict a number of thermodynamically stable structures of GeTe nanowires encapsulated inside carbon nanotubes of radii under 9 Å . We construct the phase diagram of encapsulated GeTe, which provides quantitative predictions about the energetic favorability of different filling structures as a function of the nanotube radius, such as the formation of a quasi-one-dimensional rock-salt-like phase inside nanotubes of radii between 5.4 and 7.9 Å . Simulated TEM images of our structures show excellent agreement between our results and experimental TEM imagery. We show that, for some nanotubes, the nanowires undergo temperature-induced phase transitions from one crystalline structure to another due to vibrational contributions to the free energy, which is a first step toward nano-phase-change memory devices.

First-principles screening of structural properties of intermetallic compounds on martensitic transformation

NASA Astrophysics Data System (ADS)

Lee, Joohwi; Ikeda, Yuji; Tanaka, Isao

2017-11-01

Martensitic transformation with good structural compatibility between parent and martensitic phases are required for shape memory alloys (SMAs) in terms of functional stability. In this study, first-principles-based materials screening is systematically performed to investigate the intermetallic compounds with the martensitic phases by focusing on energetic and dynamical stabilities as well as structural compatibility with the parent phase. The B2, D03, and L21 crystal structures are considered as the parent phases, and the 2H and 6M structures are considered as the martensitic phases. In total, 3384 binary and 3243 ternary alloys with stoichiometric composition ratios are investigated. It is found that 187 alloys survive after the screening. Some of the surviving alloys are constituted by the chemical elements already widely used in SMAs, but other various metallic elements are also found in the surviving alloys. The energetic stability of the surviving alloys is further analyzed by comparison with the data in Materials Project Database (MPD) to examine the alloys whose martensitic structures may cause further phase separation or transition to the other structures.

Structural short-range order of the β-Ti phase in bulk Ti-Fe-(Sn) nanoeutectic composites

NASA Astrophysics Data System (ADS)

Das, J.; Eckert, J.; Theissmann, R.

2006-12-01

The authors report lattice distortion and "ω-like" structural short-range order (SRO) of the β-Ti phase in a Ti-Fe-(Sn) bulk nanoeutectic composite prepared by slow cooling from the melt. The nanoeuetctic phases are chemically homogeneous, but the addition of Sn releases the local lattice strain, modifies the structural SRO, and prevents the formation of stacking faults in the body centered cubic (bcc) β-Ti phase resulting in improved plastic deformability. The elastic properties and the structural SRO of the β-Ti phase are proposed to be important parameters for developing advanced high strength, ductile Ti-base nanocomposite alloys.

Morphological evolution of X-ray flare structures from the rise through the decay phase. [Skylab study of solar flares

NASA Technical Reports Server (NTRS)

Kahler, S. W.; Krieger, A. S.; Vaiana, G. S.

1975-01-01

The morphological evolution of 12 solar X-ray subflares from onset through the decay phase has been studied using photographic X-ray images obtained from Skylab. The spatial configurations are found to vary widely from flare to flare, but they appear to be composed of two basic kinds of structures. The first, termed 'X-ray kernels', are brightest during the rise phase; the second, looplike structures, appear during the maximum and decay phases of the event. The X-ray kernels are small pointlike structures which may be related to the nonthermal phases of flares.

Anomalous structural transition of confined hard squares.

PubMed

Gurin, Péter; Varga, Szabolcs; Odriozola, Gerardo

2016-11-01

Structural transitions are examined in quasi-one-dimensional systems of freely rotating hard squares, which are confined between two parallel walls. We find two competing phases: one is a fluid where the squares have two sides parallel to the walls, while the second one is a solidlike structure with a zigzag arrangement of the squares. Using transfer matrix method we show that the configuration space consists of subspaces of fluidlike and solidlike phases, which are connected with low probability microstates of mixed structures. The existence of these connecting states makes the thermodynamic quantities continuous and precludes the possibility of a true phase transition. However, thermodynamic functions indicate strong tendency for the phase transition and our replica exchange Monte Carlo simulation study detects several important markers of the first order phase transition. The distinction of a phase transition from a structural change is practically impossible with simulations and experiments in such systems like the confined hard squares.

Invar alloys: information from the study of iron meteorites.

NASA Astrophysics Data System (ADS)

Goldstein, J. I.; Williams, D. B.; Zhang, J.; Clarke, R.

The iron meteorites were slow cooled (<108years) in their asteroidal bodies and are useful as indicators of the phase transformations which occur in Fe-Ni alloys. In the invar composition range, the iron meteorites contain a cloudy zone structure composed of an ordered tetrataenite phase and a surrounding honeycomb phase either of gamma or alpha phase. This structure is the result of a spinodal reaction below 350°C. The Santa Catharina iron meteorite has the typical invar composition of 36 wt% Ni and its structure is entirely cloudy zone although some of the honeycomb phase has been oxidized by terrestrial corrosion. Invar alloys would contain such a cloudy zone structure if more time was available for cooling. A higher temperature spinodal in the Fe-Ni phase diagram may be operative in invar alloys but has not been observed in the structure of the iron meteorites.

Global Three-Dimensional Atmospheric Structure of the Atlantic Multidecadal Oscillation as Revealed by Two Reanalyses

NASA Astrophysics Data System (ADS)

Stuckman, Scott Seele

This study is a first documentation of the structure of the entire AMO life cycle, including extreme and transition phases, throughout the global troposphere. The extreme phase climate signature is constructed based on the strongest and most robust patterns identified by two methods (linear correlation and composite analyses), two reanalysis datasets (the National Centers for Environmental Prediction/National Center for Atmospheric Research and Twentieth Century Reanalysis, supplemented with precipitation data from the University of Delaware dataset) and data from two consecutive AMO cycles. The first characterization of the AMO transition phases uses a transition index based on the time derivative of AMO index. When trying to compare the zonal mean structure of AMO with the El Niño-Southern Oscillation (ENSO), a literature search showed the zonal mean structure of ENSO remained unpublished, despite the otherwise generally well-characterized horizontal structures. Therefore this study includes a seasonal analysis of the ENSO zonal mean structure during boreal winter (DJF) and summer (JJA). The AMO extreme phase is characterized by a blend of low and middle latitude centers of action, with the associated tilt of geopotential height anomaly patterns consistent with off-equatorial heating patterns generated by the Held idealized model. The surface climate signature is connected to the upper air with baroclinic vertical structure over the North Atlantic but barotropic structures elsewhere. The associated zonal mean circulation features three circulation cells globally with strong inter-hemispheric mixing that suggests the traditional view of the AMO involving a Northern-Southern Hemisphere asymmetry is accurate only near the surface. The AMO transition phase features a more equatorial-based climate signature and associated geopotential height anomaly patterns consistent with the Matsuno-Gill idealized model. The zonal mean circulation of the transition phases features six, rather than three, circulation cells globally. The only baroclinic structure, over North America, and several barotropic structures are positioned west of corresponding similar structures during the AMO extreme phase, suggesting an eastward evolution of climate anomalies as the AMO progresses from a cool-to-warm transition phase to warm phase. The Pacific-based climate signature resembles the IPO warm phase and it is proposed the AMO and IPO are different basin-wide expressions of a single multidecadal oscillation. The identification of an AMO transition phase climate signature distinct from the extreme phase suggests transition phases are not neutral and may provide an additional source of information for characterizing climate cycles.

New lipid family that forms inverted cubic phases in equilibrium with excess water: molecular structure-aqueous phase structure relationship for lipids with 5,9,13,17-tetramethyloctadecyl and 5,9,13,17-tetramethyloctadecanoyl chains.

PubMed

Yamashita, Jun; Shiono, Manzo; Hato, Masakatsu

2008-10-02

With a view to discovering a new family of lipids that form inverted cubic phases, the aqueous phase behavior of a series of lipids with isoprenoid-type hydrophobic chains has been examined over a temperature range from -40 to 65 degrees C by using optical microscopy, DSC (differential scanning calorimetry), and SAXS (small-angle X-ray scattering) techniques. The lipids examined are those with 5,9,13,17-tetramethyloctadecyl and 5,9,13,17-tetramethyloctadecanoyl chains linked to a series of headgroups, that is, erythritol, pentaerythritol, xylose, and glucose. All of the lipid/water systems displayed a "water + liquid crystalline phase" two-phase coexistence state when sufficiently diluted. The aqueous phase structures of the most diluted liquid crystalline phases in equilibrium with excess water depend both on the lipid molecular structure and on the temperature. Given an isoprenoid chain, the preferred phase consistently follows a phase sequence of an H II (an inverted hexagonal phase) to a Q II (an inverted bicontinuous cubic phase) to an L alpha (a lamellar phase) as A* (cross-section area of the headgroup) increases. For a given lipid/water system, the phase sequence observed as the temperature increases is L alpha to Q II to H II. The present study allowed us to find four cubic phase-forming lipid species, PEOC 18+4 [mono- O-(5,9,13,17-tetramethyloctadecyl)pentaerythritol], beta-XylOC 18+4 [1- O-(5,9,13,17-tetramethyloctadecyl)-beta- d-xylopyranoside], EROCOC 17+4 [1- O-(5,9,13,17-tetramethyloctadecanoyl)erythritol], and PEOCOC 17+4 [mono- O-(5,9,13,17-tetramethyloctadecanoyl)pentaerythritol]. The values of T K (hydrated solid-liquid crystalline phase transition temperature) of the cubic phase-forming lipids are all below 0 degrees C. Quantitative analyses of the lipid molecular structure-aqueous phase structure relationship in terms of the experimentally evaluated "surfactant parameter" allow us to rationally select an optimum combination of hydrophilic/hydrophobic part of a lipid molecule that will form a desired phase in a desired temperature range.

Characterization of the Solid-Phase Behavior of n-Nonylammonium Tetrachlorocuprate by Fourier Transform Infrared Spectroscopy

NASA Astrophysics Data System (ADS)

Ning, Guo

1995-06-01

The solid-phase behavior of [n-C9H19NH3]2CuCl4 was investigated by infrared spectroscopy. The nature of the three solid phases (phase I, phase II, and phase III) is discussed. A temperature-dependent study of infrared spectra provides evidence for the occurrence of structural phase transitions related to the dynamics of the alkyl chains and -NH3 polar heads. The phase transition at Tc1 (22°C) arises from variation in the interaction and packing structure of the chain. The phase transition at Tc2 (34°C) is related to variation in partial conformational order-disorder at the intramolecular level. The GTG or GTG‧ and small concentration of TG structures near the CH3 group are generated in phase III (above 38°C).

Non-phase-matched enhancement of second-harmonic generation in multilayer nonlinear structures with internal reflections.

PubMed

Centini, Marco; D'Aguanno, Giuseppe; Sciscione, Letizia; Sibilia, Concita; Bertolotti, Mario; Scalora, Michael; Bloemer, Mark J

2004-08-15

Traditional notions of second-harmonic generation rely on phase matching or quasi phase matching to achieve good conversion efficiencies. We present an entirely new concept for efficient second-harmonic generation that is based on the interference of counterpropagating waves in multilayer structures. Conversion efficiencies are an order of magnitude larger than with phase-matched second-harmonic generation in similar multilayer structures.

Structural comparison of nickel electrodes and precursor phases

NASA Technical Reports Server (NTRS)

Cornilsen, Bahne C.; Shan, Xiaoyin; Loyselle, Patricia

1989-01-01

Researchers summarize previous Raman spectroscopic results and discuss important structural differences in the various phases of active mass and active mass precursors. Raman spectra provide unique signatures for these phases, and allow one to distinguish each phase, even when the compound is amorphous to x rays (i.e., does not scatter x rays because of a lack of order and/or small particle size). The structural changes incurred during formation, charge and discharge, cobalt addition, and aging are discussed. The oxidation states and dopant contents are explained in terms of the nonstoichiometric structures.

Time-dependent local and average structural evolution of δ-phase 239Pu-Ga alloys

DOE PAGES

Smith, Alice I.; Page, Katharine L.; Siewenie, Joan E.; ...

2016-08-05

Here, plutonium metal is a very unusual element, exhibiting six allotropes at ambient pressure, between room temperature and its melting point, a complicated phase diagram, and a complex electronic structure. Many phases of plutonium metal are unstable with changes in temperature, pressure, chemical additions, or time. This strongly affects structure and properties, and becomes of high importance, particularly when considering effects on structural integrity over long periods of time [1]. This paper presents a time-dependent neutron total scattering study of the local and average structure of naturally aging δ-phase 239Pu-Ga alloys, together with preliminary results on neutron tomography characterization.

Orthorhombic Zr2Co11 phase revisited

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

Li, X. -Z.; Zhang, W. Y.; Sellmyer, D. J.

2014-10-01

The structure of the orthorhombic Zr2Co11 phase was revisited in the present work. Selected-area electron diffraction (SAED) and high-resolution electron microscopy (HREM) techniques were used to investigate the structure. They show the orthorhombic Zr2Co11 phase has a 1-D incommensurate modulated structure. The structure can be approximately described as a B-centered orthorhombic lattice. The lattice parameters of the orthorhombic Zr2Co11 phase have been determined by a tilt series of SAED patterns. A hexagonal network with a modulation wave has been observed in the HREM image and the hexagonal motif is considered as the basic structural unit.

Pressure-induced structural transition in chalcopyrite ZnSiP2

NASA Astrophysics Data System (ADS)

Bhadram, Venkata S.; Krishna, Lakshmi; Toberer, Eric S.; Hrubiak, Rostislav; Greenberg, Eran; Prakapenka, Vitali B.; Strobel, Timothy A.

2017-05-01

The pressure-dependent phase behavior of semiconducting chalcopyrite ZnSiP2 was studied up to 30 GPa using in situ X-ray diffraction and Raman spectroscopy in a diamond-anvil cell. A structural phase transition to the rock salt type structure was observed between 27 and 30 GPa, which is accompanied by soft phonon mode behavior and simultaneous loss of Raman signal and optical transmission through the sample. The high-pressure rock salt type phase possesses cationic disorder as evident from broad features in the X-ray diffraction patterns. The behavior of the low-frequency Raman modes during compression establishes a two-stage, order-disorder phase transition mechanism. The phase transition is partially reversible, and the parent chalcopyrite structure coexists with an amorphous phase upon slow decompression to ambient conditions.

Different structures of monoclinic martensitic phases in titanium nickelide

NASA Astrophysics Data System (ADS)

Voronin, V. I.; Naish, V. E.; Novoselova, T. V.; Pushin, V. G.; Sagaradze, I. V.

2000-03-01

The detailed theoretical and experimental analysis has been undertaken to bring to light the true structure of the monoclinic phase in titanium nickelide (NiTi). Theoretical models for such a phase have been proposed to describe the experimental data. In addition to the well-known B19‧ phase two more structures - new monoclinic M phase with Cm space group and triclinic phase with P1 space group - have been produced and analyzed in detail. Diffraction patterns have been obtained from different NiTi samples by using the neutron diffractometer IVV2 at different temperatures. From the refinement by DBWS-9411 program all these neutron patterns have been decoded successfully. The proposed new structures and stereotype B19‧ one agree with correspondent experimental data and the agreement is quite good.

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.

Polymorphism in Strontium Tungstate SrWO4 under Quasi-Hydrostatic Compression.

PubMed

Santamaria-Perez, David; Errandonea, Daniel; Rodriguez-Hernandez, Placida; Muñoz, Alfonso; Lacomba-Perales, Raul; Polian, Alain; Meng, Yue

2016-10-03

The structural and vibrational properties of SrWO 4 have been studied experimentally up to 27 and 46 GPa, respectively, by angle-dispersive synchrotron X-ray diffraction and Raman spectroscopy measurements as well as using ab initio calculations. The existence of four polymorphs upon quasi-hydrostatic compression is reported. The three phase transitions were found at 11.5, 19.0, and 39.5 GPa. The ambient-pressure SrWO 4 tetragonal scheelite-type structure (S.G. I4 1 /a) undergoes a transition to a monoclinic fergusonite-type structure (S.G. I2/a) at 11.5 GPa with a 1.5% volume decrease. Subsequently, at 19.0 GPa, another structural transformation takes place. Our calculations indicate two possible post-fergusonite phases, one monoclinic and the other orthorhombic. In the diffraction experiments, we observed the theoretically predicted monoclinic LaTaO 4 -type phase coexisting with the fergusonite-type phase up to 27 GPa. The coexistence of the two phases and the large volume collapse at the transition confirm a kinetic hindrance typical of first-order phase transitions. Significant changes in Raman spectra suggest a third pressure-induced transition at 39.5 GPa. The conclusions extracted from the experiments are complemented and supported by ab initio calculations. Our data provides insight into the structural mechanism of the first transition, with the formation of two additional W-O contacts. The fergusonite-type phase can be therefore considered as a structural bridge between the scheelite structure, composed of [WO 4 ] tetrahedra, and the new higher pressure phases, which contain [WO 6 ] octahedra. All the observed phases are compatible with the high-pressure structural systematics predicted for ABO 4 compounds using crystal-chemistry arguments such as the diagram proposed by Bastide.

Structure and phase composition of ultrafine-grained TiNb alloy after high-temperature annealings

NASA Astrophysics Data System (ADS)

Eroshenko, Anna Yu.; Glukhov, Ivan A.; Mairambekova, Aikol; Tolmachev, Alexey I.; Sharkeev, Yurii P.

2017-12-01

The paper presents the experimental data observed in the microstructure and phase composition of ultrafine-grained Ti-40 mass % Nb (Ti40Nb) alloy after high-temperature annealings. The ultrafine-grained Ti40Nb alloy is produced by severe plastic deformation (SPD). This method includes multiple abc-pressing and multi-pass rolling followed by further pre-recrystallizing annealing which, in its turn, enhances the formation of ultrafine-grained structures with mean size of 0.28 µm involving stable β- and α-phase and metastable nanosized ω-phase in the alloy. It is shown that annealing at 500°C preserves the ultrafine-grained structure and phase composition. In cases of annealing at 800°C the ultrafine-grained state transforms into the coarse-grained state. The stable β-phase and the nanosized metastable ω-phase have been identified in the coarse-grained structure.

Switching of the direction of reflectionless light propagation at exceptional points in non-PT-symmetric structures using phase-change materials.

PubMed

Huang, Yin; Shen, Yuecheng; Min, Changjun; Veronis, Georgios

2017-10-30

We introduce a non-parity-time-symmetric three-layer structure, consisting of a gain medium layer sandwiched between two phase-change medium layers for switching of the direction of reflectionless light propagation. We show that for this structure unidirectional reflectionlessness in the forward direction can be switched to unidirectional reflectionlessness in the backward direction at the optical communication wavelength by switching the phase-change material Ge 2 Sb 2 Te 5 (GST) from its amorphous to its crystalline phase. We also show that it is the existence of exceptional points for this structure with GST in both its amorphous and crystalline phases which leads to unidirectional reflectionless propagation in the forward direction for GST in its amorphous phase, and in the backward direction for GST in its crystalline phase. Our results could be potentially important for developing a new generation of compact active free-space optical devices.

Local Crystalline Structure in an Amorphous Protein Dense Phase

PubMed Central

Greene, Daniel G.; Modla, Shannon; Wagner, Norman J.; Sandler, Stanley I.; Lenhoff, Abraham M.

2015-01-01

Proteins exhibit a variety of dense phases ranging from gels, aggregates, and precipitates to crystalline phases and dense liquids. Although the structure of the crystalline phase is known in atomistic detail, little attention has been paid to noncrystalline protein dense phases, and in many cases the structures of these phases are assumed to be fully amorphous. In this work, we used small-angle neutron scattering, electron microscopy, and electron tomography to measure the structure of ovalbumin precipitate particles salted out with ammonium sulfate. We found that the ovalbumin phase-separates into core-shell particles with a core radius of ∼2 μm and shell thickness of ∼0.5 μm. Within this shell region, nanostructures comprised of crystallites of ovalbumin self-assemble into a well-defined bicontinuous network with branches ∼12 nm thick. These results demonstrate that the protein gel is comprised in part of nanocrystalline protein. PMID:26488663

Prediction of a New Phase of Cu x S near Stoichiometric Composition

DOE PAGES

Khatri, Prashant; Huda, Muhammad N.

2015-01-01

Cumore » 2 S is known to be a promising solar absorber material due to its suitable band gap and the abundance of its constituent elements. 2 S is known to have complex phase structures depending on the concentration of vacancies. Its instability of phases is due to favorable formation of vacancies and the mobility of atoms within the crystal. Understanding its phase structures is of crucial important for its application as solar absorber material. In this paper, we have predicted a new crystal phase of copper sulfide ( x S) around chemical composition of x = 1.98 by utilizing crystal database search and density functional theory. We have shown that this new crystal phase of x S is more favorable than low chalcocite structure even at stoichiometric composition of x = 2 . However, vacancy formation probability was found to be higher in this new phase than the low chalcocite structure.« less

Structural and electronic phase transitions of MoTe2 induced by Li ionic gating

NASA Astrophysics Data System (ADS)

Hwang, Jeongwoon; Zhang, Chenxi; Cho, Kyeongjae

2017-12-01

Monolayer MoTe2 has semiconducting and semimetallic phases with small energy difference, and the relative stability is readily reversed by gating. By first-principles calculations, we investigate the changes in atomic structure, electronic structure, and relative stability of two phases induced by Li ionic gating. To model Li ionic gating, we employ two approaches; one is direct adsorption of Li on MoTe2 and the other is introducing non-contacting Li plate over MoTe2. We show phonon instability in H-phase of MoTe2 with increasing the amount of charge transfer from Li, which implies a large electron-phonon coupling in the system resulting in a charge density wave state. Structural distortion is also observed in highly doped T d phase. The transition energy barrier from distorted H phase to distorted T d phase is reduced considerably compared to that of pristine MoTe2.

Atomistic simulation of cubic and tetragonal phases of U-Mo alloy: Structure and thermodynamic properties

NASA Astrophysics Data System (ADS)

Starikov, S. V.; Kolotova, L. N.; Kuksin, A. Yu.; Smirnova, D. E.; Tseplyaev, V. I.

2018-02-01

We studied structure and thermodynamic properties of cubic and tetragonal phases of pure uranium and U-Mo alloys using atomistic simulations: molecular dynamics and density functional theory. The main attention was paid to the metastable γ0 -phase that is formed in U-Mo alloys at low temperature. Structure of γ0 -phase is similar to body-centered tetragonal (bct) lattice with displacement of a central atom in the basic cell along [ 001 ] direction. Such displacements have opposite orientations for part of the neighbouring basic cells. In this case, such ordering of the displacements can be designated as antiferro-displacement. Formation of such complex structure may be interpreted through forming of short U-U bonds. At heating, the tetragonal structure transforms into cubic γs -phase, still showing ordering of central atom displacements. With rise in temperature, γs -phase transforms to γ-phase with a quasi body-centered cubic (q-bcc) lattice. The local positions of uranium atoms in γ-phase correspond to γs -phase, however, orientations of the central atom displacements become disordered. Transition from γ0 to γ can be considered as antiferro-to paraelastic transition of order-disorder type. This approach to the structure description of uranium alloy allows to explain a number of unusual features found in the experiments: anisotropy of lattice at low temperature; remarkably high self-diffusion mobility in γ-phase; decreasing of electrical resistivity at heating for some alloys. In addition, important part of this work is the development of new interatomic potential for U-Mo system made with taking into account details of studied structures.

The gas phase structure of α -pinene, a main biogenic volatile organic compound

NASA Astrophysics Data System (ADS)

Neeman, Elias M.; Avilés Moreno, Juan Ramón; Huet, Thérèse R.

2017-12-01

The gas phase structure of the bicyclic atmospheric aerosol precursor α-pinene was investigated employing a combination of quantum chemical calculation and Fourier transform microwave spectroscopy coupled to a supersonic jet expansion. The very weak rotational spectra of the parent species and all singly substituted 13C in natural abundance have been identified, from 2 to 20 GHz, and fitted to Watson's Hamiltonian model. The rotational constants were used together with geometrical parameters from density functional theory and ab initio calculations to determine the rs, r0, and rm(1 ) structures of the skeleton, without any structural assumption in the fit concerning the heavy atoms. The double C=C bond was found to belong to a quasiplanar skeleton structure containing 6 carbon atoms. Comparison with solid phase structure is reported. The significant differences of α-pinene in gas phase and other gas phase bicyclic monoterpene structures (β-pinene, nopinone, myrtenal, and bicyclo[3.1.1]heptane) are discussed.

