High hardness in the biocompatible intermetallic compound β-Ti3Au.

PubMed

Svanidze, Eteri; Besara, Tiglet; Ozaydin, M Fevsi; Tiwary, Chandra Sekhar; Wang, Jiakui K; Radhakrishnan, Sruthi; Mani, Sendurai; Xin, Yan; Han, Ke; Liang, Hong; Siegrist, Theo; Ajayan, Pulickel M; Morosan, E

2016-07-01

The search for new hard materials is often challenging, but strongly motivated by the vast application potential such materials hold. Ti3Au exhibits high hardness values (about four times those of pure Ti and most steel alloys), reduced coefficient of friction and wear rates, and biocompatibility, all of which are optimal traits for orthopedic, dental, and prosthetic applications. In addition, the ability of this compound to adhere to ceramic parts can reduce both the weight and the cost of medical components. The fourfold increase in the hardness of Ti3Au compared to other Ti-Au alloys and compounds can be attributed to the elevated valence electron density, the reduced bond length, and the pseudogap formation. Understanding the origin of hardness in this intermetallic compound provides an avenue toward designing superior biocompatible, hard materials.

Unique intermetallic compounds prepared by shock wave synthesis

NASA Technical Reports Server (NTRS)

Otto, G.; Reece, O. Y.; Roy, U.

1971-01-01

Technique compresses fine ground metallic powder mixture beyond crystal fusion point. Absence of vapor pressure voids and elimination of incongruous effects permit application of technique to large scale fabrication of intermetallic compounds with specific characteristics, e.g., semiconduction, superconduction, or magnetic properties.

Control Al/Mg intermetallic compound formation during ultrasonic-assisted soldering Mg to Al.

PubMed

Xu, Zhiwu; Li, Zhengwei; Li, Jiaqi; Ma, Zhipeng; Yan, Jiuchun

2018-09-01

To prevent the formation of Al/Mg intermetallic compounds (IMCs) of Al 3 Mg 2 and Al 12 Mg 17 , dissimilar Al/Mg were ultrasonic-assisted soldered using Sn-based filler metals. A new IMC of Mg 2 Sn formed in the soldered joints during this process and it was prone to crack at large thickness. The thickness of Mg 2 Sn was reduced to 22 μm at 285 °C when using Sn-3Cu as the filler metal. Cracks were still observed inside the blocky Mg 2 Sn. The thickness of Mg 2 Sn was significantly reduced when using Sn-9Zn as the filler metal. A 17 μm Mg 2 Sn layer without crack was obtained at a temperature of 200 °C, ultrasonic power of Mode I, and ultrasonic time of 2 s. The shear strengths of the joints using Sn-9Zn was much higher than those using Sn-3Cu because of the thinner Mg 2 Sn layer in the former joints. Sn whiskers were prevented by using Sn-9Zn. A cavitation model during ultrasonic assisted soldering was proposed. Copyright © 2018 Elsevier B.V. All rights reserved.

High hardness in the biocompatible intermetallic compound β-Ti3Au

PubMed Central

Svanidze, Eteri; Besara, Tiglet; Ozaydin, M. Fevsi; Tiwary, Chandra Sekhar; Wang, Jiakui K.; Radhakrishnan, Sruthi; Mani, Sendurai; Xin, Yan; Han, Ke; Liang, Hong; Siegrist, Theo; Ajayan, Pulickel M.; Morosan, E.

2016-01-01

The search for new hard materials is often challenging, but strongly motivated by the vast application potential such materials hold. Ti3Au exhibits high hardness values (about four times those of pure Ti and most steel alloys), reduced coefficient of friction and wear rates, and biocompatibility, all of which are optimal traits for orthopedic, dental, and prosthetic applications. In addition, the ability of this compound to adhere to ceramic parts can reduce both the weight and the cost of medical components. The fourfold increase in the hardness of Ti3Au compared to other Ti–Au alloys and compounds can be attributed to the elevated valence electron density, the reduced bond length, and the pseudogap formation. Understanding the origin of hardness in this intermetallic compound provides an avenue toward designing superior biocompatible, hard materials. PMID:27453942

The intermetallic formation and growth kinetics at the interface of near eutectic tin-silver-copper solder alloys and gold/nickel metallization

NASA Astrophysics Data System (ADS)