Quantum Monte Carlo study of the phase diagram of solid molecular hydrogen at extreme pressures

PubMed Central

Drummond, N. D.; Monserrat, Bartomeu; Lloyd-Williams, Jonathan H.; Ríos, P. López; Pickard, Chris J.; Needs, R. J.

2015-01-01

Establishing the phase diagram of hydrogen is a major challenge for experimental and theoretical physics. Experiment alone cannot establish the atomic structure of solid hydrogen at high pressure, because hydrogen scatters X-rays only weakly. Instead, our understanding of the atomic structure is largely based on density functional theory (DFT). By comparing Raman spectra for low-energy structures found in DFT searches with experimental spectra, candidate atomic structures have been identified for each experimentally observed phase. Unfortunately, DFT predicts a metallic structure to be energetically favoured at a broad range of pressures up to 400 GPa, where it is known experimentally that hydrogen is non-metallic. Here we show that more advanced theoretical methods (diffusion quantum Monte Carlo calculations) find the metallic structure to be uncompetitive, and predict a phase diagram in reasonable agreement with experiment. This greatly strengthens the claim that the candidate atomic structures accurately model the experimentally observed phases. PMID:26215251

High-pressure phase transitions, amorphization, and crystallization behaviors in Bi2Se3.

PubMed

Zhao, Jinggeng; Liu, Haozhe; Ehm, Lars; Dong, Dawei; Chen, Zhiqiang; Gu, Genda

2013-03-27

The phase transition, amorphization, and crystallization behaviors of the topological insulator bismuth selenide (Bi2Se3) were discovered by performing in situ high-pressure angle-dispersive x-ray diffraction experiments during an increasing, decreasing, and recycling pressure process. In the compression process, Bi2Se3 transforms from the original rhombohedral structure (phase I(A)) to a monoclinic structure (phase II) at about 10.4 GPa, and further to a body-centered tetragonal structure (phase III) at about 24.5 GPa. When releasing pressure to ambient conditions after the complete transformation from phase II to III, Bi2Se3 becomes an amorphous solid (AM). In the relaxation process from this amorphous state, Bi2Se3 starts crystallizing into an orthorhombic structure (phase I(B)) about five hours after releasing the pressure to ambient. A review of the pressure-induced phase transition behaviors of A2B3-type materials composed from the V and VI group elements is presented.

Combined loading criterial influence on structural performance

NASA Technical Reports Server (NTRS)

Kuchta, B. J.; Sealey, D. M.; Howell, L. J.

1972-01-01

An investigation was conducted to determine the influence of combined loading criteria on the space shuttle structural performance. The study consisted of four primary phases: Phase (1) The determination of the sensitivity of structural weight to various loading parameters associated with the space shuttle. Phase (2) The determination of the sensitivity of structural weight to various levels of loading parameter variability and probability. Phase (3) The determination of shuttle mission loading parameters variability and probability as a function of design evolution and the identification of those loading parameters where inadequate data exists. Phase (4) The determination of rational methods of combining both deterministic time varying and probabilistic loading parameters to provide realistic design criteria. The study results are presented.

Separation of alkylphenols by normal-phase and reversed-phase high-performance liquid chromatography

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

Schabron, J.F.; Hurtubise, R.J.; Silver, H.F.

1978-11-01

Empirical correlation factors were developed which relate log k' values for alkylphenols, the naphthols, and two phenylphenols to structural features. Both normal-phase and reversed-phase chromatographic systems were studied. The stationary phases employed in the normal-phase work were ..mu..-Bondapak CN, ..mu..-Bondapak NH/sub 2/, and ..mu..-Porasil. The structural features which affect retention in the normal-phase chromatographic systems are the number of ortho substituents, the number of aliphatic carbons, and the number of aromatic rings. The stationary phases employed in the reversed-phase work were ..mu..-Bondapak C/sub 18/ and ..mu..-Bondapak CN. The structural features which affect retention in the reversed-phase chromatographic systems are themore » number of aliphatic carbons and the number of aromatic double bonds. On ..mu..-Bondapak C/sub 18/, the presence or absence of a nonaromatic ring is of added importance.« less

Investigating the performance of catalyst layer micro-structures with different platinum loadings

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

Khakaz-Baboli, Moben; Harvey, David; Pharoah, Jon

In this study a four-phase micro-structure of a PEFC catalyst layer was reconstructed by randomly placing overlapping spheres for each solid catalyst phase. The micro-structure was mirrored to make a micro-structure. A body-fit computational mesh was produced for the reconstructed micro-structure in OpenFOAM. Associated conservation equations were solved within all the phases with electrochemical reaction as the boundary condition at the interface between ionomer and platinum phases. The study is focused on the platinum loading of CL. The polarization curves of the micro-structure performance have been compared for different platinum loadings. This paper gives increased insight into the relatively greatermore » losses at decreased platinum loadings.« less

Structure and Properties of Sn2Se3, a mixed valent tin selenium compound

NASA Astrophysics Data System (ADS)

Xing, Guangzong; Li, Yuwei; Fan, Xiaofeng; Zhang, Lijun; Singh, David

Sn2Se3 is a possibly expected phase based on analogy with Sn2S3 but it has never been reported. It is of interest due to reported phase change memories using this composition using transitions between an amorphous phase and an unknown crystalline phase. We identify the crystal structure Sn2Se3 and report its properties at ambient pressure based on the ab initio evolutionary methodology for crystal structure prediction implemented in the Calypso code. We find a structure based on Sn-Se ribbons with clear Sn(II)and Sn(IV)sites similar to the structure of Sn2S3. Compared with the known phase SnSe (Pnma) +SnSe2 (P-3m1), the energy is only 2.3meV/atom higher. The electronic structure of this phase shows mixed valent tins Sn2+ and Sn4+ in this compound. A small band gap of 0.023 eV is obtained from the band structure consistent with the small resistance reported by Kyung-Min Chung et al. Work at the University of Missouri is supported by DOE through the S3TEC EFRC.

Interferometric characterization of the structured polarized light beam produced by the conical refraction phenomenon.

PubMed

Peinado, Alba; Turpin, Alex; Iemmi, Claudio; Márquez, Andrés; Kalkandjiev, Todor K; Mompart, Jordi; Campos, Juan

2015-07-13

The interest on the conical refraction (CR) phenomenon in biaxial crystals has revived in the last years due to its prospective for generating structured polarized light beams, i.e. vector beams. While the intensity and the polarization structure of the CR beams are well known, an accurate experimental study of their phase structure has not been yet carried out. We investigate the phase structure of the CR rings by means of a Mach-Zehnder interferometer while applying the phase-shifting interferometric technique to measure the phase at the focal plane. In general the two beams interfering correspond to different states of polarization (SOP) which locally vary. To distinguish if there is an additional phase added to the geometrical one we have derived the appropriate theoretical expressions using the Jones matrix formalism. We demonstrate that the phase of the CR rings is equivalent to that one introduced by an azimuthally segmented polarizer with CR-like polarization distribution. Additionally, we obtain direct evidence that the Poggendorff dark ring is an annular singularity, with a π phase change between the inner and outer bright rings.

Stabilizing the hexagonal close packed structure of hard spheres with polymers: Phase diagram, structure, and dynamics

NASA Astrophysics Data System (ADS)

Edison, John R.; Dasgupta, Tonnishtha; Dijkstra, Marjolein

2016-08-01

We study the phase behaviour of a binary mixture of colloidal hard spheres and freely jointed chains of beads using Monte Carlo simulations. Recently Panagiotopoulos and co-workers predicted [Nat. Commun. 5, 4472 (2014)] that the hexagonal close packed (HCP) structure of hard spheres can be stabilized in such a mixture due to the interplay between polymer and the void structure in the crystal phase. Their predictions were based on estimates of the free-energy penalty for adding a single hard polymer chain in the HCP and the competing face centered cubic (FCC) phase. Here we calculate the phase diagram using free-energy calculations of the full binary mixture and find a broad fluid-solid coexistence region and a metastable gas-liquid coexistence region. For the colloid-monomer size ratio considered in this work, we find that the HCP phase is only stable in a small window at relatively high polymer reservoir packing fractions, where the coexisting HCP phase is nearly close packed. Additionally we investigate the structure and dynamic behaviour of these mixtures.

Progressive phase trends in plates with embedded acoustic black holes.

PubMed

Conlon, Stephen C; Feurtado, Philip A

2018-02-01

Acoustic black holes (ABHs) have been explored and demonstrated to be effective passive treatments for broadband noise and vibration control. Performance metrics for assessing damping concepts are often focused on maximizing structural damping loss factors. Optimally performing damping treatments can reduce the resonant response of a driven system well below the direct field response. This results in a finite structure whose vibration input-output response follows that of an infinite structure. The vibration mobility transfer functions between locations on a structure can be used to assess the structure's vibration response phase, and compare its phase response characteristics to those of idealized systems. This work experimentally explores the phase accumulation in finite plates, with and without embedded grids of ABHs. The measured results are compared and contrasted with theoretical results for finite and infinite uniform plates. Accumulated phase characteristics, their spatial dependence and limits, are examined for the plates and compared to theoretical estimates. The phase accumulation results show that the embedded acoustic black hole treatments can significantly enhance the damping of the plates to the point that their phase accumulation follows that of an infinite plate.

Quasi-optical frequency selective surface with phase compensation structure correcting the beam distortion.

PubMed

Yao, Xiayuan; Liang, Bingyuan; Bai, Ming

2017-09-18

In space-borne quasi-optical feed system, frequency selective surface (FSS) should meet both electrical properties and mechanical requirements. In the paper, we design and fabricate three FSSs to achieve these goals. We present a novel FFS with phase compensation structure correcting the beam distortion. The phase compensation structure consists of short-ended circular waveguide array, inspired by the idea of reflect array antenna. The first FSS meets the need of electrical performance, however, which is too weak to pass the mechanical test. The second one overcomes the former problem, but brings the aberration in reflection beam, due to the discontinuity of the reflection phase. The third one with phase compensation structure meets all the demands. The insertion phase of the unit cell compensates 119 and 183 GHz two reflection bands, reconfigures the field distributions on the cross section of beam waist simultaneously. What' more, this FSS extends the functionality of the original FSS. To some extent, the FSS with phase compensation structure shares the ellipsoidal reflector's pressure to adjust the beam.

Ultralow-phase-noise oscillators based on BAW resonators.

PubMed

Li, Mingdong; Seok, Seonho; Rolland, Nathalie; Rolland, Paul; El Aabbaoui, Hassan; de Foucauld, Emeric; Vincent, Pierre; Giordano, Vincent

2014-06-01

This paper presents two 2.1-GHz low-phase noise oscillators based on BAW resonators. Both a single-ended common base structure and a differential Colpitts structure have been implemented in a 0.25-μm BiCMOS process. The detailed design methods including the realization, optimization, and test are reported. The differential Colpitts structure exhibits a phase noise 6.5 dB lower than the single-ended structure because of its good performance of power noise immunity. Comparison between the two structures is also carried out. The differential Colpitts structure shows a phase noise level of -87 dBc/Hz at 1-kHz offset frequency and a phase noise floor of -162 dBc/Hz, with an output power close to -6.5 dBm and a core consumption of 21.6 mW. Furthermore, with the proposed optimization methods, both proposed devices have achieved promising phase noise performance compared with state-of-the-art oscillators described in the literature. Finally, we briefly present the application of the proposed BAW oscillator to a micro-atomic clock.

Instability of the layered orthorhombic post-perovskite phase of SrTiO3 and other candidate orthorhombic phases under pressure

NASA Astrophysics Data System (ADS)

Bhandari, Churna; Lambrecht, Walter R. L.

2018-06-01

While the tetragonal antiferro-electrically distorted (AFD) phase with space group I 4 / mcm is well known for SrTiO3 to occur below 105 K, there are also some hints in the literature of an orthorhombic phase, either at the lower temperature or at high pressure. A previously proposed orthorhombic layered structure of SrTiO3, known as the post-perovskite or CaIrO3 structure with space group Cmcm is shown to have significantly higher energy than the cubic or tetragonal phase and to have its minimum volume at larger volume than cubic perovskite. The Cmcm structure is thus ruled out. We also study an alternative Pnma phase obtained by two octahedral rotations about different axes. This phase is found to have slightly lower energy than the I 4 / mcm phase in spite of the fact that its parent, in-phase tilted P 4 / mbm phase is not found to occur. Our calculated enthalpies of formation show that the I 4 / mcm phase occurs at slightly higher volume than the cubic phase and has a negative transition pressure relative to the cubic phase, which suggests that it does not correspond to the high-pressure tetragonal phase. The enthalpy of the Pnma phase is almost indistinguishable from the I 4 / mcm phase. Alternative ferro-electric tetragonal and orthorhombic structures previously suggested in literature are discussed.

Metastable ripple phase of fully hydrated dipalmitoylphosphatidylcholine as studied by small angle x-ray scattering

PubMed Central

Yao, Haruhiko; Matuoka, Sinzi; Tenchov, Boris; Hatta, Ichiro

1991-01-01

Fully hydrated dipalmitoylphosphatidylcholine (DPPC) undergoes liquid crystalline to metastable Pβ, phase transition in cooling. A small angle x-ray scattering study has been performed for obtaining further evidence about the structure of this phase. From a high-resolution observation of x-ray diffraction profiles, a distinct multipeak pattern has become obvious. Among them the (01) reflection in the secondary ripple structure is identified clearly. There are peaks assigned straightforwardly to (10) and (20) reflections in the primary ripple structure and peaks assigned to (10) and (20) reflections in the secondary ripple structure. Therefore the multipeak pattern is due to superposition of the reflections cause by the primary and secondary ripple structures. The lattice parameters are estimated as follows: for the primary ripple structure a = 7.09 nm, b = 13.64 nm, and γ = 95°, and for the secondary ripple structure a = 8.2 nm, b = 26.6 nm, and γ = 90°. The lattice parameters thus obtained for the secondary ripple structure are not conclusive, however. The hydrocarbon chains in the primary ripple structure have been reported as being tilted against the bilayer plane and, on the other hand, the hydrocarbon chains in the secondary ripple structure are likely to be perpendicular to the bilayer plane. This fact seems to be related to a sequential mechanism of phase transitions. On heating from the Lβ, phase where the hydrocarbon chains are tilted the primary ripple structure having tilted hydrocarbon chains takes place and on cooling from the Lα phase where the hydrocarbon chains are not tilted the secondary ripple structure with untilted chains tends to be stabilized. It appears that the truly metastable ripple phase is expressed by the second ripple structure although in the course of the actual cooling transition both the secondary and primary ripple structures form and coexist. PMID:19431787

Three-phase inductive-coupled structures for contactless PHEV charging system

NASA Astrophysics Data System (ADS)

Lee, Jia-You; Shen, Hung-Yu; Li, Cheng-Bin

2016-07-01

In this article, a new-type three-phase inductive-coupled structure is proposed for the contactless plug-in hybrid electric vehicle (PHEV) charging system regarding with SAE J-1773. Four possible three-phase core structures are presented and subsequently investigated by the finite element analysis. To study the correlation between the core geometric parameter and the coupling coefficient, the magnetic equivalent circuit model of each structure is also established. In accordance with the simulation results, the low reluctance and the sharing of flux path in the core material are achieved by the proposed inductive-coupled structure with an arc-shape and three-phase symmetrical core material. It results in a compensation of the magnetic flux between each phase and a continuous flow of the output power in the inductive-coupled structure. Higher coupling coefficient between inductive-coupled structures is achieved. A comparison of coupling coefficient, mutual inductance, and self-inductance between theoretical and measured results is also performed to verify the proposed model. A 1 kW laboratory scale prototype of the contactless PHEV charging system with the proposed arc-shape three-phase inductive-coupled structure is implemented and tested. An overall system efficiency of 88% is measured when two series lithium iron phosphate battery packs of 25.6 V/8.4 Ah are charged.

Stripe-like nanoscale structural phase separation in superconducting BaPb 1-xBi xO 3

DOE PAGES

Giraldo-Gallo, P.; Zhang, Y.; Parra, C.; ...

2015-09-16

The phase diagram of BaPb 1-xBi xO 3 exhibits a superconducting “dome” in the proximity of a charge density wave phase. For the superconducting compositions, the material coexists as two structural polymorphs. Here we show, via high resolution transmission electron microscopy, that the structural dimorphism is accommodated in the form of partially disordered nanoscale stripes. Identification of the morphology of the nanoscale structural phase separation enables determination of the associated length scales, which we compare to the Ginzburg-Landau coherence length. Thus, we find that the maximum T c occurs when the superconducting coherence length matches the width of the partiallymore » disordered stripes, implying a connection between the structural phase separation and the shape of the superconducting dome.« less

Theoretical model for the discrete flexoelectric effect and a description for the sequence of intermediate smectic phases with increasing periodicity.

PubMed

Emelyanenko, A V; Osipov, M A

2003-11-01

A general phenomenological description and a simple molecular model is proposed for the "discrete" flexoelectric effect in tilted smectic liquid crystal phases. This effect defines a polarization in a smectic layer induced by a difference of director orientations in the two smectic layers adjacent to it. It is shown that the "discrete" flexoelectric effect is determined by electrostatic dipole-quadrupole interaction between positionally correlated molecules located in adjacent smectic layers, while the corresponding dipole-dipole interaction is responsible for a coupling between polarization vectors in neighboring layers. It is shown that a simple phenomenological model of a ferrielectric smectic liquid crystal, which has recently been proposed in the literature, can be used to describe the whole sequence of intermediate chiral smectic C* phases with increasing periods, and to determine the nonplanar structure of each phase without additional assumptions. In this sequence the phases with three- and four-layer periodicities have the same structure, as observed in the experiment. The theory predicts also the structure of intermediate phases with longer periods that have not been studied experimentally so far. The structures of intermediate phases with periodicities of up to nine layers are presented together with the phase diagrams, and a relationship between molecular chirality and the three-dimensional structure of intermediate phases is discussed. It is considered also how the coupling between the spontaneous polarization determined by molecular chirality and the induced polarization determined by the discrete flexoelectric effect stabilizes the nonplanar structure of intermediate phases.

Acquisition, capitalization, modeling and sharing of volcanic and seismic monitoring data at La Réunion Island

NASA Astrophysics Data System (ADS)

Boissier, Patrice; Di Muro, Andrea; Henriette, Laura; Rivière, Audrey; Roult, Geneviève; Agrinier, Pierre; Beauducel, François; Davoine, Paule-Annick; Dyon, Joël; Ferrazzini, Valérie; Kowalski, Philippe; Lemarchand, Arnaud; Nercessian, Alexandre; Peltier, Aline; Shapiro, Nikolai; Staudacher, Thomas; Villeneuve, Nicolas

2014-05-01

Piton de la Fournaise is one of the most active volcano in the world with an average of one eruption every 9 months, and rest periods of short duration (only 2 periods exceeded 5 years during the last 50 years). Even if 97 percent of the recent volcanic activity took place within the uninhabited Enclos Fouque caldera; only 3 eruptions occurred outside of the caldera, threatening inhabited areas. The distal 1977 eruption (NE rift), the lave flows of which passed through Piton Sainte-Rose village, destroying houses and forced the evacuation of part of the population, triggered an awareness of volcanic risk at Piton de la Fournaise and led to the creation of the Piton de la Fournaise Volcano Observatory (OVPF - IPGP) in 1979. During thirty-five years, the continuous monitoring networks (geophysical and geochemical), measurements campaigns and phenomenological observation (e.g. imaging and films in the visible and infrared) have built an extraordinary amount of heterogeneous data in terms of format (digital and analog) and storage supports (paper, magnetic tape, floppy disk, etc.). With the aim to structure and distribute the data acquired since its establishment the OVPF conceived an innovative project for "Acquisition, capitalization, modeling and sharing of volcanic and seismic monitoring data at La Reunion Island". The project is funded by the European Regional Development Fund - Convergence (2007-2013) and supported by the local government (Region Reunion). The project is structured around two main parts : - Action 1: acquisition, digitizing and data backup, - Action 2: development of an Information System. On one hand, the project has the ultimate goal to facilitate the distribution of high quality data and long time series to the largest number of beneficiaries of the local, national and international scientific community and of the public and private sectors through IPGP Internet portals (IPGP Data Center and VOLOBSIS). On the other hand, the information system will allow a complete and modern analysis of all the datasets acquired by the OVPF (notably through the WebObs system), and thus improve the understanding of volcanism and seismicity at La Reunion Island.

Absence of pressure-induced amorphization in LiKSO4.

PubMed

Machon, D; Pinheiro, C B; Bouvier, P; Dmitriev, V P; Crichton, W A

2010-08-11

Angle-resolved synchrotron radiation diffraction was used to investigate lithium potassium sulfate (LiKSO(4)) crystals under high pressure. We confirm that the title compound undergoes three phase transitions, α →β, β → γ and γ →δ, observed at around 0.8 GPa, 4.0 GPa and 7.0 GPa, respectively. Two competitive structures are proposed for the β-phase after powder diffraction data Rietveld refinements: an orthorhombic (space group Cmc 2(1)) or a monoclinic (space group Cc) structure. These structures correspond to the models of the low temperature phases. The γ-phase is indexed by a monoclinic structure. Finally, the δ-phase is found to be highly disordered. No evidence of any pressure-induced amorphous phase was observed up to 24 GPa, even under imposed highly non-hydrostatic conditions, contrary to previous propositions.

Pressure-induced structural transition in chalcopyrite ZnSiP 2

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

Bhadram, Venkata S.; Krishna, Lakshmi; Toberer, Eric S.

The pressure-dependent phase behavior of semiconducting chalcopyrite ZnSiP 2 was studied up to 30 GPa using in situ X-ray diffraction and Raman spectroscopy in a diamond-anvil cell. A structural phase transition to the rock salt type structure was observed between 27 and 30 GPa, which is accompanied by soft phonon mode behavior and simultaneous loss of Raman signal and optical transmission through the sample. The high-pressure rock salt type phase possesses cationic disorder as evident from broad features in the X-ray diffraction patterns. The behavior of the low-frequency Raman modes during compression establishes a two-stage, order-disorder phase transition mechanism. Themore » phase transition is partially reversible, and the parent chalcopyrite structure coexists with an amorphous phase upon slow decompression to ambient conditions.« less

Elevated-Confined Phase-Change Random Access Memory Cells

NASA Astrophysics Data System (ADS)

Lee; Koon, Hock; Shi; Luping; Zhao; Rong; Yang; Hongxin; Lim; Guan, Kian; Li; Jianming; Chong; Chong, Tow

2010-04-01

A new elevated-confined phase-change random access memory (PCRAM) cell structure to reduce power consumption was proposed. In this proposed structure, the confined phase-change region is sitting on top of a small metal column enclosed by a dielectric at the sides. Hence, more heat can be effectively sustained underneath the phase-change region. As for the conventional structure, the confined phase-change region is sitting directly above a large planar bottom metal electrode, which can easily conduct most of the induced heat away. From simulations, a more uniform temperature profile around the active region and a higher peak temperature at the phase-change layer (PCL) in an elevated-confined structure were observed. Experimental results showed that the elevated-confined PCRAM cell requires a lower programming power and has a better scalability than a conventional confined PCRAM cell.

First-principles study of high-pressure structural phase transitions of magnesium

NASA Astrophysics Data System (ADS)

Liu, Qiuxiang; Fan, Changzeng; Zhang, Ruijun

2009-06-01

The structural phase transitions for the hcp, bcc, dhcp, and fcc of magnesium at hydrostatic pressures larger than about 200 GPa at zero temperature are studied by first-principles total energy calculations. The plane-wave basis pseudopotential method has been adopted, in which the generalized gradient approximation implanted in the CASTEP code is employed. By comparing the enthalpy differences of the hcp structure with other three structures under different pressures, it can be seen that when the pressure becomes higher than about 65, 130, and 190 GPa, the bcc, dhcp, and fcc structures become more stable relative to the hcp structure, respectively. Due to the lowest enthalpy value of the bcc structure above 65 GPa, it can be deduced that magnesium may transform to the bcc structure from the ground state hcp structure around 65 GPa, but no further phase transitions occur without additionally applying high temperature. In addition, the equation of state of magnesium is calculated, indicating that bcc structure is the softest phase.

Exploring the coordination change of vanadium and structure transformation of metavanadate MgV2O6 under high pressure

PubMed Central

Tang, Ruilian; Li, Yan; Xie, Shengyi; Li, Nana; Chen, Jiuhua; Gao, Chunxiao; Zhu, Pinwen; Wang, Xin

2016-01-01

Raman spectroscopy, synchrotron angle-dispersive X-ray diffraction (ADXRD), first-principles calculations, and electrical resistivity measurements were carried out under high pressure to investigate the structural stability and electrical transport properties of metavanadate MgV2O6. The results have revealed the coordination change of vanadium ions (from 5+1 to 6) at around 4 GPa. In addition, a pressure-induced structure transformation from the C2/m phase to the C2 phase in MgV2O6 was detected above 20 GPa, and both phases coexisted up to the highest pressure. This structural phase transition was induced by the enhanced distortions of MgO6 octahedra and VO6 octahedra under high pressure. Furthermore, the electrical resistivity decreased with pressure but exhibited different slope for these two phases, indicating that the pressure-induced structural phase transitions of MgV2O6 was also accompanied by the obvious changes in its electrical transport behavior. PMID:27924843

High pressure and temperature induced structural and elastic properties of lutetium chalcogenides

NASA Astrophysics Data System (ADS)

Shriya, S.; Kinge, R.; Khenata, R.; Varshney, Dinesh

2018-04-01

The high-pressure structural phase transition and pressure as well temperature induced elastic properties of rock salt to CsCl structures in semiconducting LuX (X = S, Se, and Te) chalcogenides compound have been performed using effective interionic interaction potential with emphasis on charge transfer interactions and covalent contribution. Estimated values of phase transition pressure and the volume discontinuity in pressure-volume phase diagram indicate the structural phase transition from ZnS to NaCl structure. From the investigations of elastic constants the pressure (temperature) dependent volume collapse/expansion, melting temperature TM, Hardness (HV), and young modulus (E) the LuX lattice infers mechanical stiffening, and thermal softening.

Mesoscopic structural phase progression in photo-excited VO 2 revealed by time-resolved x-ray diffraction microscopy

DOE PAGES

Zhu, Yi; Cai, Zhonghou; Chen, Pice; ...

2016-02-26

Dynamical phase separation during a solid-solid phase transition poses a challenge for understanding the fundamental processes in correlated materials. Critical information underlying a phase transition, such as localized phase competition, is difficult to reveal by measurements that are spatially averaged over many phase seperated regions. The ability to simultanousely track the spatial and temporal evolution of such systems is essential to understanding mesoscopic processes during a phase transition. Using state-of- the-art time-resolved hard x-ray diffraction microscopy, we directly visualize the structural phase progression in a VO 2 film upon photoexcitation. Following a homogenous in-plane optical excitation, the phase transformation ismore » initiated at discrete sites and completed by the growth of one lattice structure into the other, instead of a simultaneous isotropic lattice symmetry change. The time-dependent x-ray diffraction spatial maps show that the in-plane phase progression in laser-superheated VO 2 is via a displacive lattice transformation as a result of relaxation from an excited monoclinic phase into a rutile phase. The speed of the phase front progression is quantitatively measured, which is faster than the process driven by in-plane thermal diffusion but slower than the sound speed in VO 2. Lastly, the direct visualization of localized structural changes in the time domain opens a new avenue to study mesoscopic processes in driven systems.« less

Mesoscopic structural phase progression in photo-excited VO2 revealed by time-resolved x-ray diffraction microscopy

NASA Astrophysics Data System (ADS)

Zhu, Yi; Cai, Zhonghou; Chen, Pice; Zhang, Qingteng; Highland, Matthew J.; Jung, Il Woong; Walko, Donald A.; Dufresne, Eric M.; Jeong, Jaewoo; Samant, Mahesh G.; Parkin, Stuart S. P.; Freeland, John W.; Evans, Paul G.; Wen, Haidan

2016-02-01

Dynamical phase separation during a solid-solid phase transition poses a challenge for understanding the fundamental processes in correlated materials. Critical information underlying a phase transition, such as localized phase competition, is difficult to reveal by measurements that are spatially averaged over many phase separated regions. The ability to simultaneously track the spatial and temporal evolution of such systems is essential to understanding mesoscopic processes during a phase transition. Using state-of-the-art time-resolved hard x-ray diffraction microscopy, we directly visualize the structural phase progression in a VO2 film upon photoexcitation. Following a homogenous in-plane optical excitation, the phase transformation is initiated at discrete sites and completed by the growth of one lattice structure into the other, instead of a simultaneous isotropic lattice symmetry change. The time-dependent x-ray diffraction spatial maps show that the in-plane phase progression in laser-superheated VO2 is via a displacive lattice transformation as a result of relaxation from an excited monoclinic phase into a rutile phase. The speed of the phase front progression is quantitatively measured, and is faster than the process driven by in-plane thermal diffusion but slower than the sound speed in VO2. The direct visualization of localized structural changes in the time domain opens a new avenue to study mesoscopic processes in driven systems.

Mesoscopic structural phase progression in photo-excited VO2 revealed by time-resolved x-ray diffraction microscopy.

PubMed

Zhu, Yi; Cai, Zhonghou; Chen, Pice; Zhang, Qingteng; Highland, Matthew J; Jung, Il Woong; Walko, Donald A; Dufresne, Eric M; Jeong, Jaewoo; Samant, Mahesh G; Parkin, Stuart S P; Freeland, John W; Evans, Paul G; Wen, Haidan

2016-02-26

Dynamical phase separation during a solid-solid phase transition poses a challenge for understanding the fundamental processes in correlated materials. Critical information underlying a phase transition, such as localized phase competition, is difficult to reveal by measurements that are spatially averaged over many phase separated regions. The ability to simultaneously track the spatial and temporal evolution of such systems is essential to understanding mesoscopic processes during a phase transition. Using state-of-the-art time-resolved hard x-ray diffraction microscopy, we directly visualize the structural phase progression in a VO2 film upon photoexcitation. Following a homogenous in-plane optical excitation, the phase transformation is initiated at discrete sites and completed by the growth of one lattice structure into the other, instead of a simultaneous isotropic lattice symmetry change. The time-dependent x-ray diffraction spatial maps show that the in-plane phase progression in laser-superheated VO2 is via a displacive lattice transformation as a result of relaxation from an excited monoclinic phase into a rutile phase. The speed of the phase front progression is quantitatively measured, and is faster than the process driven by in-plane thermal diffusion but slower than the sound speed in VO2. The direct visualization of localized structural changes in the time domain opens a new avenue to study mesoscopic processes in driven systems.

Bulk and dispersed aqueous behaviour of an endogenous lipid, selachyl alcohol: Effect of Tween 80 and Pluronic F127 on nanostructure.

PubMed

Younus, Mohammad; Hawley, Adrian; Boyd, Ben J; Rizwan, Shakila B

2018-05-07

Tween 80 has been reported to provide a means of targeting drug nanocarriers to the blood- brain barrier. This study investigated the influence of addition of Tween 80 on the formation of different bulk and dispersed lyotropic liquid crystalline phases in selachyl alcohol-based systems. The effect of increasing concentrations of Tween 80 and Pluronic F127 (as a control) (0-25% w/w relative to SA) on the bulk phase behaviour and dispersions of selachyl alcohol (SA) were investigated using small angle X-ray scattering, dynamic light scattering, and cryogenic transmission electron microscopy. The addition of Tween 80 to SA bulk phase samples triggered concentration-dependent phase changes with the structure sequentially evolving from a reverse hexagonal phase (H 2 ) to a mixed H 2 and inverse bicontinuous cubic (V 2 ) then a V 2 phase alone. In contrast, the addition of Pluronic F127 resulted in a phase change from H 2 phase to a mixed lamellar and H 2 phase system. The mean particle size of internally structured particles was 125-190 nm with low polydispersity indices (0.1-0.2). Nanoparticles retained the bulk phase internal structure in the presence of Tween 80, whereas in the presence of Pluronic F127, the additional lamellar phase that formed in bulk phase systems was not observed. Cryo-TEM revealed the formation of cubosomes and hexosomes by SA in excess water in the presence of Tween 80 and Pluronic F127 respectively. In summary, it was shown that stabilisation of SA dispersions using Tween 80 resulted in a decrease in negative curvature leading to a change in internal structure from H 2 to V 2 phase. The studies provide the core understanding of particle structure to progress these structured lipid nanocarriers into delivery studies with Tween 80 as a mechanism to target the blood-brain barrier. Crown Copyright © 2018. Published by Elsevier B.V. All rights reserved.

Blue phase liquid crystal phase transition for cyano compound chiral nematic liquid crystal mixtures with three two-ring core structures and chiral dopant concentrations

NASA Astrophysics Data System (ADS)

Shin, Jaesun; Kim, Beomjong; Jung, Wansu; Fahad, Mateen; Park, SangJin; Hong, Sung-Kyu

2017-05-01

Blue phase (BP) temperature range of a chiral nematic liquid crystal (LC) mixture is dependent upon the host nematic LC chemical structure and chiral dopant concentration. In this study, we investigated BP phase transition behaviour and helical twisting power (HTP) using three chiral dopant concentrations of cyano compound chiral nematic LC mixtures incorporating three two-ring core structures in the host nematic LCs. The effect of the host nematic LC core structure, HTP and chiral dopant concentrations were considered on BP temperature ranges, for two types of complete BPI and BPII without isotropic phase (Iso) and two types of coexistence state of BPI+Iso and BPII+Iso.

Pressure induced phase transition in CdTe nanowire: A DFT study

NASA Astrophysics Data System (ADS)

Bhatia, Manjeet; Khan, Md. Shahzad; Srivastava, Anurag

2018-05-01

We have studied structural phase transition and electronic properties of CdTe nanowires in their wurtzite (B4) to rocksalt (B1) phase by first principles density functional calculations using SIESTA code. Nanowires are derived from wurtzite and rocksalt phase of bulk CdTe with growth direction along 100 planes. We observed structural phase transition from B4→B1 at 4.79 GPa. Wurtzite structure is found to have band gap 2.30 eV while rocksalt is metallic in nature. Our calculated lattice constant (4.55 Å for B4 and 5.84 Å for B1), transition pressure (4.79 GPa) and electronic structure results are in close agreement with the previous calculations on bulk and nanostructures.

Study of a structural phase transition by two dimensional Fourier transform NMR method

NASA Astrophysics Data System (ADS)

Trokiner, A.; Man, P. P.; Théveneau, H.; Papon, P.

1985-09-01

The fluoroperovskite RbCaF 3 undergoes a structural phase transition at 195.5 K, from a cubic phase where the 87Rb nuclei have no quadrupolar interaction ( ωQ= 0) to a tetragonal phase where ω Q ≠ O. The transition is weakly first-order. A two-dimensional FT NMR experiment has been performed on 87Rb ( I = {3}/{2}) in a single crystal in both phases and in the vicinity of the phase transition. Our results show the coexistence of the two phases at the phase transition.

Magnetic Ordering of Erbium and Uranium NICKEL(2) SILICON(2) by Neutron Scattering

NASA Astrophysics Data System (ADS)

Lin, Hong

The magnetic ordering has been studied in UNi _2Si_2 and erbium single crystals by elastic neutron scattering. Abundant results are given regarding the magnetic structure, magnetic phase transitions, and the effect of a magnetic field on these properties. Three ordered phases are observed in UNi _2Si_2. They have been determined to be an incommensurate longitudinal spin density wave with a magnetic wave vector around q = 0.74c ^* in the high temperature phase, a simple body-centred antiferromagnet in the intermediate temperature phase, and a square wave in the low temperature phase. This square wave can be viewed equivalently as a longitudinal spin density wave with q = 2/3c ^* superimposed on a ferromagnetic component. Hysteresis and sample dependence are observed in the low-temperature phase transition. The two lower temperature phase transitions are both first order. The transition to paramagnetism is second order with a critical exponent beta = 0.35 +/- 0.03. When a magnetic field is applied along the c axis, the intermediate temperature phase is destabilised and disappears above a field of 3.5T. Although there is no new phase induced by the field, there exists a reentrant point where the three ordered phases can coexist. Erbium has three distinct ordered phases: the cone phase at low temperatures, the c-axis modulated (CAM) phase at higher temperatures, and the intermediate phase with moments modulated both along c and perpendicular to c. Within these phases the modulation of the moments may lock in to the lattice. The observed weak harmonics of the wave vector q in the basal plane for the cone phase and the q = 1/4c^* structure in the intermediate phase can be explained by a basal-plane spin slip model. The effect of magnetic field along the c axis on the magnetic structure is to stabilise the cone phase and to destabilise the intermediate phase. A new lock-in structure with q = 1/4c^* in the cone phase is induced by fields above 1.8T. The presence of the field also stabilises the lock-in structure with q = 2/7c^* in both the intermediate and the CAM phases.

Conceptional Considerations to Energy Balance and Global Warming Potential of Soil Bioengineering Structures

NASA Astrophysics Data System (ADS)

von der Thannen, Magdalena; Paratscha, Roman; Smutny, Roman; Lampalzer, Thomas; Strauss, Alfred; Rauch, Hans Peter

2016-04-01

Nowadays there is a high demand on engineering solutions considering not only technical aspects but also ecological and aesthetic values. In this context soil bioengineering techniques are often used as standalone solutions or in combination with conventional engineering structures. It is a construction technique that uses biological components for hydraulic and civil engineering solutions. In general it pursues the same objectives as conventional civil engineering structures. Currently the used assessment methods for soil bioengineering structures are referencing technically, ecologically and socio-economically. In a modern engineering approach additionally, environmental impacts and potential added values should be considered. The research project E-Protect aims at developing Environmental Life Cycle Assessment (LCA) models for this special field of alpine protective constructions. Both, the Cumulative Energy Demand (CED) and the Global Warming Potential (GWP) should be considered in an Environmental LCA over the whole life cycle of an engineering structure. The life cycle itself can be divided into three phases: the construction phase, the use phase and the end of life phase. The paper represents a concept to apply an Environmental LCA model for soil bioengineering structures. Beside the construction phase of these structures particular attention will be given to the use phase. It is not only important in terms of engineering effects but also plays an important role for positive carbon footprint due to the growing plants of soil bioengineering structures in contrast to conventional structures. Innovative Environmental LCA models will be applied to soil bioengineering structures which provide a new transparency for the responsible planners and stakeholders, by pointing out the total consumption of resources in all construction phases and components.

Selenium single-wavelength anomalous diffraction de novo phasing using an X-ray-free electron laser

DOE PAGES

Hunter, Mark S.; Yoon, Chun Hong; DeMirci, Hasan; ...

2016-11-04

Structural information about biological macromolecules near the atomic scale provides important insight into the functions of these molecules. To date, X-ray crystallography has been the predominant method used for macromolecular structure determination. However, challenges exist when solving structures with X-rays, including the phase problem and radiation damage. X-ray-free electron lasers (X-ray FELs) have enabled collection of diffraction information before the onset of radiation damage, yet the majority of structures solved at X-ray FELs have been phased using external information via molecular replacement. De novo phasing at X-ray FELs has proven challenging due in part to per-pulse variations in intensity andmore » wavelength. Here we report the solution of a selenobiotinyl-streptavidin structure using phases obtained by the anomalous diffraction of selenium measured at a single wavelength (Se-SAD) at the Linac Coherent Light Source. Finally, our results demonstrate Se-SAD, routinely employed at synchrotrons for novel structure determination, is now possible at X-ray FELs.« less

Structural, mechanical, and magnetic properties of ferrite-austenite mixture in evaporated 304 stainless steel thin films

NASA Astrophysics Data System (ADS)

Merakeb, Noureddine; Messai, Amel; Djelloul, Abdelkader; Ayesh, Ahmad I.

2015-11-01

In this paper, we investigate the structure, composition, magnetic, and mechanical properties of stainless steel thin films formed by thermal evaporation technique. These thin films reveal novel structural and physical properties where they were found to consist of nanocrystals that are ~90 % body-centred cubic crystal structure which holds ferromagnetic properties (α-phase), and ~10 % face-centred cubic crystal structure which is paramagnetic at room temperature (γ-phase). The presence of the above phases was quantified by X-ray diffraction, transmission electron microscopy, and conversion electron Mössbauer spectroscopy. The magnetic properties were evaluated by a superconducting quantum interference device magnetometer, and they confirmed the dual-phase crystal structure of the stainless thin films, where the presence of γ-phase reduced the magnetization of the produced thin films. In addition, the fabricated stainless steel thin films did not contain micro-cracks, and they exhibit a tensile stress of about 1.7 GPa, hardness of 7.5 GPa, and elastic modulus of 104 GPa.

Atomic structure and pressure-induced phase transformations in a phase-change alloy

NASA Astrophysics Data System (ADS)

Xu, Ming

Phase-change materials exist in at least two phases under the ambient condition. One is the amorphous state and another is crystalline phase. These two phases have vastly different physical properties, such as electrical conductivity, optical reflectivity, mass density, thermal conductivity, etc. The distinct physical properties and the fast transformation between amorphous and crystalline phases render these materials the ability to store information. For example, the DVD and the Blue-ray discs take advantage of the optical reflectivity contrast, and the newly developed solid-state memories make use of the large conductivity difference. In addition, both the amorphous and crystalline phases in phase-change memories (PCMs) are very stable at room temperature, and they are easy to be scaled up in the production of devices with large storage density. All these features make phase-change materials the ideal candidates for the next-generation memories. Despite of the fast development of these new memory materials in industry, many fundamental physics problems underlying these interesting materials are still not fully resolved. This thesis is aiming at solving some of the key issues in phase-change materials. Most of phase-change materials are composed of Ge-Sb-Te constituents. Among all these Ge-Sb-Te based materials, Ge2Sb2Te5 (GST) has the best performance and has been frequently studied as a prototypical phase-change material. The first and foremost issue is the structure of the two functioning phases. In this thesis, we investigate the unique atomic structure and bonding nature of amorphous GST (a-GST) and crystalline GST ( c-GST), using ab initio tools and X-ray diffraction (XRD) methods. Their local structures and bonding scenarios are then analyzed using electronic structure calculations. In order to gain insight into the fast phase transformation mechanism, we also carried out a series of high-pressure experiments on GST. Several new polymorphs and their transformations have been revealed under high pressure via in situ XRD and in situ electrical resistivity measurements. The mechanisms of the structural and property changes have been uncovered via ab initio molecular dynamics simulations.

Method for removing atomic-model bias in macromolecular crystallography

DOEpatents

Terwilliger, Thomas C [Santa Fe, NM

2006-08-01

Structure factor bias in an electron density map for an unknown crystallographic structure is minimized by using information in a first electron density map to elicit expected structure factor information. Observed structure factor amplitudes are combined with a starting set of crystallographic phases to form a first set of structure factors. A first electron density map is then derived and features of the first electron density map are identified to obtain expected distributions of electron density. Crystallographic phase probability distributions are established for possible crystallographic phases of reflection k, and the process is repeated as k is indexed through all of the plurality of reflections. An updated electron density map is derived from the crystallographic phase probability distributions for each one of the reflections. The entire process is then iterated to obtain a final set of crystallographic phases with minimum bias from known electron density maps.

RAPID COMMUNICATION: Study of superstructure II in multiferroic BiMnO3

NASA Astrophysics Data System (ADS)

Ge, Bing-Hui; Li, Fang-Hua; Li, Xue-Ming; Wang, Yu-Mei; Chi, Zhen-Hua; Jin, Chang-Qing

2008-09-01

The crystal structure of the minor phase, named superstructure II, existing in multiferroic compound BiMnO3 has been studied by electron diffraction and high-resolution transmission electron microscopy. Domains of major and minor phases coexisting in BiMnO3 were observed in high-resolution electron microscope images. The unit cell of minor phase was determined to be triclinic with the size 4×4×4 times as large as the distorted perovskite subcell. The [111] and [10bar 1] projected structure maps of the minor phase have been derived from the corresponding images by means of the image processing. A possible rough three-dimensional (3D) structure model was proposed based on the 3D structural information extracted from the two projected structure maps. Since there is no inversion centre in the proposed model, the minor phase may contribute to the ferroelectric property of BiMnO3.

Nonequilibrium Phase Precursors during a Photoexcited Insulator-to-Metal Transition in V2O3

NASA Astrophysics Data System (ADS)

Singer, Andrej; Ramirez, Juan Gabriel; Valmianski, Ilya; Cela, Devin; Hua, Nelson; Kukreja, Roopali; Wingert, James; Kovalchuk, Olesya; Glownia, James M.; Sikorski, Marcin; Chollet, Matthieu; Holt, Martin; Schuller, Ivan K.; Shpyrko, Oleg G.

2018-05-01

Here, we photoinduce and directly observe with x-ray scattering an ultrafast enhancement of the structural long-range order in the archetypal Mott system V2O3 . Despite the ultrafast increase in crystal symmetry, the change of unit cell volume occurs an order of magnitude slower and coincides with the insulator-to-metal transition. The decoupling between the two structural responses in the time domain highlights the existence of a transient photoinduced precursor phase, which is distinct from the two structural phases present in equilibrium. X-ray nanoscopy reveals that acoustic phonons trapped in nanoscale twin domains govern the dynamics of the ultrafast transition into the precursor phase, while nucleation and growth of metallic domains dictate the duration of the slower transition into the metallic phase. The enhancement of the long-range order before completion of the electronic transition demonstrates the critical role the nonequilibrium structural phases play during electronic phase transitions in correlated electrons systems.

A graphically oriented specification language for automatic code generation. GRASP/Ada: A Graphical Representation of Algorithms, Structure, and Processes for Ada, phase 1

NASA Technical Reports Server (NTRS)

Cross, James H., II; Morrison, Kelly I.; May, Charles H., Jr.; Waddel, Kathryn C.

1989-01-01

The first phase of a three-phase effort to develop a new graphically oriented specification language which will facilitate the reverse engineering of Ada source code into graphical representations (GRs) as well as the automatic generation of Ada source code is described. A simplified view of the three phases of Graphical Representations for Algorithms, Structure, and Processes for Ada (GRASP/Ada) with respect to three basic classes of GRs is presented. Phase 1 concentrated on the derivation of an algorithmic diagram, the control structure diagram (CSD) (CRO88a) from Ada source code or Ada PDL. Phase 2 includes the generation of architectural and system level diagrams such as structure charts and data flow diagrams and should result in a requirements specification for a graphically oriented language able to support automatic code generation. Phase 3 will concentrate on the development of a prototype to demonstrate the feasibility of this new specification language.

Re Doping in 2D Transition Metal Dichalcogenides as a New Route to Tailor Structural Phases and Induced Magnetism

DOE PAGES

Kochat, Vidya; Apte, Amey; Hachtel, Jordan A.; ...

2017-10-09

Alloying in 2D results in the development of new, diverse, and versatile systems with prospects in bandgap engineering, catalysis, and energy storage. Tailoring structural phase transitions using alloying is a novel idea with implications in designing all 2D device architecture as the structural phases in 2D materials such as transition metal dichalcogenides are correlated with electronic phases. In this paper, this study develops a new growth strategy employing chemical vapor deposition to grow monolayer 2D alloys of Re-doped MoSe 2 with show composition tunable structural phase variations. The compositions where the phase transition is observed agree well with the theoreticalmore » predictions for these 2D systems. Finally, it is also shown that in addition to the predicted new electronic phases, these systems also provide opportunities to study novel phenomena such as magnetism which broadens the range of their applications.« less

Multiple topological electronic phases in superconductor MoC

NASA Astrophysics Data System (ADS)

Huang, Angus; Smith, Adam D.; Schwinn, Madison; Lu, Qiangsheng; Chang, Tay-Rong; Xie, Weiwei; Jeng, Horng-Tay; Bian, Guang

2018-05-01

The search for a superconductor with non-s -wave pairing is important not only for understanding unconventional mechanisms of superconductivity but also for finding new types of quasiparticles such as Majorana bound states. Materials with both topological band structure and superconductivity are promising candidates as p +i p superconducting states can be generated through pairing the spin-polarized topological surface states. In this work, the electronic and phonon properties of the superconductor molybdenum carbide (MoC) are studied with first-principles methods. Our calculations show that nontrivial band topology and s -wave Bardeen-Cooper-Schrieffer superconductivity coexist in two structural phases of MoC, namely the cubic α and hexagonal γ phases. The α phase is a strong topological insulator and the γ phase is a topological nodal-line semimetal with drumhead surface states. In addition, hole doping can stabilize the crystal structure of the α phase and elevate the transition temperature in the γ phase. Therefore, MoC in different structural forms can be a practical material platform for studying topological superconductivity.