Gao, Mao

The formation of a one micron thick layer of an intermetallic compound between a solder alloy and a metallic substrate generally constitutes a good solder joint in an electronic device. However, if the compound grows too thick, and/or if multiple intermetallic compounds form, poor solder joint reliability may result. Thus significant interest has been focused on intermetallic compound phase selection and growth kinetics at such solder/metal interfaces. The present study focuses on one such specific problem, the formation and growth of intermetallic compounds at near eutectic Sn-Ag-Cu solder alloy/Ni interfaces. Sn-3.0Ag-0.5Cu solder was reflowed on Au/Ni substrates, resulting in the initial formation and growth of (CuNi)6Sn 5 at Sn-3.0Ag-0.5Cu /Ni interfaces. (NiCu)3Sn4 formed between the (CuNi)6Sn5 and the Ni substrate when the concentration of Cu in the liquid SnAgCu solder decreased to a critical value which depended upon temperature: 0.37, 0.31 and 0.3(wt.%) at reflow temperatures of 260°C, 245°C and 230°C respectively. The growth rate of (CuNi)6Sn5 was found to be consistent with extrapolations of a diffusion limited growth model formulated for lower temperature, solid state diffusion couples. The long range diffusion of Cu did not limit growth rates. The spalling of (CuNiAu)6Sn5 from (NiCu)3 Sn4 surfaces during reflow was also examined. When the Cu concentration in the solder decreased to approximately 0.28wt.%, the (Cu,Ni,Au) 6Sn5 was observed to spall. Compressive stress in (CuNiAu) 6Sn5 and weak adhesion between (CuNiAu)6Sn 5 and (NiCu)3Sn4 was found to cause this effect.

Intermetallic compounds in 3D integrated circuits technology: a brief review

NASA Astrophysics Data System (ADS)

Annuar, Syahira; Mahmoodian, Reza; Hamdi, Mohd; Tu, King-Ning

2017-12-01

The high performance and downsizing technology of three-dimensional integrated circuits (3D-ICs) for mobile consumer electronic products have gained much attention in the microelectronics industry. This has been driven by the utilization of chip stacking by through-Si-via and solder microbumps. Pb-free solder microbumps are intended to replace conventional Pb-containing solder joints due to the rising awareness of environmental preservation. The use of low-volume solder microbumps has led to crucial constraints that cause several reliability issues, including excessive intermetallic compounds (IMCs) formation and solder microbump embrittlement due to IMCs growth. This article reviews technologies related to 3D-ICs, IMCs formation mechanisms and reliability issues concerning IMCs with Pb-free solder microbumps. Finally, future outlook on the potential growth of research in this area is discussed.

Intermetallic compounds in 3D integrated circuits technology: a brief review

PubMed Central

Annuar, Syahira; Mahmoodian, Reza; Hamdi, Mohd; Tu, King-Ning

2017-01-01

Abstract The high performance and downsizing technology of three-dimensional integrated circuits (3D-ICs) for mobile consumer electronic products have gained much attention in the microelectronics industry. This has been driven by the utilization of chip stacking by through-Si-via and solder microbumps. Pb-free solder microbumps are intended to replace conventional Pb-containing solder joints due to the rising awareness of environmental preservation. The use of low-volume solder microbumps has led to crucial constraints that cause several reliability issues, including excessive intermetallic compounds (IMCs) formation and solder microbump embrittlement due to IMCs growth. This article reviews technologies related to 3D-ICs, IMCs formation mechanisms and reliability issues concerning IMCs with Pb-free solder microbumps. Finally, future outlook on the potential growth of research in this area is discussed. PMID:29057024

Intermetallic compounds in 3D integrated circuits technology: a brief review.

PubMed

Annuar, Syahira; Mahmoodian, Reza; Hamdi, Mohd; Tu, King-Ning

2017-01-01

The high performance and downsizing technology of three-dimensional integrated circuits (3D-ICs) for mobile consumer electronic products have gained much attention in the microelectronics industry. This has been driven by the utilization of chip stacking by through-Si-via and solder microbumps. Pb-free solder microbumps are intended to replace conventional Pb-containing solder joints due to the rising awareness of environmental preservation. The use of low-volume solder microbumps has led to crucial constraints that cause several reliability issues, including excessive intermetallic compounds (IMCs) formation and solder microbump embrittlement due to IMCs growth. This article reviews technologies related to 3D-ICs, IMCs formation mechanisms and reliability issues concerning IMCs with Pb-free solder microbumps. Finally, future outlook on the potential growth of research in this area is discussed.