10.2 Thermal-Structural Testing

NASA Technical Reports Server (NTRS)

Hudson, Larry D.

2008-01-01

Objective: Test a C/SiC Ruddervator Subcomponent under relevant thermal, mechanical & dynamic loading a) Thermal-structural mission cycling for re-entry and hypersonic cruise conditions; b) High-temperature modal survey to study the effect of heating on mode shapes, natural frequencies and damping. Supports NASA ARMD Hypersonics Material & Structures Program. Partners: NASA Dryden / Langley / Glenn, Lockheed-Martin, Materials Research & Design, GE CCP Test Phases - Phase 1: Acoustic-Vibration Testing (LaRC) completed - Phase 2: Thermal-Mechanical Testing (DFRC) in assembly - Phase 3: Mechanical Testing (DFRC) in assembly

Phase equilibria and crystal chemistry of rubidium niobates and rubidium tantalates

NASA Technical Reports Server (NTRS)

Minor, D. B.; Roth, R. S.; Parker, H. S.; Brower, W. S.

1977-01-01

The phase equilibria relations and crystal chemistry of portions of the Rb2O-Nb2O5 and Rb2O-Ta2O5 systems were investigated for structures potentially useful as ionic conductors. A hexagonal tungsten bronze-type (HTB) structure was found in both systems as well as three hexagonal phases with mixed HTB-pyrochlore type structures. Ion exchange experiments between various alkali ions are described for several phases. Unit cell dimensions and X-ray diffraction powder patterns are reported.

Monitoring interactions between red-cockaded woodpeckers and southern flying squirrels.

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

Risch, Thomas S; Loeb, Susan C

2004-12-31

Risch, Thomas S., and Susan C. Loeb. 2004. Monitoring interactions between red-cockaded woodpeckers and southern flying squirrels. In: Red-cockaded woodpecker; Road to Recovery. Proceedings of the 4th Red-cockaded woodpecker Symposium. Ralph Costa and Susan J. Daniels, eds. Savannah, Georgia. January, 2003. Chapter 8. Cavities, Cavity Trees, and Cavity Communities. Pp 504-505. Abstract: Although several studies have suggested that southern flying squirrels (Glaucomys volans) may have a significant negative impact on red-cockades woodpeckers (Picoides borealsi) (Loeb and Hooper 1997, Laves and Loeb 1999), the nature of the interactions between the species remains unclear. Particularly lacking are data that address if southernmore » flying squirrels directly usurp red-cockaded woodpecker s from cavities, or simply occupy cavities previously abandoned by red-cockaded woodpeckers. Ridley et al. (1997) observed the displacement of a red-cockaded woodpecker by a southern flying squirrel that was released after being captured. Observations of nocturnal displacements of red-cockaded woodpeckers by flying squirrels, however, are lacking. Due to the difficulty of observing interspecific interactions, determining the mechanisims by which flying squirrels impact red-cockaded woodpeckers is problematic.« less

Practical skills teaching in contemporary surgical education: how can educational theory be applied to promote effective learning?

PubMed

Sadideen, Hazim; Kneebone, Roger

2012-09-01

Teaching practical skills is a core component of undergraduate and postgraduate surgical education. It is crucial to optimize our current learning and teaching models, particularly in a climate of decreased clinical exposure. This review explores the role of educational theory in promoting effective learning in practical skills teaching. Peer-reviewed publications, books, and online resources from national bodies (eg, the UK General Medical Council) were reviewed. This review highlights several aspects of surgical education, modeling them on current educational theory. These include the following: (1) acquisition and retention of motor skills (Miller's triangle; Fitts' and Posner's theory), (2) development of expertise after repeated practice and regular reinforcement (Ericsson's theory), (3) importance of the availability of expert assistance (Vygotsky's theory), (4) learning within communities of practice (Lave and Wenger's theory), (5) importance of feedback in learning practical skills (Boud, Schon, and Endes' theories), and (6) affective component of learning. It is hoped that new approaches to practical skills teaching are designed in light of our understanding of educational theory. Copyright © 2012 Elsevier Inc. All rights reserved.

Modulated structure and molecular dissociation of solid chlorine at high pressures

NASA Astrophysics Data System (ADS)

Li, Peifang; Gao, Guoying; Ma, Yanming

2012-08-01

Among diatomic molecular halogen solids, high pressure structures of solid chlorine (Cl2) remain elusive and least studied. We here report first-principles structural search on solid Cl2 at high pressures through our developed particle-swarm optimization algorithm. We successfully reproduced the known molecular Cmca phase (phase I) at low pressure and found that it remains stable up to a high pressure 142 GPa. At 150 GPa, our structural searches identified several energetically competitive, structurally similar, and modulated structures. Analysis of the structural results and their similarity with those in solid Br2 and I2, it was suggested that solid Cl2 adopts an incommensurate modulated structure with a modulation wave close to 2/7 in a narrow pressure range 142-157 GPa. Eventually, our simulations at >157 GPa were able to predict the molecular dissociation of solid Cl2 into monatomic phases having body centered orthorhombic (bco) and face-centered cubic (fcc) structures, respectively. One unique monatomic structural feature of solid Cl2 is the absence of intermediate body centered tetragonal (bct) structure during the bco → fcc transition, which however has been observed or theoretically predicted in solid Br2 and I2. Electron-phonon coupling calculations revealed that solid Cl2 becomes superconductors within bco and fcc phases possessing a highest superconducting temperature of 13.03 K at 380 GPa. We further probed the molecular Cmca → incommensurate phase transition mechanism and found that the softening of the Ag vibrational (rotational) Raman mode in the Cmca phase might be the driving force to initiate the transition.

Stress reduction in phase-separated, cross-linked networks: influence of phase structure and kinetics of reaction

PubMed Central

Szczepanski, Caroline R.; Stansbury, Jeffrey W.

2014-01-01

A mechanism for polymerization shrinkage and stress reduction was developed for heterogeneous networks formed via ambient, photo-initiated polymerization-induced phase separation (PIPS). The material system used consists of a bulk homopolymer matrix of triethylene glycol dimethacrylate (TEGDMA) modified with one of three non-reactive, linear prepolymers (poly-methyl, ethyl and butyl methacrylate). At higher prepolymer loading levels (10–20 wt%) an enhanced reduction in both shrinkage and polymerization stress is observed. The onset of gelation in these materials is delayed to a higher degree of methacrylate conversion (~15–25%), providing more time for phase structure evolution by thermodynamically driven monomer diffusion between immiscible phases prior to network macro-gelation. The resulting phase structure was probed by introducing a fluorescently tagged prepolymer into the matrix. The phase structure evolves from a dispersion of prepolymer at low loading levels to a fully co-continuous heterogeneous network at higher loadings. The bulk modulus in phase separated networks is equivalent or greater than that of poly(TEGDMA), despite a reduced polymerization rate and cross-link density in the prepolymer-rich domains. PMID:25418999

Molded transparent photopolymers and phase shift optics for fabricating three dimensional nanostructures

DOE PAGES

Jeon, Seokwoo; Shir, Daniel J.; Nam, Yun Suk; ...

2007-05-08

This paper introduces approaches that combine micro/nanomolding, or nanoimprinting, techniques with proximity optical phase mask lithographic methods to form three dimensional (3D) nanostructures in thick, transparent layers of photopolymers. The results demonstrate three strategies of this type, where molded relief structures in these photopolymers represent (i) fine (<1 μm) features that serve as the phase masks for their own exposure, (ii) coarse features (>1 μm) that are used with phase masks to provide access to large structure dimensions, and (iii) fine structures that are used together phase masks to achieve large, multilevel phase modulations. Several examples are provided, together withmore » optical modeling of the fabrication process and the transmission properties of certain of the fabricated structures. Lastly, these approaches provide capabilities in 3D fabrication that complement those of other techniques, with potential applications in photonics, microfluidics, drug delivery and other areas.« less

Pressure-induced Lifshitz and structural transitions in NbAs and TaAs: experiments and theory

NASA Astrophysics Data System (ADS)

Nath Gupta, Satyendra; Singh, Anjali; Pal, Koushik; Muthu, D. V. S.; Shekhar, C.; Elghazali, Moaz A.; Naumov, Pavel G.; Medvedev, Sergey A.; Felser, C.; Waghmare, U. V.; Sood, A. K.

2018-05-01

High pressure Raman, resistivity and synchrotron x-ray diffraction studies on Weyl semimetals NbAs and TaAs have been carried out along with density functional theoretical (DFT) analysis to explain pressure induced structural and electronic topological phase transitions. The frequencies of first order Raman modes harden with increasing pressure, exhibiting a slope change at GPa for NbAs and GPa for TaAs. The resistivities of NbAs and TaAs exhibit a minimum at pressures close to these transition pressures and also a change in the bulk modulus is observed. Our first-principles calculations reveal that the transition is associated with an electronic Lifshitz transition at for NbAs while it is a structural phase transition from body centered tetragonal to hexagonal phase at for TaAs. Further, our DFT calculations show a structural phase transition at 24 GPa from body centered tetragonal phase to hexagonal phase.

Guided Lamb wave based 2-D spiral phased array for structural health monitoring of thin panel structures

NASA Astrophysics Data System (ADS)

Yoo, Byungseok

2011-12-01

In almost all industries of mechanical, aerospace, and civil engineering fields, structural health monitoring (SHM) technology is essentially required for providing the reliable information of structural integrity of safety-critical structures, which can help reduce the risk of unexpected and sometimes catastrophic failures, and also offer cost-effective inspection and maintenance of the structures. State of the art SHM research on structural damage diagnosis is focused on developing global and real-time technologies to identify the existence, location, extent, and type of damage. In order to detect and monitor the structural damage in plate-like structures, SHM technology based on guided Lamb wave (GLW) interrogation is becoming more attractive due to its potential benefits such as large inspection area coverage in short time, simple inspection mechanism, and sensitivity to small damage. However, the GLW method has a few critical issues such as dispersion nature, mode conversion and separation, and multiple-mode existence. Phased array technique widely used in all aspects of civil, military, science, and medical industry fields may be employed to resolve the drawbacks of the GLW method. The GLW-based phased array approach is able to effectively examine and analyze complicated structural vibration responses in thin plate structures. Because the phased sensor array operates as a spatial filter for the GLW signals, the array signal processing method can enhance a desired signal component at a specific direction while eliminating other signal components from other directions. This dissertation presents the development, the experimental validation, and the damage detection applications of an innovative signal processing algorithm based on two-dimensional (2-D) spiral phased array in conjunction with the GLW interrogation technique. It starts with general backgrounds of SHM and the associated technology including the GLW interrogation method. Then, it is focused on the fundamentals of the GLW-based phased array approach and the development of an innovative signal processing algorithm associated with the 2-D spiral phased sensor array. The SHM approach based on array responses determined by the proposed phased array algorithm implementation is addressed. The experimental validation of the GLW-based 2-D spiral phased array technology and the associated damage detection applications to thin isotropic plate and anisotropic composite plate structures are presented.

Structure, properties, and possible mechanisms of formation of diamond-like phases

NASA Astrophysics Data System (ADS)

Belenkov, E. A.; Greshnyakov, V. A.

2016-10-01

An analysis was performed for relations between the structural parameters and the properties of 36 carbon diamond-like phases consisting of atoms occupying crystallographically equivalent positions. It was found that the crystal lattices of these phases were in stressed states with respect to the cubic diamond lattice. The density of diamond-like phases, their sublimation energies, bulk moduli, hardnesses, and band gaps depend on the deformation parameters Def and Str. The most stable phases must be phases with minimal parameters Def and Str and also with ring parameter Rng that is most close to the corresponding parameter of cubic diamond. The structures and energy characteristics of fullerites, nanotube bundles, and graphene layers of which diamond-like phases can be obtained as a result of polymerization at high pressures have been calculated.

Highly responsive ground state of PbTaSe 2 : Structural phase transition and evolution of superconductivity under pressure

DOE PAGES

Kaluarachchi, Udhara S.; Deng, Yuhang; Besser, Matthew F.; ...

2017-06-09

Transport and magnetic studies of PbTaSe 2 under pressure suggest the existence of two superconducting phases with the low temperature phase boundary at ~ 0.25 GPa that is defined by a very sharp, first order, phase transition. The first order phase transition line can be followed via pressure dependent resistivity measurements, and is found to be near 0.12 GPa near room temperature. Transmission electron microscopy and x-ray diffraction at elevated temperatures confirm that this first order phase transition is structural and occurs at ambient pressure near ~ 425 K. The new, high temperature/high pressure phase has a similar crystal structuremore » and slightly lower unit cell volume relative to the ambient pressure, room temperature structure. Based on first-principles calculations this structure is suggested to be obtained by shifting the Pb atoms from the 1 a to 1 e Wyckoff position without changing the positions of Ta and Se atoms. PbTaSe 2 has an exceptionally pressure sensitive, structural phase transition with Δ T s / Δ P ≈ -1400 K/GPa near room temperature, and ≈ -1700 K/GPa near 4 K. This first order transition causes a ~ 1 K (~ 25 % ) steplike decrease in T c as pressure is increased through 0.25 GPa.« less

Characteristics Associated with the Madden-Julian Oscillation at Manus Island

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

Deng, Liping; McFarlane, Sally A.; Flaherty, Julia E.

2013-05-15

Ground-based high temporal and vertical resolution datasets from 2002 to 2008 of observations at the Atmospheric Radiation Measurement (ARM) Tropical Western Pacific (TWP) site on Manus Island, Papua New Guinea are used to examine the evolution of clouds and rainfall associated with the MJO life cycle. A composite MJO event is developed based on the NOAA MJO Index 4 using 13 events. The analysis shows that the cloud evolution during the composited MJO life cycle depicts a two-phase structure consisting of a development phase and a mature phase. During the development phase, congestus is the most important cloud type; duringmore » the mature phase, deep convection is the dominant cloud type. Consistent with this two-phase structure, the heavy rainfall frequency also shows a two-peak structure during the MJO life cycle. Light rainfall does not show a clear relation to the MJO life cycle, but shows variability on shorter time scales. From the development phase to the mature phase, the MJO structure shifts from the Type I to Type II structure, showing a different phase relationship between convection and dynamic fields (or wave motion) in the development and mature phases. During the shift, mid-level clouds play an important role in moving moisture to the mid-troposphere and preparing the atmosphere for the following deep convection. The discharge-recharge theory explains some of observed features of the MJO evolution at the ARM TWP Manus Island site.« less

Probing Protein Structure and Folding in the Gas Phase by Electron Capture Dissociation

NASA Astrophysics Data System (ADS)

Schennach, Moritz; Breuker, Kathrin

2015-07-01

The established methods for the study of atom-detailed protein structure in the condensed phases, X-ray crystallography and nuclear magnetic resonance spectroscopy, have recently been complemented by new techniques by which nearly or fully desolvated protein structures are probed in gas-phase experiments. Electron capture dissociation (ECD) is unique among these as it provides residue-specific, although indirect, structural information. In this Critical Insight article, we discuss the development of ECD for the structural probing of gaseous protein ions, its potential, and limitations.

Exploration of phase transition in ThS under pressure: An ab-initio investigation

NASA Astrophysics Data System (ADS)

Sahoo, B. D.; Mukherjee, D.; Joshi, K. D.; Kaushik, T. C.

2018-04-01

The ab-initio total energy calculations have been performed in thorium sulphide (ThS) to explore its high pressure phase stability. Our calculations predict a phase transformation from ambient rocksalt type structure (B1 phase) to a rhombohedral structure (R-3m phase) at ˜ 15 GPa and subsequently R-3m phase transforms to CsCl type structure (B2 phase) at ˜ 45 GPa. The first phase transition has been identified as second order type; whereas, the second transition is of first order type with volume discontinuity of 6.5%. The predicted high pressure R-3m phase is analogous to the experimentally observed hexagonal (distorted fcc) phase (Benedict et al., J. Less-Common Met., 1984) above 20 GPa. Further, using these calculations we have derived the equation of state which has been utilized to determine various physical quantities such as zero pressure equilibrium volume, bulk modulus, and pressure derivative of bulk modulus at ambient conditions.

B1-B2 phase transition mechanism and pathway of PbS under pressure

NASA Astrophysics Data System (ADS)

Adeleke, Adebayo A.; Yao, Yansun

2018-03-01

Experimental studies at finite Pressure-Temperature (P-T) conditions and a theoretical study at 0 K of the phase transition in lead sulphide (PbS) have been inconclusive. Many studies that have been done to understand structural transformation in PbS can broadly be classified into two main ideological streams—one with Pnma and another with Cmcm orthorhombic intermediate phase. To foster better understanding of this phenomenon, we present the result of the first-principles study of phase transition in PbS at finite temperature. We employed the particle swarm-intelligence optimization algorithm for the 0 K structure search and first-principles metadynamics simulations to study the phase transition pathway of PbS from the ambient pressure, 0 K Fm-3m structure to the high-pressure Pm-3m phase under experimentally achievable P-T conditions. Significantly, our calculation shows that both streams are achievable under specific P-T conditions. We further uncover new tetragonal and monoclinic structures of PbS with space group P21/c and I41/amd, respectively. We propose the P21/c and I41/amd as a precursor phase to the Pnma and Cmcm phases, respectively. We investigated the stability of the new structures and found them to be dynamically stable at their stability pressure range. Electronic structure calculations reveal that both P21/c and I41/amd phases are semiconducting with direct and indirect bandgap energies of 0.69(5) eV and 0.97(3) eV, respectively. In general, both P21/c and I41/amd phases were found to be energetically competitive with their respective orthorhombic successors.

X-ray diffraction and spectroscopy study of nano-Eu 2O 3 structural transformation under high pressure

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

Yu, Zhenhai; Wang, Qinglin; Ma, Yanzhang

Nanoscale materials exhibit properties that are quite distinct from those of bulk materials because of their size restricted nature. Here, we investigated the high-pressure structural stability of cubic (C-type) nano-Eu2O3 using in situ synchrotron X-ray diffraction (XRD), Raman and luminescence spectroscopy, and impedance spectra techniques. Our high-pressure XRD experimental results revealed a pressure-induced structural phase transition in nano-Eu2O3 from the C-type phase (space group: Ia-3) to a hexagonal phase (A-type, space group: P-3m1). Our reported transition pressure (9.3 GPa) in nano-Eu2O3 is higher than that of the corresponding bulk-Eu2O3 (5.0 GPa), which is contrary to the preceding reported experimental result.more » After pressure release, the A-type phase of Eu2O3 transforms into a new monoclinic phase (B-type, space group: C2/m). Compared with bulk-Eu2O3, C-type and A-type nano-Eu2O3 exhibits a larger bulk modulus. Our Raman and luminescence findings and XRD data provide consistent evidence of a pressure-induced structural phase transition in nano-Eu2O3. To our knowledge, we have performed the first high-pressure impedance spectra investigation on nano-Eu2O3 to examine the effect of the structural phase transition on its transport properties. We propose that the resistance inflection exhibited at ~12 GPa results from the phase boundary between the C-type and A-type phases. Besides, we summarized and discussed the structural evolution process by the phase diagram of lanthanide sesquioxides (Ln2O3) under high pressure.« less

Crystal structure across the β to α phase transition in thermoelectric Cu 2–xSe

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

Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.

Here, the crystal structure uniquely imparts the specific properties of a material, and thus provides the starting point for any quantitative understanding of thermoelectric properties. Cu 2–xSe is an intensely studied high performing, non-toxic and cheap thermoelectric material, and here for the first time, the average structure of β-Cu 2–xSe is reported based on analysis of multi-temperature single-crystal X-ray diffraction data. It consists of Se–Cu layers with additional copper between every alternate layer. The structural changes during the peculiar zT enhancing phase transition mainly consist of changes in the inter-layer distance coupled with subtle Cu migration. Just prior to themore » transition the structure exhibits strong negative thermal expansion due to the reordering of Cu atoms, when approached from low temperatures. The phase transition is fully reversible and group–subgroup symmetry relations are derived that relate the low-temperature β-phase to the high-temperature α-phase. Weak superstructure reflections are observed and a possible Cu ordering is proposed. The structural rearrangement may have a significant impact on the band structure and the Cu rearrangement may also be linked to an entropy increase. Both factors potentially contribute to the extraordinary zT enhancement across the phase transition.« less

Electronic and thermodynamic properties of layered Hf2Sfrom first-principles calculations

NASA Astrophysics Data System (ADS)

Nandadasa, Chandani; Yoon, Mina; Kim, Seong-Gon; Erwin, Steve; Kim, Sungho; Kim, Sung Wng; Lee, Kimoon

Theoretically we explored two stable phases of inorganic fullerene-like structure of the layered dihafnium sulfide (Hf2 S) . We investigated structural and electronic properties of the two phases of Hf2 S by using first-principles calculations. Our calculation identifies experimentally observed anti-NbS2 structure of Hf2 S . Our electronic calculation results indicate that the density of states of anti- NbS2 structure of Hf2 S at fermi level is less than that of the other phase of Hf2 S . To study the relative stability of different phases at finite temperature Helmholtz free energies of two phases are obtained using density functional theory and density functional perturbation theory. The free energy of the anti-NbS2 structure of Hf2 S always lies below the free energy of the other phase by confirming the most stable structure of Hf2 S . The phonon dispersion, phonon density of states including partial density of states and total density of states are obtained within density functional perturbation theory. Our calculated zero-pressure phonon dispersion curves confirm that the thermodynamic stability of Hf2 S structures. For further investigation of thermodynamic properties, the temperature dependency of thermal expansion, heat capacities at constant pressure and volume are evaluated within the quasiharmonic approximations (QHA).

Crystal structure across the β to α phase transition in thermoelectric Cu 2–xSe

DOE PAGES

Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; ...

2017-06-13

Here, the crystal structure uniquely imparts the specific properties of a material, and thus provides the starting point for any quantitative understanding of thermoelectric properties. Cu 2–xSe is an intensely studied high performing, non-toxic and cheap thermoelectric material, and here for the first time, the average structure of β-Cu 2–xSe is reported based on analysis of multi-temperature single-crystal X-ray diffraction data. It consists of Se–Cu layers with additional copper between every alternate layer. The structural changes during the peculiar zT enhancing phase transition mainly consist of changes in the inter-layer distance coupled with subtle Cu migration. Just prior to themore » transition the structure exhibits strong negative thermal expansion due to the reordering of Cu atoms, when approached from low temperatures. The phase transition is fully reversible and group–subgroup symmetry relations are derived that relate the low-temperature β-phase to the high-temperature α-phase. Weak superstructure reflections are observed and a possible Cu ordering is proposed. The structural rearrangement may have a significant impact on the band structure and the Cu rearrangement may also be linked to an entropy increase. Both factors potentially contribute to the extraordinary zT enhancement across the phase transition.« less

Structural metatransition of energetically tangled crystalline phases.

PubMed

Zhou, Dan; Li, Quan; Zheng, Weitao; Ma, Yanming; Chen, Changfeng

2017-02-08

We solve the longstanding puzzle of pressure induced structural evolution of SnSe using a swarm structure search method combined with first-principles phonon and kinetic barrier calculations. Our results identify a dynamic set of nearly degenerate crystalline SnSe phases that are separated by low kinetic barriers and undergo an unusual type of structural transitions characterized by a dynamically changing mix of the constituent phases. We introduce a new concept of structural metatransition to highlight the transitional nature of such phase transitions. Our theoretical prediction is corroborated by X-ray diffraction measurements, and this intriguing phenomenon offers insights into the enigmatic property variations of SnSe under pressure. This work raises prospects of considerably improving characterization and understanding of intrinsic multiphase crystals and their dynamic evolution.