Electromigration induced high fraction of compound formation in SnAgCu flip chip solder joints with copper column

NASA Astrophysics Data System (ADS)

Xu, Luhua; Han, Jung-Kyu; Liang, Jarrett Jun; Tu, K. N.; Lai, Yi-Shao

2008-06-01

To overcome the effect of current crowding on electromigration-induced pancake-type void formation in flip chip solder joints, two types of Cu column in 90μm flip chip SnAgCu solder joints have been studied. They were (1) the solder contacts the Cu column at bottom and side walls and (2) the solder wets only the bottom surface of the copper column. With a current density of 1.6×104A/cm2 at 135°C, no failure was detected after 1290h. However, the resistance increased by about 10% due to the formation of a large fraction of intermetallic compounds. We found that electromigration has accelerated the consumption rate of copper column and converted almost the entire solder joint into intermetallic compound. Mechanically, drop impact test indicates a brittle fracture failure in the intermetallic. The electromigration critical product for the intermetallic is discussed.

A Study on the Effect of Ageing and Intermetallic Compound Growth on the Shear Strength of Surface Mount Technology Solder Joints

NASA Astrophysics Data System (ADS)

Nath, Jyotishman; Mallik, Sabuj; Borah, Anil

2015-04-01

The effect of ageing and intermetallic compound formation on the surface mount solder joints and its shear strength behavior under extreme mechanical and thermal conditions have been discussed in this paper. The specimens used are solder paste (Sn3.8Ag0.7Cu), bench marker II printed circuit boards (PCB), resistors 1206 and the fabrication of solder joints makes use of conventional surface mount technology (SMT). Reflow process was carried out at a peak temperature of 250 °C and the test samples were exposed to isothermal ageing at a constant temperature of 150 °C for a period of 600 h. Shear test was conducted on the PCB's. The shear strength of the solder joints rapidly increased during isothermal ageing to a certain time period and then started decreasing. Field emission scanning electron microscopy (FESEM) micrograph of the solder joint and energy dispersive X-ray (EDX) was performed on the solder sample to verify the formation of intermetallic compounds.

X-Ray Diffraction of Intermetallic Compounds: A Physical Chemistry Laboratory Experiment

ERIC Educational Resources Information Center

Varberg, Thomas D.; Skakuj, Kacper

2015-01-01

Here we describe an experiment for the undergraduate physical chemistry laboratory in which students synthesize the intermetallic compounds AlNi and AlNi3 and study them by X-ray diffractometry. The compounds are synthesized in a simple one-step reaction occurring in the solid state. Powder X-ray diffractograms are recorded for the two compounds…

Magnetic susceptibilities of actinide 3d-metal intermetallic compounds

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

Muniz, R.B.; d'Albuquerque e Castro, J.; Troper, A.

1988-04-15

We have numerically calculated the magnetic susceptibilities which appear in the Hartree--Fock instability criterion for actinide 3d transition-metal intermetallic compounds. This calculation is based on a previous tight-binding description of these actinide-based compounds (A. Troper and A. A. Gomes, Phys. Rev. B 34, 6487 (1986)). The parameters of the calculation, which starts from simple tight-binding d and f bands are (i) occupation numbers, (ii) ratio of d-f hybridization to d bandwidth, and (iii) electron-electron Coulomb-type interactions.

A review on the synthesis, crystal growth, structure and physical properties of rare earth based quaternary intermetallic compounds

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

Mumbaraddi, Dundappa; Sarkar, Sumanta; Peter, Sebastian C., E-mail: sebastiancp@jncasr.ac.in

2016-04-15

This review highlights the synthesis and crystal growth of quaternary intermetallic compounds based on rare earth metals. In the first part of this review, we highlight briefly about intermetallics and their versatile properties in comparison to the constituent elements. In the next part, we have discussed about various synthesis techniques with more focus on the metal flux technique towards the well shaped crystal growth of novel compounds. In the subsequent parts, several disordered quaternary compounds have been reviewed and then outlined most known ordered quaternary compounds with their complex structure. A special attention has been given to the ordered compoundsmore » with structural description and relation to the parent binary and ternary compounds. The importance of electronic and structural feature is highlighted as the key roles in designing these materials for emerging applications. - Graphical abstract: Rare earth based quaternary intermetallic compounds crystallize in complex novel crystal structures. The diversity in the crystal structure may induce unique properties and can be considered them as future materials. - Highlights: • Crystal growth and crystal structure of quaternary rare earth based intermetallics. • Structural complexity of quaternary compounds in comparison to the parent compounds. • Novel quaternary compounds display unique crystal structure.« less