Studies on the structural stability of Co2P2O7 under pressure

NASA Astrophysics Data System (ADS)

Wang, W. P.; Pang, H.; Jin, M. L.; Shen, X.; Yao, Y.; Wang, Y. G.; Li, Y. C.; Li, X. D.; Jin, C. Q.; Yu, R. C.

2018-05-01

The crystal structural evolution of Co2P2O7 was studied by using in situ high pressure angle dispersive x-ray diffraction with synchrotron radiation. The results demonstrate that the α phase of Co2P2O7 goes through a partially irreversible structural transformation to β phase under pressure. The pressure is conductive to reduce the longest Cosbnd O bond length of the α phase, and then more uniform Cosbnd O bonds and regular hexagonal arrangement of CoO6 octahedra of the β phase are favored. According to the Birch-Murnaghan equation, the fitted bulk modulus B0 is 158.1(±5.6) GPa for α phase and 276.5(±6.5) GPa for β phase. Furthermore, the first-principles calculations show that these two phases of Co2P2O7 have almost equal total energies, and also have similar band structures and spin-polarized density of states at their ground states. This may be the reason why these two phases of Co2P2O7 can coexist in the pressure released state. It is found that the band gap energies decrease with increasing pressure for both phases.

Synthesis of monoclinic IrTe 2 under high pressure and its physical properties

DOE PAGES

Li, X.; Yan, J. -Q.; Singh, D. J.; ...

2015-10-12

In a pressure-temperature (P-T) diagram for synthesizing IrTe 2 compounds, the well-studied trigonal (H) phase with the CdI 2-type structure is stable at low pressures. The superconducting cubic (C) phase can be synthesized under higher temperatures and pressures. A rhombohedral phase with the crystal structure similar to the C phase can be made at ambient pressure; but the phase contains a high concentration of Ir deficiency. Here, we report that a rarely studied monoclinic (M) phase can be stabilized in narrow ranges of pressure and temperature in this P-T diagram. Moreover, the peculiar crystal structure of the M-IrTe 2 eliminatesmore » the tendency to form Ir-Ir dimers found in the H phase. The M phase has been fully characterized by structural determination and measurements of electrical resistivity, thermoelectric power, DC magnetization, and specific heat. These physical properties have been compared with those in the H and C phases of Ir 1-xTe 2. Finally, we present magnetic and transport properties and specific heat of the M-IrTe 2 can be fully justified by calculations with the density-functional theory.« less

The optical gap in VO2 insulating phases is dominated by Coulomb repulsion

NASA Astrophysics Data System (ADS)

Hendriks, Christopher; Walter, Eric; Krakauer, Henry; Huffman, Tyler; Qazilbash, Mumtaz

Under doping, tensile strain or heating, vanadium dioxide (VO2) transforms from an insulating monoclinic (M1) to a metallic rutile (R) phase, progressing through intermediate insulating triclinic (T) and magnetic (M2) phases. Broadband optical spectroscopy data have been obtained on the T and M2 phases in the same sample. While only half the V atoms are dimerized in M2 compared to M1 and T, the measured optical gap is essentially unaltered by the first-order structural phase transition between them. Moreover, the optical interband features in the T and M2 phases are remarkably similar to those previously observed in the well-studied M1 phase. This shows that the electronic structure is insensitive to the lattice structure. Our ab-initio HSE optical conductivity calculations on the insulating phases of VO2 are in excellent agreement with the experimental measurements. We will discuss the choice of α, the fraction of exact exchange. As the energy gap is insensitive to the different lattice structures of the three insulating phases, we rule out Peierls effects as the dominant contributor to the opening of the gap. Rather, the energy gap arises from intra-atomic Coulomb correlations. Supported by ONR.

First principles study of structural, electronic and optical properties of polymorphic forms of Rb 2Te

NASA Astrophysics Data System (ADS)

Alay-e-Abbas, S. M.; Shaukat, A.

2011-05-01

First-principles density functional theory calculations have been performed for structural, electronic and optical properties of three polymorphic forms of rubidium telluride. Our calculations show that the sequence of pressure induced phase transitions for Rb 2Te is Fm3¯m → Pnma → P6 3/mmc which is governed by the coordination numbers of the anions. From our calculated low transition pressure value for the Fm3¯m phase to the Pnma phase transition of Rb 2Te, the experimentally observed meta-stability of Fm3¯m phase at ambient conditions seems reasonable. The electronic band structure has been calculated for all the three phases and the change in the energy band gap is discussed for the transitioning phases. The energy band gaps obtained for the three phases of Rb 2Te decrease on going from the meta-stable phase to the high-pressure phases. Total and partial density of states for the polymorphs of Rb 2Te has been computed to elucidate the contribution of various atomic states on the electronic band structure. Furthermore, optical properties for all the polymorphic forms have been presented in form of the complex dielectric function.

Retrieving quasi-phase-matching structure with discrete layer-peeling method.

PubMed

Zhang, Q W; Zeng, X L; Wang, M; Wang, T Y; Chen, X F

2012-07-02

An approach to reconstruct a quasi-phase-matching grating by using a discrete layer-peeling algorithm is presented. Experimentally measured output spectra of Šolc-type filters, based on uniform and chirped QPM structures, are used in the discrete layer-peeling algorithm. The reconstructed QPM structures are in agreement with the exact structures used in the experiment and the method is verified to be accurate and efficient in quality inspection on quasi-phase-matching grating.

Effects of 3D Earth structure on W-phase CMT parameters

NASA Astrophysics Data System (ADS)

Morales, Catalina; Duputel, Zacharie; Rivera, Luis; Kanamori, Hiroo

2017-04-01

The source inversion of the W-phase has demonstrated a great potential to provide fast and reliable estimates of the centroid moment tensor (CMT) for moderate to large earthquakes. It has since been implemented in different operational environments (NEIC-USGS, PTWC, etc.) with the aim of providing rapid CMT solutions. These solutions are in particular useful for tsunami warning purposes. Computationally, W-phase waveforms are usually synthetized by summation of normal modes at long period (100 - 1000 s) for a spherical Earth model (e.g., PREM). Although the energy of these modes mainly stays in the mantle where lateral structural variations are relatively small, the impact of 3D heterogeneities on W-phase solutions have not yet been quantified. In this study, we investigate possible bias in W-phase source parameters due to unmodeled lateral structural heterogeneities. We generate a simulated dataset consisting of synthetic seismograms of large past earthquakes that accounts for the Earth's 3D structure. The W-phase algorithm is then used to invert the synthetic dataset for earthquake CMT parameters with and without added noise. Results show that the impact of 3D heterogeneities is generally larger for surface-waves than for W-phase waveforms. However, some discrepancies are noted between inverted W-phase parameters and target values. Particular attention is paid to the possible bias induced by the unmodeled 3D structure into the location of the W-phase centroid. Preliminary results indicate that the parameter that is most susceptible to 3D Earth structure seems to be the centroid depth.

Conformational Phase Diagram for Polymers Adsorbed on Ultrathin Nanowires

NASA Astrophysics Data System (ADS)

Vogel, Thomas; Bachmann, Michael

2010-05-01

We study the conformational behavior of a polymer adsorbed at an attractive stringlike nanowire and construct the complete structural phase diagram in dependence of the binding strength and effective thickness of the nanowire. For this purpose, Monte Carlo optimization techniques are employed to identify lowest-energy structures for a coarse-grained model of a polymer in contact with the nanowire. Among the representative conformations in the different phases are, for example, compact droplets attached to the wire and also nanotubelike monolayer films wrapping it in a very ordered way. We here systematically analyze low-energy shapes and structural order parameters to elucidate the transitions between the structural phases.

Conformational phase diagram for polymers adsorbed on ultrathin nanowires.

PubMed

Vogel, Thomas; Bachmann, Michael

2010-05-14

We study the conformational behavior of a polymer adsorbed at an attractive stringlike nanowire and construct the complete structural phase diagram in dependence of the binding strength and effective thickness of the nanowire. For this purpose, Monte Carlo optimization techniques are employed to identify lowest-energy structures for a coarse-grained model of a polymer in contact with the nanowire. Among the representative conformations in the different phases are, for example, compact droplets attached to the wire and also nanotubelike monolayer films wrapping it in a very ordered way. We here systematically analyze low-energy shapes and structural order parameters to elucidate the transitions between the structural phases.

Structural phase transition at high temperatures in solid molecular hydrogen and deuterium

NASA Astrophysics Data System (ADS)

Cui, T.; Takada, Y.; Cui, Q.; Ma, Y.; Zou, G.

2001-07-01

We study the effect of temperature up to 1000 K on the structure of dense molecular para-hydrogen (p-H2) and ortho-deuterium (o-D2), using the path-integral Monte Carlo method. We find a structural phase transition from orientationally disordered hexagonal close packed (hcp) to an orthorhombic structure of Cmca symmetry before melting. The transition is basically induced by thermal fluctuations, but quantum fluctuations of protons (deuterons) are important in determining the transition temperature through effectively hardening the intermolecular interaction. We estimate the phase line between hcp and Cmca phases as well as the melting line of the Cmca solid.

Structural and electronic properties of high pressure phases of lead chalcogenides

NASA Astrophysics Data System (ADS)

Petersen, John; Scolfaro, Luisa; Myers, Thomas

2012-10-01

Lead chalcogenides, most notably PbTe and PbSe, have become an active area of research due to their thermoelectric properties. The high figure of merit (ZT) of these materials has brought much attention to them, due to their ability to convert waste heat into electricity. Variation in synthesis conditions gives rise to a need for analysis of structural and thermoelectric properties of these materials at different pressures. In addition to the NaCl structure at ambient conditions, lead chalcogenides have a dynamic orthorhombic (Pnma) intermediate phase and a higher pressure yet stable CsCl phase. By altering the lattice constant, we simulate the application of external pressure; this has notable effects on ground state total energy, band gap, and structural phase. Using the General Gradient Approximation (GGA) in Density Functional Theory (DFT), we calculate the phase transition pressures by finding the differences in enthalpy from total energy calculations. For each phase, elastic constants, bulk modulus, shear modulus, Young's modulus, and hardness are calculated, using two different approaches. In addition to structural properties, we analyze the band structure and density of states at varying pressures, paying special note to thermoelectric implications.

Structural phase transitions in monolayer molybdenum dichalcogenides

NASA Astrophysics Data System (ADS)

Choe, Duk-Hyun; Sung, Ha June; Chang, Kee Joo

2015-03-01

The recent discovery of two-dimensional materials such as graphene and transition metal dichalcogenides (TMDs) has provided opportunities to develop ultimate thin channel devices. In contrast to graphene, the existence of moderate band gap and strong spin-orbit coupling gives rise to exotic electronic properties which vary with layer thickness, lattice structure, and symmetry. TMDs commonly appear in two structures with distinct symmetries, trigonal prismatic 2H and octahedral 1T phases which are semiconducting and metallic, respectively. In this work, we investigate the structural and electronic properties of monolayer molybdenum dichalcogenides (MoX2, where X = S, Se, Te) through first-principles density functional calculations. We find a tendency that the semiconducting 2H phase is more stable than the metallic 1T phase. We show that a spontaneous symmetry breaking of 1T phase leads to various distorted octahedral (1T') phases, thus inducing a metal-to-semiconductor transition. We discuss the effects of carrier doping on the structural stability and the modification of the electronic structure. This work was supported by the National Research Foundation of Korea (NRF) under Grant No. NRF-2005-0093845 and Samsung Science and Technology Foundation under Grant No. SSTFBA1401-08.

Triclinic-monoclinic-orthorhombic (T-M-O) structural transitions in phase diagram of FeVO4-CrVO4 solid solutions

NASA Astrophysics Data System (ADS)

Bera, Ganesh; Reddy, V. R.; Rambabu, P.; Mal, P.; Das, Pradip; Mohapatra, N.; Padmaja, G.; Turpu, G. R.

2017-09-01

Phase diagram of FeVO4-CrVO4 solid solutions pertinent with structural and magnetic phases is presented with unambiguous experimental evidences. Solid solutions Fe1-xCrxVO4 (0 ≤ x ≤ 1.0) were synthesized through the standard solid state route and studied by X-ray diffraction, scanning electron microscopy, energy dispersive spectra of X-rays, Raman spectroscopy, d.c. magnetization, and 57Fe Mössbauer spectroscopic studies. FeVO4 and CrVO4 were found to be in triclinic (P-1 space group) and orthorhombic structures (Cmcm space group), respectively. Cr incorporation into the FeVO4 lattice leads to the emergence of a new monoclinic phase dissimilar to the both end members of the solid solutions. In Fe1-xCrxVO4 up to x = 0.10, no discernible changes in the triclinic structure were found. A new structural monoclinic phase (C2/m space group) emerges within the triclinic phase at x = 0.125, and with the increase in Cr content, it gets stabilized with clear single phase signatures in the range of x = 0.175-0.25 as evidenced by the Rietveld analysis of the structures. Beyond x = 0.33, orthorhombic phase similar to CrVO4 (Cmcm space group) emerges and coexists with a monoclinic structure up to x = 0.85, which finally tends to stabilize in the range of x = 0.90-1.00. The Raman spectroscopic studies also confirm the structural transition. FeVO4 Raman spectra show the modes related to three nonequivalent V ions in the triclinic structure, where up to 42 Raman modes are observed in the present study. With the stabilization of structures having higher symmetry, the number of Raman modes decreases and the modes related to symmetry inequivalent sites collate into singular modes from the doublet structure. A systematic crossover from two magnetic transitions in FeVO4, at 21.5 K and 15.4 K to single magnetic transition in CrVO4, at 71 K (antiferromagnetic transition), is observed in magnetization studies. The intermediate solid solution with x = 0.15 shows two magnetic transitions, whereas in the compound with x = 0.33 one of the magnetic transitions disappears. 57Fe Mössbauer spectroscopic studies show a finger print evidence for disappearance of non-equivalent sites of Fe as the structure changes from Triclinic-Monoclinic-Orthorhombic phases with the increasing Cr content in Fe1-xCrxVO4. Comprehensive studies related to the structural changes in Fe1-xCrxVO4 solid solutions lead us to detailed phase diagrams which shall be characteristic for room temperature structural and temperature dependent magnetic transitions in these solid solutions, respectively.

Structural Rheology of the Smectic Phase

PubMed Central

Fujii, Shuji; Komura, Shigeyuki; Lu, Chun-Yi David

2014-01-01

In this review article, we discuss the rheological properties of the thermotropic smectic liquid crystal 8CB with focal conic domains (FCDs) from the viewpoint of structural rheology. It is known that the unbinding of the dislocation loops in the smectic phase drives the smectic-nematic transition. Here we discuss how the unbinding of the dislocation loops affects the evolution of the FCD size, linear and nonlinear rheological behaviors of the smectic phase. By studying the FCD formation from the perpendicularly oriented smectic layers, we also argue that dislocations play a key role in the structural development in layered systems. Furthermore, similarities in the rheological behavior between the FCDs in the smectic phase and the onion structures in the lyotropic lamellar phase suggest that these systems share a common physical origin for the elasticity. PMID:28788123

CRYSTAL CHEMISTRY OF THREE-COMPONENT WHITE DWARFS AND NEUTRON STAR CRUSTS: PHASE STABILITY, PHASE STRATIFICATION, AND PHYSICAL PROPERTIES

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

Engstrom, T. A.; Yoder, N. C.; Crespi, V. H., E-mail: tae146@psu.edu, E-mail: ncy5007@psu.edu, E-mail: vhc2@psu.edu

A systematic search for multicomponent crystal structures is carried out for five different ternary systems of nuclei in a polarizable background of electrons, representative of accreted neutron star crusts and some white dwarfs. Candidate structures are “bred” by a genetic algorithm and optimized at constant pressure under the assumption of linear response (Thomas–Fermi) charge screening. Subsequent phase equilibria calculations reveal eight distinct crystal structures in the T = 0 bulk phase diagrams, five of which are complicated multinary structures not previously predicted in the context of compact object astrophysics. Frequent instances of geometrically similar but compositionally distinct phases give insight into structural preferencesmore » of systems with pairwise Yukawa interactions, including and extending to the regime of low-density colloidal suspensions made in a laboratory. As an application of these main results, we self-consistently couple the phase stability problem to the equations for a self-gravitating, hydrostatically stable white dwarf, with fixed overall composition. To our knowledge, this is the first attempt to incorporate complex multinary phases into the equilibrium phase-layering diagram and mass–radius-composition dependence, both of which are reported for He–C–O and C–O–Ne white dwarfs. Finite thickness interfacial phases (“interphases”) show up at the boundaries between single-component body-centered cubic (bcc) crystalline regions, some of which have lower lattice symmetry than cubic. A second application—quasi-static settling of heavy nuclei in white dwarfs—builds on our equilibrium phase-layering method. Tests of this nonequilibrium method reveal extra phases that play the role of transient host phases for the settling species.« less

Crystal Chemistry of Three-component White Dwarfs and Neutron Star Crusts: Phase Stability, Phase Stratification, and Physical Properties

NASA Astrophysics Data System (ADS)

Engstrom, T. A.; Yoder, N. C.; Crespi, V. H.

2016-02-01

A systematic search for multicomponent crystal structures is carried out for five different ternary systems of nuclei in a polarizable background of electrons, representative of accreted neutron star crusts and some white dwarfs. Candidate structures are “bred” by a genetic algorithm and optimized at constant pressure under the assumption of linear response (Thomas-Fermi) charge screening. Subsequent phase equilibria calculations reveal eight distinct crystal structures in the T = 0 bulk phase diagrams, five of which are complicated multinary structures not previously predicted in the context of compact object astrophysics. Frequent instances of geometrically similar but compositionally distinct phases give insight into structural preferences of systems with pairwise Yukawa interactions, including and extending to the regime of low-density colloidal suspensions made in a laboratory. As an application of these main results, we self-consistently couple the phase stability problem to the equations for a self-gravitating, hydrostatically stable white dwarf, with fixed overall composition. To our knowledge, this is the first attempt to incorporate complex multinary phases into the equilibrium phase-layering diagram and mass-radius-composition dependence, both of which are reported for He-C-O and C-O-Ne white dwarfs. Finite thickness interfacial phases (“interphases”) show up at the boundaries between single-component body-centered cubic (bcc) crystalline regions, some of which have lower lattice symmetry than cubic. A second application—quasi-static settling of heavy nuclei in white dwarfs—builds on our equilibrium phase-layering method. Tests of this nonequilibrium method reveal extra phases that play the role of transient host phases for the settling species.

Study of structural, elastic, electronic and optical properties of seven SrZrO{sub 3} phases: First-principles calculations

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

Liu, Qi-Jun, E-mail: dianerliu@yahoo.com.cn; Liu, Zheng-Tang; Feng, Li-Ping

2012-12-15

On the plane-wave ultrasoft pseudopotential technique based on the first-principles density functional theory (DFT), we calculated the structural, elastic, electronic and optical properties of the seven different phases of SrZrO{sub 3}. The obtained ground-state properties are in good agreement with previous experiments and calculations, which indicate that the most stable phase is orthorhombic Pnma structure. Seven phases of SrZrO{sub 3} are mechanically stable with cubic, tetragonal and orthorhombic structures. The mechanical and thermodynamic properties have been obtained by using the Voigt-Reuss-Hill approach and Debye-Grueneisen model. The electronic structures and optical properties are obtained and compared with the available experimental andmore » theoretical data. - Graphical abstract: Energy versus volume of seven phases SrZrO{sub 3} shows the Pnma phase has the minimum ground-state energy. Highlights: Black-Right-Pointing-Pointer We calculated the physical and chemical properties of seven SrZrO{sub 3} polymorphs. Black-Right-Pointing-Pointer The order of stability is Pnma>Imma>Cmcm>I4/mcm>P4/mbm>P4mm>Pm3-bar m. Black-Right-Pointing-Pointer The most stable phase is orthorhombic Pnma structure. Black-Right-Pointing-Pointer Seven phases of SrZrO{sub 3} are mechanically stable. Black-Right-Pointing-Pointer The relationship between n and {rho}{sub m} is n=1+0.18{rho}{sub m}.« less

Structural stability and phase transition of Bi 2 Te 3 under high pressure and low temperature

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

Zhang, J. L.; Zhang, S. J.; Zhu, J. L.

2017-09-01

Structural stability and phase transition of topological insulator Bi2Te3 were studied via angle-dispersive synchrotron radiation X-ray diffraction under high pressure and low temperature condition. The results manifest that the R-3m phase (phase I) is stable at 8 K over the pressure range up to 10 GPa and phase transition occurs between 8 K and 45 K at 8 GPa. According to the Birch-Murnaghan equation of state, the bulk modulus at ambient pressure B0 was estimated to be 45 ± 3 GPa with the assumption of B0' = 4. The structural robustness of phase I at 8 K suggests that themore » superconductivity below 10 GPa is related to phase I. Topological properties of superconducting Bi2Te3 phase under pressure were discussed.« less

High pressure spectroscopic studies of phase transition in VO2

NASA Astrophysics Data System (ADS)

Basu, Raktima; Mishra, K. K.; Ravindran, T. R.; Dhara, Sandip

2018-04-01

Vanadium dioxide (VO2) exhibits a reversible first-order metal to insulator transition (MIT) at a technologically important temperature of 340K. A structural phase transition (SPT) from monoclinic M1 to rutile tetragonal R is also reported via another two intermediate phases of monoclinic M2 and triclinic T. Metastable monoclinic M2 phase of VO2 was synthesized by Mg doping in the vapour transport process. Raman spectroscopic measurements were carried out at high pressure on V1-xMgxO2 microrods. Two reversible structural phase transitions from monoclinic M2 to triclinic T at 1.6 GPa and T to monoclinic M1 at 3.2 GPa are observed and are explained by structural relaxation of the strained phases.

Role of composition, bond covalency, and short-range order in the disordering of stannate pyrochlores by swift heavy ion irradiation

NASA Astrophysics Data System (ADS)

Tracy, Cameron L.; Shamblin, Jacob; Park, Sulgiye; Zhang, Fuxiang; Trautmann, Christina; Lang, Maik; Ewing, Rodney C.

2016-08-01

A2S n2O7 (A =Nd ,Sm,Gd,Er,Yb,and Y) materials with the pyrochlore structure were irradiated with 2.2 GeV Au ions to systematically investigate disordering of this system in response to dense electronic excitation. Structural modifications were characterized, over multiple length scales, by transmission electron microscopy, x-ray diffraction, and Raman spectroscopy. Transformations to amorphous and disordered phases were observed, with disordering dominating the structural response of materials with small A -site cation ionic radii. Both the disordered and amorphous phases were found to possess weberite-type local ordering, differing only in that the disordered phase exhibits a long-range, modulated arrangement of weberite-type structural units into an average defect-fluorite structure, while the amorphous phase remains fully aperiodic. Comparison with the behavior of titanate and zirconate pyrochlores showed minimal influence of the high covalency of the Sn-O bond on this phase behavior. An analytical model of damage accumulation was developed to account for simultaneous amorphization and recrystallization of the disordered phase during irradiation.

Crystal grain growth at the α -uranium phase transformation in praseodymium

NASA Astrophysics Data System (ADS)

Cunningham, Nicholas C.; Velisavljevic, Nenad; Vohra, Yogesh K.

2005-01-01

Structural phase transformations under pressure are examined in praseodymium metal for the range 0-40GPa at ambient temperature. Pressure was generated with a diamond-anvil cell, and data were collected using high-resolution synchrotron x-ray diffraction and the image plate technique. The structural sequence double hexagonal close packed (dhcp)→face centered cubic (fcc)→distorted-fcc (d-fcc)→ α -uranium (α-U) is observed with increasing pressure. Rietveld refinement of all crystallographic phases provided confirmation of the hR24 structure for the d-fcc phase while the previously reported monoclinic phase between the d-fcc and the α-U phase was not confirmed. We observe dramatic crystal grain growth during the volume collapse concurrent with the symmetry-lowering transition to the α-U structure. No preferred orientation axis is observed, and the formation process for these large grains is expected to be via a nucleation and growth mechanism. An analogous effect in rare earth metal cerium suggests that the grain growth during transformation to the α-U structure is a common occurrence in f -electron metals at high pressures.

Reactor for tracking catalyst nanoparticles in liquid at high temperature under a high-pressure gas phase with X-ray absorption spectroscopy.

PubMed

Nguyen, Luan; Tao, Franklin Feng

2018-02-01

Structure of catalyst nanoparticles dispersed in liquid phase at high temperature under gas phase of reactant(s) at higher pressure (≥5 bars) is important for fundamental understanding of catalytic reactions performed on these catalyst nanoparticles. Most structural characterizations of a catalyst performing catalysis in liquid at high temperature under gas phase at high pressure were performed in an ex situ condition in terms of characterizations before or after catalysis since, from technical point of view, access to the catalyst nanoparticles during catalysis in liquid phase at high temperature under high pressure reactant gas is challenging. Here we designed a reactor which allows us to perform structural characterization using X-ray absorption spectroscopy including X-ray absorption near edge structure spectroscopy and extended X-ray absorption fine structure spectroscopy to study catalyst nanoparticles under harsh catalysis conditions in terms of liquid up to 350 °C under gas phase with a pressure up to 50 bars. This reactor remains nanoparticles of a catalyst homogeneously dispersed in liquid during catalysis and X-ray absorption spectroscopy characterization.

Microstructural Formations and Phase Transformation Pathways in Hot Isostatically Pressed Tantalum Carbides

DTIC Science & Technology

2012-01-01

and wear-resistant brake liners. The phase diagram for the tantalum–carbon system [5] is shown in Fig. 1a with corresponding crystal structures shown... structure ), with carbon atoms occupying the octahe- dral interstitial sites in a tantalum face-centered cubic (fcc) lattice [2,7]. The carbon-deficient...carbon sublattice. The allotropic phase trans- formation temperature between a-Ta2C (CdI2 antitype structure ) and b (L’3 structure ) is 2300 K [1,7]. In

Composition and structure of whey protein/gum arabic coacervates.

PubMed

Weinbreck, F; Tromp, R H; de Kruif, C G

2004-01-01

Complex coacervation in whey protein/gum arabic (WP/GA) mixtures was studied as a function of three main key parameters: pH, initial protein to polysaccharide mixing ratio (Pr:Ps)(ini), and ionic strength. Previous studies had already revealed under which conditions a coacervate phase was obtained. This study is aimed at understanding how these parameters influence the phase separation kinetics, the coacervate composition, and the internal coacervate structure. At a defined (Pr:Ps)(ini), an optimum pH of complex coacervation was found (pH(opt)), at which the strength of electrostatic interaction was maximum. For (Pr:Ps)(ini) = 2:1, the phase separation occurred the fastest and the final coacervate volume was the largest at pH(opt) = 4.0. The composition of the coacervate phase was determined after 48 h of phase separation and revealed that, at pH(opt), the coacervate phase was the most concentrated. Varying the (Pr:Ps)(ini) shifted the pH(opt) to higher values when (Pr:Ps)(ini) was increased and to lower values when (Pr:Ps)(ini) was decreased. This phenomenon was due to the level of charge compensation of the WP/GA complexes. Finally, the structure of the coacervate phase was studied with small-angle X-ray scattering (SAXS). SAXS data confirmed that at pH(opt) the coacervate phase was dense and structured. Model calculations revealed that the structure factor of WP induced a peak at Q = 0.7 nm(-1), illustrating that the coacervate phase was more structured, inducing the stronger correlation length of WP molecules. When the pH was changed to more acidic values, the correlation peak faded away, due to a more open structure of the coacervate. A shoulder in the scattering pattern of the coacervates was visible at small Q. This peak was attributed to the presence of residual charges on the GA. The peak intensity was reduced when the strength of interaction was increased, highlighting a greater charge compensation of the polyelectrolyte. Finally, increasing the ionic strength led to a less concentrated, a more heterogeneous, and a less structured coacervate phase, induced by the screening of the electrostatic interactions.

Change in the magnetic structure of (Bi,Sm)FeO3 thin films at the morphotropic phase boundary probed by neutron diffraction

NASA Astrophysics Data System (ADS)

Maruyama, Shingo; Anbusathaiah, Varatharajan; Fennell, Amy; Enderle, Mechthild; Takeuchi, Ichiro; Ratcliff, William D.

2014-11-01

We report on the evolution of the magnetic structure of BiFeO3 thin films grown on SrTiO3 substrates as a function of Sm doping. We determined the magnetic structure using neutron diffraction. We found that as Sm increases, the magnetic structure evolves from a cycloid to a G-type antiferromagnet at the morphotropic phase boundary, where there is a large piezoelectric response due to an electric-field induced structural transition. The occurrence of the magnetic structural transition at the morphotropic phase boundary offers another route towards room temperature multiferroic devices.

Magnetic Structure and Quadrupolar Order Parameter Driven by Geometrical Frustration Effect in NdB 4

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

Yamauchi, Hiroki; Metoki, Naoto; Watanuki, Ryuta

2017-04-15

Neutron diffraction experiments have been carried out to characterize the magnetic structures and order parameters in an intermediate phase of NdB 4 showing the successive phase transitions at T 0 = 17.2 K, T N1 = 7.0 K, and T N2 = 4.8 K. We have revealed the antiferromagnetic ordering with the propagation vectors q0=(0,0,0), q0 and qs1=(δ,δ,0.4) (δ ~ 0.14), and q 0 and q s2=(0.2,0,0.4) in phase II (T N1 < T < T 0), phase III (T N2 < T < T N1), and phase IV (T < T N2), respectively. The observed patterns in phase IImore » are successfully explained by postulating a coplanar structure with static magnetic moments in the tetragonal ab-plane. We have found that the magnetic structure in phase II can be uniquely determined to be a linear combination of antiferromagnetic “all-in/all-out”-type (Γ 4) and “vortex”-type (Γ 2) structures, consisting of a Γ 4 main component (77%) with a small amplitude of Γ 2 (23%). Finally, we propose that the quadrupolar interaction holds the key to stabilizing the noncollinear magnetic structure and quadrupolar order. Here, the frustration in the Shastry–Sutherland lattice would play an essential role in suppressing the dominance of the magnetic interaction.« less

Magnetic Structure and Quadrupolar Order Parameter Driven by Geometrical Frustration Effect in NdB4

NASA Astrophysics Data System (ADS)

Yamauchi, Hiroki; Metoki, Naoto; Watanuki, Ryuta; Suzuki, Kazuya; Fukazawa, Hiroshi; Chi, Songxue; Fernandez-Baca, Jaime A.

2017-04-01

Neutron diffraction experiments have been carried out to characterize the magnetic structures and order parameters in an intermediate phase of NdB4 showing the successive phase transitions at T0 = 17.2 K, TN1 = 7.0 K, and TN2 = 4.8 K. We have revealed the antiferromagnetic ordering with the propagation vectors q0 = (0,0,0), q0 and qs1 = (δ ,δ ,0.4) (δ ˜ 0.14), and q0 and qs2 = (0.2,0,0.4) in phase II (TN1 < T < T0), phase III (TN2 < T < TN1), and phase IV (T < TN2), respectively. The observed patterns in phase II are successfully explained by postulating a coplanar structure with static magnetic moments in the tetragonal ab-plane. We have found that the magnetic structure in phase II can be uniquely determined to be a linear combination of antiferromagnetic "all-in/all-out"-type (Γ4) and "vortex"-type (Γ2) structures, consisting of a Γ4 main component (77%) with a small amplitude of Γ2 (23%). We propose that the quadrupolar interaction holds the key to stabilizing the noncollinear magnetic structure and quadrupolar order. Here, the frustration in the Shastry-Sutherland lattice would play an essential role in suppressing the dominance of the magnetic interaction.

Nanomechanics of Ferroelectric Thin Films and Heterostructures

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

Li, Yulan; Hu, Shenyang Y.; Chen , L.Q.

2016-08-31

The focus of this chapter is to provide basic concepts of how external strains/stresses altering ferroelectric property of a material and how to evaluate quantitatively the effect of strains/stresses on phase stability, domain structure, and material ferroelectric properties using the phase-field method. The chapter starts from a brief introduction of ferroelectrics and the Landau-Devinshire description of ferroelectric transitions and ferroelectric phases in a homogeneous ferroelectric single crystal. Due to the fact that ferroelectric transitions involve crystal structure change and domain formation, strains and stresses can be produced inside of the material if a ferroelectric transition occurs and it is confined.more » These strains and stresses affect in turn the domain structure and material ferroelectric properties. Therefore, ferroelectrics and strains/stresses are coupled to each other. The ferroelectric-mechanical coupling can be used to engineer the material ferroelectric properties by designing the phase and structure. The followed section elucidates calculations of the strains/stresses and elastic energy in a thin film containing a single domain, twinned domains to complicated multidomains constrained by its underlying substrate. Furthermore, a phase field model for predicting ferroelectric stable phases and domain structure in a thin film is presented. Examples of using substrate constraint and temperature to obtain interested ferroelectric domain structures in BaTiO3 films are demonstrated b phase field simulations.« less

Deformation history of the Neoproterozoic basement complex, Ain Shams area, Western Arabian Shield, Saudi Arabia

NASA Astrophysics Data System (ADS)

El-Fakharani, Abdelhamid; Hamimi, Zakaria

2013-04-01

Ain Shams area, Western Arabian Shield, Saudi Arabia, is occupied by four main rock units; gneisses, metavolcanics, metasediments and syn- to post-tectonic granitoids. Field and structural studies reveal that the area was subjected to at least three phases of deformation (D1, D2 and D3). The structural features of the D1 are represented by tight to isoclinal and intrafolial folds (F1), axial plane foliation (S1) and stretching lineations (L1). This phase is believed to be resulted from an early NW-SE contractional phase due to the amalgamation between Asir and Jeddah tectonic terranes. D2 deformation phase progressively overprinted D1 structures and was dominated by thrusts, minor and major F2 thrust-related overturned folds. These structures indicate a top-to-the-NW movement direction and compressional regime during the D2 phase. Emplacement of the syn-tectonic granitoids is likely to have occurred during this phase. D3 structures are manifested F3 folds, which are open with steep to subvertical axial planes and axes moderately to steeply plunging towards the E, ENE and ESE directions, L3 is represented by crenulation lineations and kink bands. These structures attest NE-SW contractional phase, concurrent with the accretion of the Arabian-Nubian Shield (ANS) to the Saharan Metacraton (SM) and the final assembly between the continental blocks of East and West Gondwana.

Insulating phases of vanadium dioxide are Mott-Hubbard insulators

DOE PAGES

Huffman, T. J.; Hendriks, C.; Walter, E. J.; ...

2017-02-15

Here, we present comprehensive broadband optical spectroscopy data on two insulating phases of vanadium dioxide (VO 2): monoclinic M 2 and triclinic. The main result of our work is that the energy gap and the electronic structure are essentially unaltered by the first-order structural phase transition between the M 2 and triclinic phases. Moreover, the optical interband features in the M 2 and triclinic phases are remarkably similar to those observed in the well-studied monoclinic M 1 insulating phase of VO 2. As the energy gap is insensitive to the different lattice structures of the three insulating phases, we rulemore » out vanadium-vanadium pairing (the Peierls component) as the dominant contributor to the opening of the gap. Rather, the energy gap arises primarily from intra-atomic Coulomb correlations.« less

Cesium vacancy ordering in phase-separated C s x F e 2 - y S e 2

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

Taddei, K. M.; Sturza, M.; Chung, D. Y.

2015-09-01

By simultaneously displaying magnetism and superconductivity in a single phase, the iron based superconductors provide a model system for the study of magnetism’s role in superconductivity. The class of intercalated iron selenide superconductors is unique amongst these in having the additional property of phase separation and coexistence of two distinct phases - one majority phase with iron vacancy ordering and strong antiferromagnetism and the other a poorly understood minority microscopic phase with a contested structure. Adding to the intrigue, the majority phase has never been found to show superconductivity on its own while the minority phase has never been successfullymore » synthesized separate from the majority phase. In order to better understand this minority phase, a series of high quality CsxFe2-ySe2 single crystals with (0.8 ≤ x ≤ 1; 0 ≤ y ≤ 0.3) were grown and studied. Neutron and x-ray powder diffraction performed on ground crystals show the average structure of the minority phase to be I4/mmm, however, the temperature evolution of its lattice parameters shows it to be distinct from the high temperature I4/mmm parent structure. Neutron and x-ray diffraction experiments performed on single crystal samples reveal the presence of previously unobserved discrete superlattice reflections that remove the degeneracy of the Cs sites in both the majority and minority phases and reduce their structural symmetries from body-centered to primitive. Group theoretical analysis in conjunction with structural modeling shows that the observed superlattice reflections originate from a three-dimensional Cs vacancy ordering in the minority phase. This model predicts a 25% vacancy of the Cs site which is consistent with the site’s refined occupancy. Magnetization measurements performed in tandem with neutron single crystal diffraction provide evidence that the minority phase is the host of superconductivity. Our results also reveal a superconducting dome in which the superconducting transition temperature varies as a function of the valence of iron.« less

Structural phase transitions in the Ag{sub 2}Nb{sub 4}O{sub 11}-Na{sub 2}Nb{sub 4}O{sub 11} solid solution

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

Woodward, David I., E-mail: d.i.woodward@warwick.ac.uk; Lees, Martin R.; Thomas, Pam A.

2012-08-15

The phase transitions between various structural modifications of the natrotantite-structured system xAg{sub 2}Nb{sub 4}O{sub 11}-(1-x)Na{sub 2}Nb{sub 4}O{sub 11} have been investigated and a phase diagram constructed as a function of temperature and composition. This shows three separate phase transition types: (1) paraelectric-ferroelectric, (2) rhombohedral-monoclinic and (3) a phase transition within the ferroelectric rhombohedral zone between space groups R3c and R3. The parent structure for the entire series has space group R3{sup Macron }c. Compositions with x>0.75 are rhombohedral at all temperatures whereas compositions with x<0.75 are all monoclinic at room temperature and below. At x=0.75, rhombohedral and monoclinic phases coexistmore » with the phase boundary below room temperature being virtually temperature-independent. The ferroelectric phase boundary extends into the monoclinic phase field. No evidence was found for the R3-R3c phase boundary extending into the monoclinic phase field and it is concluded that a triple point is formed. - Graphical abstract: Phase diagram for xAg{sub 2}Nb{sub 4}O{sub 11}-(1-x)Na{sub 2}Nb{sub 4}O{sub 11} solid solution showing changes in crystal symmetry as a function of temperature and composition. The crystal structure is depicted. Highlights: Black-Right-Pointing-Triangle Ferroelectric, rhombohedral Ag{sub 2}Nb{sub 4}O{sub 11} in solid solution with monoclinic Na{sub 2}Nb{sub 4}O{sub 11}. Black-Right-Pointing-Triangle Three phase boundaries were studied as a function of composition and temperature. Black-Right-Pointing-Triangle Both rhombohedral and monoclinic variants exhibit ferroelectricity. The parent phase of the series has space group R3{sup Macron }c.« less

Context Dependence of Protein Misfolding and Structural Strains in Neurodegenerative Diseases

PubMed Central

Mehta, Anil K.; Rosen, Rebecca F.; Childers, W. Seth; Gehman, John D.; Walker, Lary C.; Lynn, David G.

2014-01-01

Vast arrays of structural forms are accessible to simple amyloid peptides and environmental conditions can direct assembly into single phases. These insights are now being applied to the aggregation of the Aβ peptide of Alzheimer’s disease (AD) and the identification of causative phases. We extend use of the imaging agent Pittsburgh compound B (PiB) to discriminate among Aβ phases and begin to define conditions of relevance to the disease state. And we specifically highlight the development of methods for defining the structures of these more complex phases. PMID:23893572

Effects of rock fragments on water dynamics in a fire-affected soil

NASA Astrophysics Data System (ADS)

Gordillo-Rivero, Ángel J.; García-Moreno, Jorge; Jordán, Antonio; Zavala, Lorena M.

2014-05-01

Rock fragments (RF) are common in the surface of Mediterranean semiarid soils, and have important effects on the soil physical (bulk density and porosity) and hydrological processes (infiltration, evaporation, splash erosion and runoff generation) (Poesen and Lavee, 1994; Rieke-Zapp et al., 2007). In some cases, RFs in Mediterranean areas have been shown to protect bare soils from erosion risk (Cerdà, 2001; Martínez-Zavala, Jordán, 2008; Zavala et al., 2010). Some of these effects are much more relevant when vegetation cover is low or has been reduced after land use change or other causes, as forest fires. Although very few studies exist, the interest on the hydrological effects of RFs in burned areas is increasing recently. After a forest fire, RFs may contribute significantly to soil recovery. In this research we have studied the effect of surface and embedded RFs on soil water control, infiltration and evaporation in calcareous fire-affected soils from a Mediterranean area (SW Spain). For this study, we selected an area with soils derived from limestone under holm oak forest, recently affected by a moderate severity forest fire. The proportion of RF cover showed a significant positive relation with soil water-holding capacity and infiltration rates, although infiltration rate reduced significantly when RF cover increased above a certain threshold. Soil evaporation rate decreased with increasing volumetric content of RFs and became stable with RF contents approximately above 30%. Evaporation also decreased with increasing RF cover. When RF cover increased above 50%, no significant differences were observed between burned and control vegetated plots. REFERENCES Poesen, J., Lavee, H. 1994. Rock fragments in top soils: significance and processes. Catena Supplement 23, 1-28. Cerdà, A. 2001. Effect of rock fragment cover on soil infiltration, interrill runoff and erosion. European Journal of Soil Science 52, 59-68. DOI: 10.1046/j.1365-2389.2001.00354.x. Rieke-Zapp, D., Poesen, J., Nearing, M.A. 2007. Effects of rock fragments incorporated in the soil matrix on concentrated flow hydraulics and erosion. Earth Surface Processes and Landforms 32, 1063-1076. Martínez-Zavala, L., Jordán, A., 2008. Effect of rock fragment cover on interrill soil erosion from bare soils in Western Andalusia, Spain. Soil Use and Management 24, 108, 117. DOI: 10.1111/j.1475-2743.2007.00139.x. Zavala, L.M., Jordán, A., Bellinfante, N., Gil, J. 2010. Relationships between rock fragment cover and soil hydrological response in a Mediterranean environment, Soil Science and Plant Nutrition 56, 95-104. DOI: 10.1111/j.1747-0765.2009.00429.x.

Unusual structural phase transition in [N(C2H5)4][N(CH3)4][ZnBr4

NASA Astrophysics Data System (ADS)

Krawczyk, Monika K.; Ingram, Adam; Cach, Ryszard; Czapla, Zbigniew; Czupiński, Olaf; Dacko, Sławomir; Staniorowski, Piotr

2018-04-01

The new hybrid organic-inorganic crystal [N(C2H5)4][N(CH3)4][ZnBr4] was grown and its physical properties and structural phase transition are presented. On the basis of thermal analysis (DSC (differential scanning calorimetry), DTA (differential thermal analysis), DTG), X-ray structural, dilatometric and dielectric studies as well as optical observation, the reversible first-order phase transition at 490/488 K on heating and cooling run, respectively, has been found. An appearance of domain structure of ferroelastic type gives evidence for an untypical lowering of crystal symmetry during the phase transition. At room temperature, the satisfying crystal structure solution was found in the tetragonal system, in the P?21m space group.

Thermodynamic Control of Two-Dimensional Molecular Ionic Nanostructures on Metal Surfaces

DOE PAGES

Jeon, Seokmin; Doak, Peter W.; Sumpter, Bobby G.; ...

2016-07-26

Bulk molecular ionic solids exhibit fascinating electronic properties, including electron correlations, phase transitions and superconducting ground states. In contrast, few of these phenomena have so far been observed in low-dimensional molecular structures, including thin films, nanoparticles and molecular blends, not in the least because most of such structures have so far been composed of nearly closed-shell molecules. It is therefore desirable to develop low-dimensional molecular structures of ionic molecules toward fundamental studies and potential applications. Here we present detailed analysis of monolayer-thick structures of the canonical TTF-TCNQ (tetrathiafulvalene 7,7,8,8-tetracyanoquinodimethane) system grown on low-index gold and silver surfaces. The most distinctivemore » property of the epitaxial growth is the wide abundance of stable TTF/TCNQ ratios, in sharp contrast to the predominance of 1:1 ratio in the bulk. We propose the existence of the surface phase-diagram that controls the structures of TTF-TCNQ on the surfaces, and demonstrate phase-transitions that occur upon progressively increasing the density of TCNQ while keeping the surface coverage of TTF fixed. Based on direct observations, we propose the binding motif behind the stable phases and infer the dominant interactions that enable the existence of the rich spectrum of surface structures. Finally, we also show that the surface phase diagram will control the epitaxy beyond monolayer coverage. Multiplicity of stable surface structures, the corollary rich phase diagram and the corresponding phase-transitions present an interesting opportunity for low-dimensional molecular systems, particularly if some of the electronic properties of the bulk can be preserved or modified in the surface phases.« less

The time course of syntactic activation during language processing: a model based on neuropsychological and neurophysiological data.

PubMed

Friederici, A D

1995-09-01

This paper presents a model describing the temporal and neurotopological structure of syntactic processes during comprehension. It postulates three distinct phases of language comprehension, two of which are primarily syntactic in nature. During the first phase the parser assigns the initial syntactic structure on the basis of word category information. These early structural processes are assumed to be subserved by the anterior parts of the left hemisphere, as event-related brain potentials show this area to be maximally activated when phrase structure violations are processed and as circumscribed lesions in this area lead to an impairment of the on-line structural assignment. During the second phase lexical-semantic and verb-argument structure information is processed. This phase is neurophysiologically manifest in a negative component in the event-related brain potential around 400 ms after stimulus onset which is distributed over the left and right temporo-parietal areas when lexical-semantic information is processed and over left anterior areas when verb-argument structure information is processed. During the third phase the parser tries to map the initial syntactic structure onto the available lexical-semantic and verb-argument structure information. In case of an unsuccessful match between the two types of information reanalyses may become necessary. These processes of structural reanalysis are correlated with a centroparietally distributed late positive component in the event-related brain potential.(ABSTRACT TRUNCATED AT 250 WORDS)

Structures, phase stabilities, and electrical potentials of Li-Si battery anode materials

NASA Astrophysics Data System (ADS)

Tipton, William W.; Bealing, Clive R.; Mathew, Kiran; Hennig, Richard G.

2013-05-01

The Li-Si materials system holds promise for use as an anode in Li-ion battery applications. For this system, we determine the charge capacity, voltage profiles, and energy storage density solely by ab initio methods without any experimental input. We determine the energetics of the stable and metastable Li-Si phases likely to form during the charging and discharging of a battery. Ab initio molecular dynamics simulations are used to model the structure of amorphous Li-Si as a function of composition, and a genetic algorithm coupled to density-functional theory searches the Li-Si binary phase diagram for small-cell, metastable crystal structures. Calculations of the phonon densities of states using density-functional perturbation theory for selected structures determine the importance of vibrational, including zero-point, contributions to the free energies. The energetics and local structural motifs of these metastable Li-Si phases closely resemble those of the amorphous phases, making these small unit cell crystal phases good approximants of the amorphous phase for use in further studies. The charge capacity is estimated, and the electrical potential profiles and the energy density of Li-Si anodes are predicted. We find, in good agreement with experimental measurements, that the formation of amorphous Li-Si only slightly increases the anode potential. Additionally, the genetic algorithm identifies a previously unreported member of the Li-Si binary phase diagram with composition Li5Si2 which is stable at 0 K with respect to previously known phases. We discuss its relationship to the partially occupied Li7Si3 phase.

High-pressure behavior of methylammonium lead iodide (MAPbI3) hybrid perovskite

NASA Astrophysics Data System (ADS)

Capitani, Francesco; Marini, Carlo; Caramazza, Simone; Postorino, Paolo; Garbarino, Gaston; Hanfland, Michael; Pisanu, Ambra; Quadrelli, Paolo; Malavasi, Lorenzo

2016-05-01

In this paper we provide an accurate high-pressure structural and optical study of the MAPbI3 hybrid perovskite. Structural data show the presence of a phase transition toward an orthorhombic structure around 0.3 GPa followed by full amorphization of the system above 3 GPa. After releasing the pressure, the system keeps the high-pressure orthorhombic phase. The occurrence of these structural transitions is further confirmed by pressure induced variations of the photoluminescence signal at high pressure. These variations clearly indicate that the bandgap value and the electronic structure of MAPI change across the phase transition.