AA6082 to DX56-Steel Laser Brazing: Process Parameter-Intermetallic Formation Correlation

NASA Astrophysics Data System (ADS)

Narsimhachary, D.; Pal, S.; Shariff, S. M.; Padmanabham, G.; Basu, A.

2017-09-01

In the present study, laser-brazed AA6082 to DX56-galvanized steel joints were investigated to understand the influence of process parameters on joint strength in terms of intermetallic layer formation. 1.5-mm-thick sheet of aluminum alloy (AA6082-T6) and galvanized steel (DX56) sheet of 0.7 mm thickness were laser-brazed with 1.5-mm-diameter Al-12% Si solid filler wire. During laser brazing, laser power (4.6 kW) and wire feed rate (3.4 m/min) were kept constant with a varying laser scan speed of 3.5, 3, 2.5, 2, 1.5, and 1 m/min. Microstructure of brazed joint reveals epitaxial growth at the aluminum side and intermetallic layer formation at steel interface. Intermetallic layer formation was confirmed by EDS analysis and XRD study. Hardness profile showed hardness drop in filler region, and failure during tensile testing was initiated through the filler region near the steel interface. As per both experimental study and numerical analysis, it was observed that intermetallic layer thickness decreases with increasing brazing speed. Zn vaporization from galvanized steel interface also affected the joint strength. It was found that high laser scan speed or faster cooling rate can be chosen for suppressing intermetallic layer formation or at least decreasing the layer thickness which results in improved mechanical properties.

The effect of steel chemistry on the formation of Fe-Zn intermetallic compounds of galvanneal-coated steel sheets

NASA Astrophysics Data System (ADS)

Lin, C. S.; Meshii, M.

1994-10-01

The effects of steel chemistry on the formation of Fe-Zn intermetallic compounds in the galvanneal coatings have been investigated by examining the microstructure of galvanneal coat-ings on extra-low-carbon (ELC) steel, interstitial-free (IF) steel, and interstitial-free rephos-phorized (IFP) steel. The layer structure of the coatings was revealed by chemical etching. Phases present in each layer were then identified using electron diffraction in transmission elec-tron microscopy (TEM). A two-layer structure, one consisting of the δ phase with a small fraction of the ζ, phase dispersed on the surface and Γ phases and another consisting of the δ and Γ1 phases, was observed in the ELC sample and the IFP sample, respectively. A three-layer structure consisting of the δ, Γ1 + δ, and Γ phases was observed in the IF sample. The presence of C in the steel substrate retarded the alloying between Fe and Zn; while P in the steel favored the formation of the Γ1, phase over the Γ phase by its surface segregation in the steel substrate. The orientation relationship between coating and substrate was also studied by electron diffraction. Three α-Fe/Γ orientation relationships were frequently observed.

Brittle intermetallic compound makes ultrastrong low-density steel with large ductility.

PubMed

Kim, Sang-Heon; Kim, Hansoo; Kim, Nack J

2015-02-05

Although steel has been the workhorse of the automotive industry since the 1920s, the share by weight of steel and iron in an average light vehicle is now gradually decreasing, from 68.1 per cent in 1995 to 60.1 per cent in 2011 (refs 1, 2). This has been driven by the low strength-to-weight ratio (specific strength) of iron and steel, and the desire to improve such mechanical properties with other materials. Recently, high-aluminium low-density steels have been actively studied as a means of increasing the specific strength of an alloy by reducing its density. But with increasing aluminium content a problem is encountered: brittle intermetallic compounds can form in the resulting alloys, leading to poor ductility. Here we show that an FeAl-type brittle but hard intermetallic compound (B2) can be effectively used as a strengthening second phase in high-aluminium low-density steel, while alleviating its harmful effect on ductility by controlling its morphology and dispersion. The specific tensile strength and ductility of the developed steel improve on those of the lightest and strongest metallic materials known, titanium alloys. We found that alloying of nickel catalyses the precipitation of nanometre-sized B2 particles in the face-centred cubic matrix of high-aluminium low-density steel during heat treatment of cold-rolled sheet steel. Our results demonstrate how intermetallic compounds can be harnessed in the alloy design of lightweight steels for structural applications and others.