Sensitivity of a Wave Structure to Initial Conditions

NASA Technical Reports Server (NTRS)

Duval, Walter M. B.; Duval, Walter M. B. (Technical Monitor)

2000-01-01

Microgravity experiments aimed at quantifying effects of gentler via controlled sinusoidal forcing transmitted on the interface between two miscible liquids have shown the evolution of a quasi -stationary four-mode wave structure oriented vertically. The sensitivity of the wave structure to phase angle variation is investigated computationally. We show that a slight variation of the phase angle is sufficient to cause a bifurcation to a two-mode structure. The dependence of phase angle on wave structure is attributed to sensitivity on initial conditions due to the strong nonlinearity of the coupled field equations for the parametric space of interest.

Magnetorheological Finishing for Imprinting Continuous Phase Plate Structure onto Optical Surfaces

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

Menapace, J A; Dixit, S N; Genin, F Y

2004-01-05

Magnetorheological finishing (MRF) techniques have been developed to manufacture continuous phase plates (CPP's) and custom phase corrective structures on polished fused silica surfaces. These phase structures are important for laser applications requiring precise manipulation and control of beam-shape, energy distribution, and wavefront profile. The MRF's unique deterministic-sub-aperture polishing characteristics make it possible to imprint complex topographical information onto optical surfaces at spatial scale-lengths approaching 1 mm. In this study, we present the results of experiments and model calculations that explore imprinting two-dimensional sinusoidal structures. Results show how the MRF removal function impacts and limits imprint fidelity and what must bemore » done to arrive at a high quality surface. We also present several examples of this imprinting technology for fabrication of phase correction plates and CPPs for use at high fluences.« less

Pressure-induced structural phase transition in transition metal carbides TMC (TM = Ru, Rh, Pd, Os, Ir, Pt): a DFT study

NASA Astrophysics Data System (ADS)

Manikandan, M.; Rajeswarapalanichamy, R.; Iyakutti, K.

2018-03-01

First-principles calculations based on density functional theory was performed to analyse the structural stability of transition metal carbides TMC (TM = Ru, Rh, Pd, Os, Ir, Pt). It is observed that zinc-blende phase is the most stable one for these carbides. Pressure-induced structural phase transition from zinc blende to NiAs phase is predicted at the pressures of 248.5 GPa, 127 GPa and 142 GPa for OsC, IrC and PtC, respectively. The electronic structure reveals that RuC exhibits a semiconducting behaviour with an energy gap of 0.7056 eV. The high bulk modulus values of these carbides indicate that these metal carbides are super hard materials. The high B/G value predicts that the carbides are ductile in their most stable phase.

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

Hunter, Mark S.; Yoon, Chun Hong; DeMirci, Hasan

Structural information about biological macromolecules near the atomic scale provides important insight into the functions of these molecules. To date, X-ray crystallography has been the predominant method used for macromolecular structure determination. However, challenges exist when solving structures with X-rays, including the phase problem and radiation damage. X-ray-free electron lasers (X-ray FELs) have enabled collection of diffraction information before the onset of radiation damage, yet the majority of structures solved at X-ray FELs have been phased using external information via molecular replacement. De novo phasing at X-ray FELs has proven challenging due in part to per-pulse variations in intensity andmore » wavelength. Here we report the solution of a selenobiotinyl-streptavidin structure using phases obtained by the anomalous diffraction of selenium measured at a single wavelength (Se-SAD) at the Linac Coherent Light Source. Finally, our results demonstrate Se-SAD, routinely employed at synchrotrons for novel structure determination, is now possible at X-ray FELs.« less

Theoretical analysis of the structural phase transformation in the ZnO under high pressure

NASA Astrophysics Data System (ADS)

Verma, Saligram; Jain, Arvind; Nagarch, R. K.; Shah, S.; Kaurav, Netram

2018-05-01

We report a phenomenological model based calculation of pressure-induced structural phase transition and elastic properties of ZnO compound. Gibb's free energy is obtained as a function of pressure by applying an effective inter ionic interaction potential, which includes the long range Coulomb, van der Waals (vdW) interaction and the short-range repulsive interaction upto second-neighbor ions within the Hafemeister and Flygare approach. From the present study, we predict a structural phase transition from ZnS structure (B3) to NaCl structure (B1) at 8.5 GPa. The estimated value of the phase transition pressure (Pt) and the magnitude of the discontinuity in volume at the transition pressure are consistent as compared to the reported data. The variations of elastic constants with pressure follow a systematic trend identical to that observed in others compounds of ZnS type structure family.

Atomic structure solution of the complex quasicrystal approximant Al77Rh15Ru8 from electron diffraction data.

PubMed

Samuha, Shmuel; Mugnaioli, Enrico; Grushko, Benjamin; Kolb, Ute; Meshi, Louisa

2014-12-01

The crystal structure of the novel Al77Rh15Ru8 phase (which is an approximant of decagonal quasicrystals) was determined using modern direct methods (MDM) applied to automated electron diffraction tomography (ADT) data. The Al77Rh15Ru8 E-phase is orthorhombic [Pbma, a = 23.40 (5), b = 16.20 (4) and c = 20.00 (5) Å] and has one of the most complicated intermetallic structures solved solely by electron diffraction methods. Its structural model consists of 78 unique atomic positions in the unit cell (19 Rh/Ru and 59 Al). Precession electron diffraction (PED) patterns and high-resolution electron microscopy (HRTEM) images were used for the validation of the proposed atomic model. The structure of the E-phase is described using hierarchical packing of polyhedra and a single type of tiling in the form of a parallelogram. Based on this description, the structure of the E-phase is compared with that of the ε6-phase formed in Al-Rh-Ru at close compositions.

27Al-NMR studies of the structural phase transition in LaPd2Al2

NASA Astrophysics Data System (ADS)

Aoyama, Taisuke; Kobayashi, Fumiaki; Kotegawa, Hisashi; Tou, Hideki; Doležal, Petr; Kriegner, Dominik; Javorský, Pavel; Uhlířová, Klára

2018-05-01

We performed 27Al-NMR measurements for the CaBe2Ge2 type single crystalline LaPd2Al2 in the temperature range from 100 K to 5 K to investigate the origin of the structural phase transition. We found that the line profile of the 27Al-NMR spectrum does not change entirely on passing through the structural phase transition at Tst. Meanwhile, the peak position of the central line slightly change (≈ 30 ppm) below 70 K, suggesting the orbital shift changes below Tst. The present 27Al-NMR studies evidence that the local electronic state at Al site is hardly affected by the structural phase transition.

System technology analysis of aeroassisted orbital transfer vehicles: Moderate lift/drag (0.75-1.5). Volume 3: Cost estimates and work breakdown structure/dictionary, phase 1 and 2

NASA Technical Reports Server (NTRS)

1985-01-01

Technology payoffs of representative ground based (Phase 1) and space based (Phase 2) mid lift/drag ratio aeroassisted orbit transfer vehicles (AOTV) were assessed and prioritized. A narrative summary of the cost estimates and work breakdown structure/dictionary for both study phases is presented. Costs were estimated using the Grumman Space Programs Algorithm for Cost Estimating (SPACE) computer program and results are given for four AOTV configurations. The work breakdown structure follows the standard of the joint government/industry Space Systems Cost Analysis Group (SSCAG). A table is provided which shows cost estimates for each work breakdown structure element.

Phase transition in crystalline benzil : an infrared study of vibrational excitons.

NASA Astrophysics Data System (ADS)

Le Roy, A.; Et-Tabti, O.; Guérin, R.

1993-03-01

The molecular crystal of benzil, [C 6 H 5 CO] 2, is known to undergo a phase transition at T c = 84 K. The phase transition is from a high temperature trigonal phase with space group D 43 (P3 121) to a low temperature monoclinic phase with space group C 32 (C 2). This paper reports a study of the exciton structure of the infrared bands of benzil as a function of temperature in the vicinity of T c = 84 K. The benzil molecule belongs to the C 2 molecular point group. Group theoretical analysis of the exciton structure of infrared bands predicts two components for molecular B modes and one component for molecular A modes in the high temperature phase. Below T c all the internal modes of benzil are expected to split into two components. Our experimental results show that the A molecular modes are resolved in a doublet structure in the low temperature phase whereas only one component is observed above T c. The doublet structure of infrared bands is studied as a function of temperature in the vicinity of T c. These splittings of crystal states in the low temperature phase are found to be described by a ¦T c - T¦ β law. The temperature dependence of the doublet structure of internal B modes is also studied below and above T c.

Hierarchical phase space structure of dark matter haloes: Tidal debris, caustics, and dark matter annihilation

NASA Astrophysics Data System (ADS)

Afshordi, Niayesh; Mohayaee, Roya; Bertschinger, Edmund

2009-04-01

Most of the mass content of dark matter haloes is expected to be in the form of tidal debris. The density of debris is not constant, but rather can grow due to formation of caustics at the apocenters and pericenters of the orbit, or decay as a result of phase mixing. In the phase space, the debris assemble in a hierarchy that is truncated by the primordial temperature of dark matter. Understanding this phase structure can be of significant importance for the interpretation of many astrophysical observations and, in particular, dark matter detection experiments. With this purpose in mind, we develop a general theoretical framework to describe the hierarchical structure of the phase space of cold dark matter haloes. We do not make any assumption of spherical symmetry and/or smooth and continuous accretion. Instead, working with correlation functions in the action-angle space, we can fully account for the hierarchical structure (predicting a two-point correlation function ∝ΔJ-1.6 in the action space), as well as the primordial discreteness of the phase space. As an application, we estimate the boost to the dark matter annihilation signal due to the structure of the phase space within virial radius: the boost due to the hierarchical tidal debris is of order unity, whereas the primordial discreteness of the phase structure can boost the total annihilation signal by up to an order of magnitude. The latter is dominated by the regions beyond 20% of the virial radius, and is largest for the recently formed haloes with the least degree of phase mixing. Nevertheless, as we argue in a companion paper, the boost due to small gravitationally-bound substructure can dominate this effect at low redshifts.

A Study of Phase Composition and Structure of Alloys of the Al - Mg - Si - Fe System

NASA Astrophysics Data System (ADS)

Mailybaeva, A. D.; Zolotorevskii, V. S.; Smagulov, D. U.; Islamkulov, K. M.

2017-03-01

The Thermo-Calc software is used to compute the phase transformations occurring during cooling of alloys. Polythermal and isothermal sections of the phase diagram of the Al - Mg - Si - Fe system are plotted. The phase composition and the structure of aluminum alloys in cast condition and after a heat treatment are studied experimentally.

Electrical and Structural Origin of Self-Healing Phenomena in Pentacene Thin Films.

PubMed

Kang, Evan S H; Zhang, Hongbin; Donner, Wolfgang; von Seggern, Heinz

2017-04-01

Self-healing induced by structural phase transformation is demonstrated using pentacene field-effect transistors. During the self-healing process, the electrical properties at the pentacene interfaces improve due to the phase transformation from monolayer phase to thin-film phase. Enhanced mobility is confirmed by first-principles calculations. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Site preference of alloying elements in DO22-Ni3V phase: Phase-field and first-principles study

NASA Astrophysics Data System (ADS)

Zhang, Ding-Ni; Shangguan, Qian-Qian; Liu, Fu; Zhang, Ming-Yi

2015-07-01

Site preference of alloying elements in DO22-Ni3V phase was investigated using phase-field and first-principles method. The concentrations of alloying elements on sublattices of DO22-Ni3V phase were quantitatively studied using phase-field model based on microscopic diffusion equations. The phase-field computation results demonstrate that the concentration differences of alloying elements on the NiI and NiII site are attributed to the coordination environment difference. Host atoms Ni and substitutional ternary additions Al prefer to occupy NiI site. Antisite atoms V show site preference on the NiII site. Further reason of site preference of alloying elements on the two different Ni sites were studied using first-principles method to calculate the electronic structure of DO22-Ni3V phase. Calculation of density of states, orbitals population and charge population of the optimized Ni3V structure found that the electronic structures of NiI and NiII sites are different. Electronic structure difference, which is caused by coordination environment difference, is the essential reason for site selectivity behaviors of alloying elements on NiI and NiII sites.

S-phase-specific activation of Cds1 kinase defines a subpathway of the checkpoint response in Schizosaccharomyces pombe

PubMed Central

Lindsay, Howard D.; Griffiths, Dominic J.F.; Edwards, Rhian J.; Christensen, Per U.; Murray, Johanne M.; Osman, Fekret; Walworth, Nancy; Carr, Antony M.

1998-01-01

Checkpoints that respond to DNA structure changes were originally defined by the inability of yeast mutants to prevent mitosis following DNA damage or S-phase arrest. Genetic analysis has subsequently identified subpathways of the DNA structure checkpoints, including the reversible arrest of DNA synthesis. Here, we show that the Cds1 kinase is required to slow S phase in the presence of DNA-damaging agents. Cds1 is phosphorylated and activated by S-phase arrest and activated by DNA damage during S phase, but not during G1 or G2. Activation of Cds1 during S phase is dependent on all six checkpoint Rad proteins, and Cds1 interacts both genetically and physically with Rad26. Unlike its Saccharomyces cerevisiae counterpart Rad53, Cds1 is not required for the mitotic arrest checkpoints and, thus, defines an S-phase specific subpathway of the checkpoint response. We propose a model for the DNA structure checkpoints that offers a new perspective on the function of the DNA structure checkpoint proteins. This model suggests that an intrinsic mechanism linking S phase and mitosis may function independently of the known checkpoint proteins. PMID:9450932

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.

Structure of interphase chromosomes in the nuclei of Drosophila cells.

PubMed

Banfalvi, Gaspar

2006-10-01

Fluorescent images of interphase chromatin structures and chromosome structures isolated from reversibly permeable Drosophila cells were analyzed. Decondensed chromatin in early S phase (2.0-2.5 C-value) consisted of a veil-like fibrillary network. Fibrillar chromatin formed rodlets later in the early S phase (2.5-2.75 C). Drosophila chromosomes contain several smaller subunits called rodlets. Fibrillar chromatin turned to chromatin ribbon and the early mid-S-phase globular chromosomes (2.75-3.0 C), then to opened fibrous globular forms later in the mid-S-phase (3.0-3.25 C), to late-S-phase supercoiled ribbons (3.25-3.5 C), end-S-phase elongated prechromosomes (3.5-3.75 C), bent and linear chromosomes (3.75-4.0 C). Early-S phase chromatin fibrils in the nuclei of Drosophila cells are thinner than the veil-like structures in mammalian cells. The connectivity of chromosomes shows linear arrangement (3, 1, 2, 4), with larger chromosomes (1 and 2) inside and smaller chromosomes (3, 4) at the two ends in the chromosomal chain.

The phase diagram of water at negative pressures: virtual ices.

PubMed

Conde, M M; Vega, C; Tribello, G A; Slater, B

2009-07-21

The phase diagram of water at negative pressures as obtained from computer simulations for two models of water, TIP4P/2005 and TIP5P is presented. Several solid structures with lower densities than ice Ih, so-called virtual ices, were considered as possible candidates to occupy the negative pressure region of the phase diagram of water. In particular the empty hydrate structures sI, sII, and sH and another, recently proposed, low-density ice structure. The relative stabilities of these structures at 0 K was determined using empirical water potentials and density functional theory calculations. By performing free energy calculations and Gibbs-Duhem integration the phase diagram of TIP4P/2005 was determined at negative pressures. The empty hydrates sII and sH appear to be the stable solid phases of water at negative pressures. The phase boundary between ice Ih and sII clathrate occurs at moderate negative pressures, while at large negative pressures sH becomes the most stable phase. This behavior is in reasonable agreement with what is observed in density functional theory calculations.

Suppression of superconductivity and structural phase transitions under pressure in tetragonal FeS

DOE PAGES

Lai, Xiaofang; Liu, Ying; Lu, Xujie; ...

2016-08-08

Pressure is a powerful tool to study iron-based superconductors. Here, we report systematic high-pressure transport and structural characterizations of the newly discovered superconductor FeS. It is found that superconductor FeS (tetragonal) partly transforms to a hexagonal structure at 0.4 GPa, and then completely transforms to an orthorhombic phase at 7.4 GPa and finally to a monoclinic phase above 9.0 GPa. The superconducting transition temperature of tetragonal FeS was gradually depressed by pressure, different from the case in tetragonal FeSe. With pressure increasing, the S-Fe-S angles only slightly change but the anion height deviates farther from 1.38 Å. This change ofmore » anion height, together with the structural instability under pressure, should be closely related to the suppression of superconductivity. We also observed an anomalous metal-semiconductor transition at 6.0 GPa and an unusual increased resistance with further compression above 9.6 GPa. The former can be ascribed to the tetragonal-orthorhombic structural phase transition, and the latter to the electronic structure changes of the high-pressure monoclinic phase. Lastly, a phase diagram of tetragonal FeS as functions of pressure and temperature was mapped out for the first time, which will shed new light on understanding of the structure and physics of the superconducting FeS.« less

Reconstructive structural phase transitions in dense Mg

NASA Astrophysics Data System (ADS)

Yao, Yansun; Klug, Dennis D.

2012-07-01

The question raised recently about whether the high-pressure phase transitions of Mg follow a hexagonal close-packed (hcp) → body centered cubic (bcc) or hcp → double hexagonal close-packed (dhcp) → bcc sequence at room temperature is examined by the use of first principles density functional methods. Enthalpy calculations show that the bcc structure replaces the hcp structure to become the most stable structure near 48 GPa, whereas the dhcp structure is never the most stable structure in the pressure range of interest. The characterized phase-transition mechanisms indicate that the hcp → dhcp transition is also associated with a higher enthalpy barrier. At room temperature, the structural sequence hcp → bcc is therefore more energetically favorable for Mg. The same conclusion is also reached from the simulations of the phase transitions using metadynamics methods. At room temperature, the metadynamics simulations predict the onset of a hcp → bcc transition at 40 GPa and the transition becomes more prominent upon further compression. At high temperatures, the metadynamics simulations reveal a structural fluctuation among the hcp, dhcp, and bcc structures at 15 GPa. With increasing pressure, the structural evolution at high temperatures becomes more unambiguous and eventually settles to a bcc structure once sufficient pressure is applied.

Reconstructive structural phase transitions in dense Mg.

PubMed

Yao, Yansun; Klug, Dennis D

2012-07-04

The question raised recently about whether the high-pressure phase transitions of Mg follow a hexagonal close-packed (hcp) → body centered cubic (bcc) or hcp → double hexagonal close-packed (dhcp) → bcc sequence at room temperature is examined by the use of first principles density functional methods. Enthalpy calculations show that the bcc structure replaces the hcp structure to become the most stable structure near 48 GPa, whereas the dhcp structure is never the most stable structure in the pressure range of interest. The characterized phase-transition mechanisms indicate that the hcp → dhcp transition is also associated with a higher enthalpy barrier. At room temperature, the structural sequence hcp → bcc is therefore more energetically favorable for Mg. The same conclusion is also reached from the simulations of the phase transitions using metadynamics methods. At room temperature, the metadynamics simulations predict the onset of a hcp → bcc transition at 40 GPa and the transition becomes more prominent upon further compression. At high temperatures, the metadynamics simulations reveal a structural fluctuation among the hcp, dhcp, and bcc structures at 15 GPa. With increasing pressure, the structural evolution at high temperatures becomes more unambiguous and eventually settles to a bcc structure once sufficient pressure is applied.

High pressure–low temperature phase diagram of barium: Simplicity versus complexity

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

Desgreniers, Serge; Tse, John S., E-mail: John.Tse@usask.ca; State Key Laboratory of Superhard Materials, Jilin University, 130012 Changchun

2015-11-30

Barium holds a distinctive position among all elements studied upon densification. Indeed, it was the first example shown to violate the long-standing notion that high compression of simple metals should preserve or yield close-packed structures. From modest pressure conditions at room temperature, barium transforms at higher pressures from its simple structures to the extraordinarily complex atomic arrangements of the incommensurate and self-hosting Ba-IV phases. By a detailed mapping of the pressure/temperature structures of barium, we demonstrate the existence of another crystalline arrangement of barium, Ba-VI, at low temperature and high pressure. The simple structure of Ba-VI is unlike that ofmore » complex Ba-IV, the phase encountered in a similar pressure range at room temperature. First-principles calculations predict Ba-VI to be stable at high pressure and superconductive. The results illustrate the complexity of the low temperature-high pressure phase diagram of barium and the significant effect of temperature on structural phase transformations.« less

Characterizing the correlations between local phase fractions of gas-liquid two-phase flow with wire-mesh sensor.

PubMed

Tan, C; Liu, W L; Dong, F

2016-06-28

Understanding of flow patterns and their transitions is significant to uncover the flow mechanics of two-phase flow. The local phase distribution and its fluctuations contain rich information regarding the flow structures. A wire-mesh sensor (WMS) was used to study the local phase fluctuations of horizontal gas-liquid two-phase flow, which was verified through comparing the reconstructed three-dimensional flow structure with photographs taken during the experiments. Each crossing point of the WMS is treated as a node, so the measurement on each node is the phase fraction in this local area. An undirected and unweighted flow pattern network was established based on connections that are formed by cross-correlating the time series of each node under different flow patterns. The structure of the flow pattern network reveals the relationship of the phase fluctuations at each node during flow pattern transition, which is then quantified by introducing the topological index of the complex network. The proposed analysis method using the WMS not only provides three-dimensional visualizations of the gas-liquid two-phase flow, but is also a thorough analysis for the structure of flow patterns and the characteristics of flow pattern transition. This article is part of the themed issue 'Supersensing through industrial process tomography'. © 2016 The Author(s).

Characterizing the correlations between local phase fractions of gas–liquid two-phase flow with wire-mesh sensor

PubMed Central

Liu, W. L.; Dong, F.

2016-01-01

Understanding of flow patterns and their transitions is significant to uncover the flow mechanics of two-phase flow. The local phase distribution and its fluctuations contain rich information regarding the flow structures. A wire-mesh sensor (WMS) was used to study the local phase fluctuations of horizontal gas–liquid two-phase flow, which was verified through comparing the reconstructed three-dimensional flow structure with photographs taken during the experiments. Each crossing point of the WMS is treated as a node, so the measurement on each node is the phase fraction in this local area. An undirected and unweighted flow pattern network was established based on connections that are formed by cross-correlating the time series of each node under different flow patterns. The structure of the flow pattern network reveals the relationship of the phase fluctuations at each node during flow pattern transition, which is then quantified by introducing the topological index of the complex network. The proposed analysis method using the WMS not only provides three-dimensional visualizations of the gas–liquid two-phase flow, but is also a thorough analysis for the structure of flow patterns and the characteristics of flow pattern transition. This article is part of the themed issue ‘Supersensing through industrial process tomography’. PMID:27185959

Phase decomposition of γ-U (bcc) in U-10 wt% Mo fuel alloy during hot isostatic pressing of monolithic fuel plate

NASA Astrophysics Data System (ADS)

Park, Y.; Eriksson, N.; Newell, R.; Keiser, D. D.; Sohn, Y. H.

2016-11-01

Eutectoid decomposition of γ-phase (cI2) into α-phase (oC4) and γ‧-phase (tI6) during the hot isostatic pressing (HIP) of the U-10 wt% Mo (U10Mo) alloy was investigated using monolithic fuel plate samples consisting of U10Mo fuel alloy, Zr diffusion barrier and AA6061 cladding. The decomposition of the γ-phase was observed because the HIP process is carried out near the eutectoid temperature, 555 °C. Initially, a cellular structure, consisting of γ‧-phase surrounded by α-phase, developed from the destabilization of the γ-phase. The cellular structure further developed into an alternating lamellar structure of α- and γ‧-phases. Using scanning electron microscopy and transmission electron microscopy, qualitative and quantitative microstructural analyses were carried out to identify the phase constituents, and elucidate the microstructural development based on time-temperature-transformation diagram of the U10Mo alloy. The destabilization of γ -phase into α- and γ‧-phases would be minimized when HIP process was carried out with rapid ramping/cooling rate and dwell temperature higher than 560 °C.

The phase diagrams of KCaF3 and NaMgF3 by ab initio simulations

NASA Astrophysics Data System (ADS)

Jakymiw, Clément; Vočadlo, Lidunka; Dobson, David P.; Bailey, Edward; Thomson, Andrew R.; Brodholt, John P.; Wood, Ian G.; Lindsay-Scott, Alex

2018-04-01

ABF3 compounds have been found to make valuable low-pressure analogues for high-pressure silicate phases that are present in the Earth's deep interior and that may also occur in the interiors of exoplanets. The phase diagrams of two of these materials, KCaF3 and NaMgF3, have been investigated in detail by static ab initio computer simulations based on density functional theory. Six ABF3 polymorphs were considered, as follows: the orthorhombic perovskite structure (GdFeO3-type; space group Pbnm); the orthorhombic CaIrO3 structure ( Cmcm; commonly referred to as the "post-perovskite" structure); the orthorhombic Sb2S3 and La2S3 structures (both Pmcn); the hexagonal structure previously suggested in computer simulations of NaMgF3 ( P63/ mmc); the monoclinic structure found to be intermediate between the perovskite and CaIrO3 structures in CaRhO3 ( P21/ m). Volumetric and axial equations of state of all phases considered are presented. For KCaF3, as expected, the perovskite phase is shown to be the most thermodynamically stable at atmospheric pressure. With increasing pressure, the relative stability of the KCaF3 phases then follows the sequence: perovskite → La2S3 structure → Sb2S3 structure → P63/ mmc structure; the CaIrO3 structure is never the most stable form. Above about 2.6 GPa, however, none of the KCaF3 polymorphs are stable with respect to dissociation into KF and CaF2. The possibility that high-pressure KCaF3 polymorphs might exist metastably at 300 K, or might be stabilised by chemical substitution so as to occur within the standard operating range of a multi-anvil press, is briefly discussed. For NaMgF3, the transitions to the high-pressure phases occur at pressures outside the normal range of a multi-anvil press. Two different sequences of transitions had previously been suggested from computer simulations. With increasing pressure, we find that the relative stability of the NaMgF3 phases follows the sequence: perovskite → CaIrO3 structure → Sb2S3 structure → P63/ mmc structure. However, only the perovskite and CaIrO3 structures are stable with respect to dissociation into NaF and MgF2.

Automated de novo phasing and model building of coiled-coil proteins.

PubMed

Rämisch, Sebastian; Lizatović, Robert; André, Ingemar

2015-03-01

Models generated by de novo structure prediction can be very useful starting points for molecular replacement for systems where suitable structural homologues cannot be readily identified. Protein-protein complexes and de novo-designed proteins are examples of systems that can be challenging to phase. In this study, the potential of de novo models of protein complexes for use as starting points for molecular replacement is investigated. The approach is demonstrated using homomeric coiled-coil proteins, which are excellent model systems for oligomeric systems. Despite the stereotypical fold of coiled coils, initial phase estimation can be difficult and many structures have to be solved with experimental phasing. A method was developed for automatic structure determination of homomeric coiled coils from X-ray diffraction data. In a benchmark set of 24 coiled coils, ranging from dimers to pentamers with resolutions down to 2.5 Å, 22 systems were automatically solved, 11 of which had previously been solved by experimental phasing. The generated models contained 71-103% of the residues present in the deposited structures, had the correct sequence and had free R values that deviated on average by 0.01 from those of the respective reference structures. The electron-density maps were of sufficient quality that only minor manual editing was necessary to produce final structures. The method, named CCsolve, combines methods for de novo structure prediction, initial phase estimation and automated model building into one pipeline. CCsolve is robust against errors in the initial models and can readily be modified to make use of alternative crystallographic software. The results demonstrate the feasibility of de novo phasing of protein-protein complexes, an approach that could also be employed for other small systems beyond coiled coils.

Modulated structures and associated microstructures in the ferroelectric phase of Ba1-xSrxAl2O4 for 0.7 ≤ x ≤ 1.0

NASA Astrophysics Data System (ADS)

Tsukasaki, Hirofumi; Ishii, Yui; Tanaka, Eri; Kurushima, Kosuke; Mori, Shigeo

2016-01-01

In order to understand the ferroelectric and ferroelastic phases in Ba1-xSrxAl2O4 for 0.7 ≤ x ≤ 1.0, we have investigated the crystal structures and their associated microstructures of the ferroelectric and ferroelastic phases mainly by transmission electron microscopy (TEM) and scanning transmission electron microscopy-high-angle angular dark-field (STEM-HAADF) experiments, combined with powder X-ray diffraction experiments. Electron diffraction experiments showed that the ferroelectric and ferroelastic phases of Ba1-xSrxAl2O4 for 0.7 ≤ x ≤ 1.0 should be characterized as a modulated structure with the modulation vector of \\boldsymbol{{q}} = 0,1/2,0, whose space group should be monoclinic P21. High-resolution TEM experiments revealed that the microstructures in the monoclinic phase can be characterized as twin structures and nanometer-sized planar defects due to the monoclinic structure with the modulated structures, which are responsible for anomalous elastic behaviors and mechanoelectro-optical properties. In addition, subatomic-resolution STEM-HAADF images clearly indicated that the displacement of Al3+ ions involved in the AlO4 tetrahedra should play a crucial role in the formation of the modulated structures and twin structures.

Airflow-aligned helical nanofilament (B4) phase in topographic confinement

PubMed Central

Gim, Min-Jun; Kim, Hanim; Chen, Dong; Shen, Yongqiang; Yi, Youngwoo; Korblova, Eva; Walba, David M.; Clark, Noel A.; Yoon, Dong Ki

2016-01-01

We investigated a controlled helical nanofilament (HNF: B4) phase under topographic confinement with airflow that can induce a shear force and temperature gradient on the sample. The resulting orientation and ordering of the B4 phase in this combinational effort was directly investigated using microscopy. The structural freedom of the complex B7 phase, which is a higher temperature phase than the B4 phase, can result in relatively complex microscopic arrangements of HNFs compared with the B4 phase generated from the simple layer structure of the B2 phase. This interesting chiral/polar nanofilament behaviour offers new opportunities for further exploration of the exotic physical properties of the B4 phase. PMID:27384747

Design, analysis, and test verification of advanced encapsulation systems

NASA Technical Reports Server (NTRS)

Mardesich, N.; Minning, C.

1982-01-01

Design sensitivities are established for the development of photovoltaic module criteria and the definition of needed research tasks. The program consists of three phases. In Phase I, analytical models were developed to perform optical, thermal, electrical, and structural analyses on candidate encapsulation systems. From these analyses several candidate systems will be selected for qualification testing during Phase II. Additionally, during Phase II, test specimens of various types will be constructed and tested to determine the validity of the analysis methodology developed in Phase I. In Phse III, a finalized optimum design based on knowledge gained in Phase I and II will be developed. All verification testing was completed during this period. Preliminary results and observations are discussed. Descriptions of the thermal, thermal structural, and structural deflection test setups are included.

Phase transformations in the reaction cell of TiNi-based sintered systems

NASA Astrophysics Data System (ADS)

Artyukhova, Nadezhda; Anikeev, Sergey; Yasenchuk, Yuriy; Chekalkin, Timofey; Gunther, Victor; Kaftaranova, Maria; Kang, Ji-Hoon; Kim, Ji-Soon

2018-05-01

The present work addresses the structural-phase state changes of porous TiNi-based compounds fabricated by reaction sintering (RS) of Ti and Ni powders with Co, Mo, and no additives introduced. The study also emphasizes the features of a reaction cell (RC) during the transition from the solid- to liquid-phase sintering. Mechanisms of phase transformations occurring in the solid phase, involving the low-melting Ti2Ni phase within the RC, have been highlighted. Also, the intermediate Ti2Ni phase had a crucial role to provide both the required RS behavior and modified phase composition of RS samples, and besides, it is found to be responsible for the near-equiatomic TiNi saturation of the melt. Both cobalt and molybdenum additives are shown to cause additional structuring of the transition zone (TZ) at the Ti2Ni‑TiNi interface and broadening of this zone. The impact of Co and Mo on the Ti2Ni phase is evident through fissuring of this phase layer, which is referred to solidified stresses increased in the layer due to post-alloying defects in the structure.

Phase Structure of Strong-Field Tunneling Wave Packets from Molecules.

PubMed

Liu, Ming-Ming; Li, Min; Wu, Chengyin; Gong, Qihuang; Staudte, André; Liu, Yunquan

2016-04-22

We study the phase structure of the tunneling wave packets from strong-field ionization of molecules and present a molecular quantum-trajectory Monte Carlo model to describe the laser-driven dynamics of photoelectron momentum distributions of molecules. Using our model, we reproduce and explain the alignment-dependent molecular frame photoelectron spectra of strong-field tunneling ionization of N_{2} reported by M. Meckel et al. [Nat. Phys. 10, 594 (2014)]. In addition to modeling the low-energy photoelectron angular distributions quantitatively, we extract the phase structure of strong-field molecular tunneling wave packets, shedding light on its physical origin. The initial phase of the tunneling wave packets at the tunnel exit depends on both the initial transverse momentum distribution and the molecular internuclear distance. We further show that the ionizing molecular orbital has a critical effect on the initial phase of the tunneling wave packets. The phase structure of the photoelectron wave packet is a key ingredient for modeling strong-field molecular photoelectron holography, high-harmonic generation, and molecular orbital imaging.

Pressure-induced amorphization of YVO₄:Eu³⁺ nanoboxes.

PubMed

Ruiz-Fuertes, J; Gomis, O; León-Luis, S F; Schrodt, N; Manjón, F J; Ray, S; Santamaría-Pérez, D; Sans, J A; Ortiz, H M; Errandonea, D; Ferrer-Roca, C; Segura, A; Martínez-García, D; Lavín, V; Rodríguez-Mendoza, U R; Muñoz, A

2016-01-15

A structural transformation from the zircon-type structure to an amorphous phase has been found in YVO4:Eu(3+) nanoboxes at high pressures above 12.7 GPa by means of x-ray diffraction measurements. However, the pair distribution function of the high-pressure phase shows that the local structure of the amorphous phase is similar to the scheelite-type YVO4. These results are confirmed both by Raman spectroscopy and Eu(3+) photoluminescence which detect the phase transition to a scheelite-type structure at 10.1 and 9.1 GPa, respectively. The irreversibility of the phase transition is observed with the three techniques after a maximum pressure in the upstroke of around 20 GPa. The existence of two (5)D0-->(7)F0 photoluminescence peaks confirms the existence of two local environments for Eu(3+), at least for the low-pressure phase. One environment is the expected for substituting Y(3+) and the other is likely a disordered environment possibly found at the surface of the nanoboxes.

Pressure-induced Lifshitz and structural transitions in NbAs and TaAs: experiments and theory.

PubMed

Gupta, Satyendra Nath; Singh, Anjali; Pal, Koushik; Muthu, D V S; Shekhar, C; Elghazali, Moaz A; Naumov, Pavel G; Medvedev, Sergey A; Felser, C; Waghmare, U V; Sood, A K

2018-05-10

High pressure Raman, resistivity and synchrotron x-ray diffraction studies on Weyl semimetals NbAs and TaAs have been carried out along with density functional theoretical (DFT) analysis to explain pressure induced structural and electronic topological phase transitions. The frequencies of first order Raman modes harden with increasing pressure, exhibiting a slope change at [Formula: see text] GPa for NbAs and [Formula: see text] GPa for TaAs. The resistivities of NbAs and TaAs exhibit a minimum at pressures close to these transition pressures and also a change in the bulk modulus is observed. Our first-principles calculations reveal that the transition is associated with an electronic Lifshitz transition at [Formula: see text] for NbAs while it is a structural phase transition from body centered tetragonal to hexagonal phase at [Formula: see text] for TaAs. Further, our DFT calculations show a structural phase transition at 24 GPa from body centered tetragonal phase to hexagonal phase.

Modulated nematic structures induced by chirality and steric polarization

NASA Astrophysics Data System (ADS)

Longa, Lech; PajÄ k, Grzegorz

2016-04-01

What kind of one-dimensional modulated nematic structures (ODMNS) can form nonchiral and chiral bent-core and dimeric materials? Here, using the Landau-de Gennes theory of nematics, extended to account for molecular steric polarization, we study a possibility of formation of ODMNS, both in nonchiral and intrinsically chiral liquid crystalline materials. Besides nematic and cholesteric phases, we find four bulk ODMNS for nonchiral materials, two of which, to the best of our knowledge, have not been reported so far. These two structures are longitudinal (NLP) and transverse (NTP) periodic waves where the polarization field being periodic in one dimension stays parallel and perpendicular, respectively, to the wave vector. The other two phases are the twist-bend nematic phase (NTB) and the splay-bend nematic phase (NSB), but their fine structure appears more complex than that considered so far. The presence of molecular chirality converts nonchiral NTP and NSB into new NTB phases. Surprisingly, the nonchiral NLP phase can stay stable even in the presence of intrinsic chirality.

Formation of an Anti-Core–Shell Structure in Layered Oxide Cathodes for Li-Ion Batteries

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

Zhang, Hanlei; Omenya, Fredrick; Whittingham, M. Stanley

The layered → rock-salt phase transformation in the layered dioxide cathodes for Li-ion batteries is believed to result in a “core-shell” structure of the primary particles, in which the core region maintains as the layered phase while the surface region undergoes the phase transformation to the rock-salt phase. Using transmission electron microscopy, here we demonstrate the formation of an “anti-core-shell” structure in cycled primary particles with a formula of LiNi0.80Co0.15Al0.05O2, in which the surface and subsurface regions remain as the layered structure while the rock-salt phase forms as domains in the bulk with a thin layer of the spinel phasemore » between the rock-salt core and the skin of the layered phase. Formation of this anti-core-shell structure is attributed to the oxygen loss at the surface that drives the migration of oxygen from the bulk to the surface, thereby resulting in localized areas of significantly reduced oxygen levels in the bulk of the particle, which subsequently undergoes the phase transformation to the rock-salt domains. The formation of the anti-core-shell rock-salt domains is responsible for the reduced capacity, discharge voltage and ionic conductivity in cycled cathode.« less

Effect of heat treatment on morphology evolution of Ti2Ni phase in Ti-Ni-Al-Zr alloy

NASA Astrophysics Data System (ADS)

Sheng, Liyuan; Yang, Yang; Xi, Tingfei

2018-03-01

The Ti6Al2Zr alloy with 15 wt.% Ni addition was prepared and then heat treated in the research. The microstructure of the alloy and evolution of Ti2Ni precipitate were investigated. The microstructure observations demonstrate that the Ni addition could promote the formation of eutectoid and eutectic structures in Ti-Al-Zr alloy. In the eutectoid structure, the ultrafine Ti2Ni fiber precipitates in the α-Ti matrix, but in the eutectic structure, the fine α-Ti phases precipitate in the Ti2Ni matrix. The heat treatment could change the morphology of Ti2Ni precipitates by thinning, fragmenting, merging and spherizing. In the alloy heat treated at and below 1073K, the coarsening of α-Ti precipitates in eutectic structure and Ti2Ni precipitates in eutectoid structure is the mainly characteristic. In the alloy heat treated above 1073K, the phase transformation of α to β phase is the main characteristic, which changes the morphology and amount of Ti2Ni phase by the solid solution of Ni. The phase transformation temperature of Ti-Ni-Al-Zr alloy is between 1073-1123K, which is increased compared with that of the Ti-Ni binary phase diagram.

Statistical anisotropy in free turbulence for mixing layers at high Reynolds numbers

NASA Astrophysics Data System (ADS)

Gardner, Patrick J.; Roggemann, Michael C.; Welsh, Byron M.; Bowersox, Rodney D.; Luke, Theodore E.

1996-08-01

A lateral shearing interferometer was used to measure the slope of perturbed wave fronts after propagating through free turbulent mixing layers. Shearing interferometers provide a two-dimensional flow visualization that is nonintrusive. Slope measurements were used to reconstruct the phase of the turbulence-corrupted wave front. The random phase fluctuations induced by the mixing layer were captured in a large ensemble of wave-front measurements. Experiments were performed on an unbounded, plane shear mixing layer of helium and nitrogen gas at fixed velocities and high Reynolds numbers for six locations in the flow development. Statistical autocorrelation functions and structure functions were computed on the reconstructed phase maps. The autocorrelation function results indicated that the turbulence-induced phase fluctuations were not wide-sense stationary. The structure functions exhibited statistical homogeneity, indicating that the phase fluctuations were stationary in first increments. However, the turbulence-corrupted phase was not isotropic. A five-thirds power law is shown to fit orthogonal slices of the structure function, analogous to the Kolmogorov model for isotropic turbulence. Strehl ratios were computed from the phase structure functions and compared with classical estimates that assume isotropy. The isotropic models are shown to overestimate the optical degradation by nearly 3 orders of magnitude compared with the structure function calculations.

Crystallographic features of the approximant H (Mn7Si2V) phase in the Mn-Si-V alloy system

NASA Astrophysics Data System (ADS)

Nakayama, Kei; Komatsuzaki, Takumi; Koyama, Yasumasa

2018-07-01

The intermetallic compound H (Mn7Si2V) phase in the Mn-Si-V alloy system can be regarded as an approximant phase of the dodecagonal quasicrystal as one of the two-dimensional quasicrystals. To understand the features of the approximant H phase, in this study, the crystallographic features of both the H phase and the (σ → H) reaction in Mn-Si-V alloy samples were investigated, mainly by transmission electron microscopy. It was found that, in the H phase, there were characteristic structural disorders with respect to an array of a dodecagonal structural unit consisting of 19 dodecagonal atomic columns. Concretely, penetrated structural units consisting of two dodecagonal structural units were presumed to be typical of such disorders. An interesting feature of the (σ → H) reaction was that regions with a rectangular arrangement of penetrated structural units (RAPU) first appeared in the σ matrix as the initial state, and H regions were then nucleated in contact with RAPU regions. The subsequent conversion of RAPU regions into H regions eventually resulted in the formation of the approximant H state as the final state. Furthermore, atomic positions in both the H structure and the dodecagonal quasicrystal were examined using a simple plane-wave model with 12 plane waves.

Structure, phase transitions, and isotope effects in [(CH3)4N]2PuCl6

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

Wilson, Richard E.

2015-11-02

The single crystal X-ray diffraction structure of [(CH3)4N]2PuCl6 is presented for the first time, resolving long standing confusion and speculation regarding the structure of this compound in the literature. A temperature dependent study of this compound shows that the structure of [(CH3)4N]2PuCl6 undergoes no fewer than two phase transitions between 100 and 360 K. The phase of [(CH3)4N]2PuCl6 at room temperature is Fd-3c a = 26.012(3) Å. At 360 K, the structure is in space group Fm-3m with a = 13.088(1) Å. The plutonium octahedra and tetramethylammonium cations undergo a rotative displacement and the degree of rotation varies with temperature,more » giving rise to the phase transition from Fm-3m to Fd-3c as the crystal is cooled. Synthesis and structural studies of the deuterated salt [(CD3)4N]2PuCl6 suggest that there is an isotopic effect associated with this phase transition as revealed by a changing transition temperature in the deuterated versus protonated compound indicating that the donor-acceptor interactions between the tetramethylammonium cations and the hexachloroplutonate anions are driving the phase transformation.« less

Phase stabilities at a glance: Stability diagrams of nickel dipnictides

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

Bachhuber, F.; School of Chemical Sciences, The University of Auckland, Private Bag 92019, Auckland; Rothballer, J.

2013-12-07

In the course of the recent advances in chemical structure prediction, a straightforward type of diagram to evaluate phase stabilities is presented based on an expedient example. Crystal structures and energetic stabilities of dipnictides NiPn{sub 2} (Pn = N, P, As, Sb, Bi) are systematically investigated by first principles calculations within the framework of density functional theory using the generalized gradient approximation to treat exchange and correlation. These dipnictides show remarkable polymorphism that is not yet understood systematically and offers room for the discovery of new phases. Relationships between the concerned structures including the marcasite, the pyrite, the arsenopyrite/CoSb{sub 2},more » and the NiAs{sub 2} types are highlighted by means of common structural fragments. Electronic stabilities of experimentally known and related AB{sub 2} structure types are presented graphically in so-called stability diagrams. Additionally, competing binary phases are taken into consideration in the diagrams to evaluate the stabilities of the title compounds with respect to decomposition. The main purpose of the stability diagrams is the introduction of an image that enables the estimation of phase stabilities at a single glance. Beyond that, some of the energetically favored structure types can be identified as potential new phases.« 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.

Microstructural Evolution and Phase Formation in Rapidly Solidified Ni-25.3 At. Pct Si Alloy

NASA Astrophysics Data System (ADS)

Cao, Leigang; Cochrane, Robert F.; Mullis, Andrew M.

2015-10-01

The drop-tube technique was used to solidify droplets of the Ni-25.3 at. pct Si alloy at high cooling rates. XRD, SEM, and TEM analysis revealed that the metastable phase, Ni25Si9, formed as the dominant phase in all ranges of the droplets, with γ-Ni31Si12 and β 1-Ni3Si also being present. Three different microstructures were observed: the regular and anomalous eutectic structures and near single-phase structure containing small inclusions of a second phase, termed here as heteroclite structure. Both eutectic structures comprise alternating lamellae of Ni25Si9 and β 1-Ni3Si, which, we conjecture, is a consequence of an unobserved eutectic reaction between the Ni25Si9 and β 1-Ni3Si phases. The matrix of the heteroclite structure is also identified as the metastable phase Ni25Si9, in which twined growth is observed in the TEM. As the cooling rate is increased (particle size decreased), the proportion of droplets displaying the entire heteroclite structure tends to increase, with its fraction increasing from 13.91 pct (300 to 500 µm) to 40.10 pct (75 to 106 µm). The thermodynamic properties of the Ni25Si9 phase were also studied by in-situ heating during XRD analysis and by DTA. This showed the decomposition of Ni25Si9 to β 1 and γ-Ni31Si12 for temperatures in excess of 790 K (517 °C).

Structural, electronic, mechanical and magnetic properties of rare earth nitrides REN (RE= Pm, Eu and Yb)

NASA Astrophysics Data System (ADS)

Murugan, A.; Rajeswarapalanichamy, R.; Santhosh, M.; Iyakutti, K.

2015-07-01

The structural, electronic and mechanical properties of rare earth nitrides REN (RE=Pm, Eu and Yb) are investigated in NaCl and CsCl, and zinc blende structures using first principles calculations based on density functional theory. The calculated lattice parameters are in good agreement with the available results. Among the considered structures, these nitrides are most stable in NaCl structure. A pressure induced structural phase transition from NaCl to CsCl phase is observed in all these nitrides. The electronic structure reveals that these rare earth nitrides are half metallic at normal pressure. These nitrides are found to be covalent and ionic in the stable phase. The computed elastic constants indicate that these nitrides are mechanically stable and elastically anisotropic. Our results confirm that these nitrides are ferromagnetic in nature. A ferromagnetic to non-magnetic phase transition is observed at the pressures of 21.5 GPa and 46.1 GPa in PmN and YbN respectively.

Structural phase study in un-patterned and patterned PVDF semi-crystalline films

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

Pramod, K., E-mail: rameshg.phy@pondiuni.edu.in; Gangineni, Ramesh Babu, E-mail: rameshg.phy@pondiuni.edu.in

2014-04-24

This work explores the structural phase studies of organic polymer- polyvinylidene fluoride (PVDF) thin films in semi-crystallized phase and nano-patterned PVDF thin films. The nanopatterns are transferred with the CD layer as a master using soft lithography technique. The semi-crystalline PVDF films were prepared by a still and hot (SH) method, using a homemade spin coater that has the proficiency of substrate heating by a halogen lamp. Using this set up, smooth PVDF thin films in semi-crystalline α-phase were prepared using 2-Butanone as solvent. XRD, AFM and confocal Raman microscope have been utilized to study the structural phase, crystallinity andmore » quality of the films.« less