Discovery of Intermetallic Compounds from Traditional to Machine-Learning Approaches.

PubMed

Oliynyk, Anton O; Mar, Arthur

2018-01-16

Intermetallic compounds are bestowed by diverse compositions, complex structures, and useful properties for many materials applications. How metallic elements react to form these compounds and what structures they adopt remain challenging questions that defy predictability. Traditional approaches offer some rational strategies to prepare specific classes of intermetallics, such as targeting members within a modular homologous series, manipulating building blocks to assemble new structures, and filling interstitial sites to create stuffed variants. Because these strategies rely on precedent, they cannot foresee surprising results, by definition. Exploratory synthesis, whether through systematic phase diagram investigations or serendipity, is still essential for expanding our knowledge base. Eventually, the relationships may become too complex for the pattern recognition skills to be reliably or practically performed by humans. Complementing these traditional approaches, new machine-learning approaches may be a viable alternative for materials discovery, not only among intermetallics but also more generally to other chemical compounds. In this Account, we survey our own efforts to discover new intermetallic compounds, encompassing gallides, germanides, phosphides, arsenides, and others. We apply various machine-learning methods (such as support vector machine and random forest algorithms) to confront two significant questions in solid state chemistry. First, what crystal structures are adopted by a compound given an arbitrary composition? Initial efforts have focused on binary equiatomic phases AB, ternary equiatomic phases ABC, and full Heusler phases AB 2 C. Our analysis emphasizes the use of real experimental data and places special value on confirming predictions through experiment. Chemical descriptors are carefully chosen through a rigorous procedure called cluster resolution feature selection. Predictions for crystal structures are quantified by evaluating

Discovery of a Superconducting Cu-Bi Intermetallic Compound by High-Pressure Synthesis

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

Clarke, Samantha M.; Walsh, James P. S.; Amsler, Maximilian

A new intermetallic compound, the first to be structurally identified in the Cu-Bi binary system, is reported. This compound is accessed by high-pressure reaction of the elements. Its detailed characterization, physical property measurements, and ab initio calculations are described. The commensurate crystal structure of Cu 11Bi 7 is a unique variation of the NiAs structure type. Temperature-dependent electrical resistivity and heat capacity measurements reveal a bulk superconducting transition at T c=1.36 K. Density functional theory calculations further demonstrate that Cu 11Bi 7 can be stabilized (relative to decomposition into the elements) at high pressure and temperature. These results highlight themore » ability of high-pressure syntheses to allow for inroads into heretofore-undiscovered intermetallic systems for which no thermodynamically stable binaries are known.« less

Electronic Structure of GdCuGe Intermetallic Compound

NASA Astrophysics Data System (ADS)

Lukoyanov, A. V.; Knyazev, Yu. V.; Kuz'min, Yu. I.

2018-04-01

The electronic structure of GdCuGe intermetallic compound has been studied. Spin-polarized energy spectrum calculations have been performed by the band method with allowance for strong electron correlations in the 4 f-shell of gadolinium ions. Antiferromagnetic ordering of GdCuGe at low temperatures has been obtained in a theoretical calculation, with the value of the effective magnetic moment of gadolinium ions reproduced in fair agreement with experimental data. The electronic density of states has been analyzed. An optical conductivity spectrum has been calculated for GdCuGe; it reveals specific features that are analogous to the ones discovered previously in the GdCuSi compound with a similar hexagonal structure.

Ag–Pt compositional intermetallics made from alloy nanoparticles

DOE PAGES

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

2016-09-07

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

Ag–Pt compositional intermetallics made from alloy nanoparticles

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

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

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

The corrosion behavior of the T1 (Al2CuLi) intermetallic compound in aqueous environments

NASA Technical Reports Server (NTRS)

Buchheit, R. G.; Stoner, G. E.

1989-01-01

The intermetallic compound T1 (Al2CuLi) is suspected to play an important role in the localized corrosion at subgrain boundaries in Al-Li-Cu alloys. The intermetallic was synthesized for characterization of its corrosion behavior. Experiments performed included open circuit potential measurements, potentiodynamic polarization, and corrosion rate vs. pH in solutions whose pH was varied over the range of 3 to 11. Subgrain boundary pitting and continuous subgrain boundary corrosion are discussed in terms of the data obtained. Evidence suggesting the dealloying of copper from this compound is also presented.

Intermetallic Compounds Formed in Sn-20In-2.8Ag Solder BGA Packages with Ag/Cu Pads

NASA Astrophysics Data System (ADS)

Jain, C. C.; Wang, S. S.; Huang, K. W.; Chuang, T. H.

2009-03-01

The interfacial reactions in a Sn-20In-2.8Ag solder ball grid array (BGA) package with immersion Ag surface finish are investigated. After reflow, the Ag thin film dissolves quickly into the solder matrix, and scallop-shaped intermetallic layers, with compositions of (Cu0.98Ag0.02)6(In0.59Sn0.41)5, appear at the interfaces between Sn-20In-2.8Ag solder ball and Cu pad. No evident growth of the (Cu0.98Ag0.02)6(Sn0.59In0.41)5 intermetallic compounds was observed after prolonged aging at 100 °C. However, the growth accelerated at 150 °C, with more intermetallic scallops floating into the solder matrix. The intermetallic thickness versus the square root of reaction time ( t 1/2) shows a linear relation, indicating that the growth of intermetallic compounds is diffusion-controlled. Ball shear tests show that the strength of Sn-20In-2.8Ag solder joints after reflow is 4.4 N, which increases to 5.18 N and 5.14 N after aging at 100 and 150 °C, respectively.

Influence of nanoparticle addition on the formation and growth of intermetallic compounds (IMCs) in Cu/Sn–Ag–Cu/Cu solder joint during different thermal conditions

PubMed Central

Ting Tan, Ai; Wen Tan, Ai; Yusof, Farazila

2015-01-01

Nanocomposite lead-free solders are gaining prominence as replacements for conventional lead-free solders such as Sn–Ag–Cu solder in the electronic packaging industry. They are fabricated by adding nanoparticles such as metallic and ceramic particles into conventional lead-free solder. It is reported that the addition of such nanoparticles could strengthen the solder matrix, refine the intermetallic compounds (IMCs) formed and suppress the growth of IMCs when the joint is subjected to different thermal conditions such as thermal aging and thermal cycling. In this paper, we first review the fundamental studies on the formation and growth of IMCs in lead-free solder joints. Subsequently, we discuss the effect of the addition of nanoparticles on IMC formation and their growth under several thermal conditions. Finally, an outlook on the future growth of research in the fabrication of nanocomposite solder is provided. PMID:27877786

Clusters, Assemble: Growth of Intermetallic Compounds from Metal Flux Reactions.

PubMed

Latturner, Susan E

2018-01-16

Metal flux synthesis involves the reaction of metals and metalloids in a large excess of a low-melting metal that acts as a solvent. This technique makes use of an unusual temperature regime (above the temperatures used for solvothermal methods and below the temperatures used in traditional solid state synthesis) and facilitates the growth of products as large crystals. It has proven to be a fruitful method to discover new intermetallic compounds. However, little is known about the chemistry occurring within a molten metal solvent; without an understanding of the nature of precursor formation and assembly, it is difficult to predict product structures and target properties. Organic chemists have a vast toolbox of well-known reagents and reaction mechanisms to use in directing their synthesis toward a desired molecular structure. This is not yet the case for the synthesis of inorganic extended structures. We have carried out extensive explorations of the growth of new magnetic intermetallic compounds from a variety of metal fluxes. This Account presents a review of some of our results and recent reports by other groups; this work indicates that products with common building blocks and homologous series with identical structural motifs are repeatedly seen in metal flux chemistry. For instance, fluorite-type layers comprised of transition metals coordinated by eight main group metal atoms are found in the Th 2 (Au x Si 1-x )[AuAl 2 ] n Si 2 and R[AuAl 2 ] n Al 2 (Au x Si 1-x ) 2 series grown from aluminum flux, the Ce n PdIn 3n+2 series grown from indium flux, and CePdGa 6 and Ce 2 PdGa 10 grown from gallium flux. Similarly, our investigations of reactions of heavy main group metals, M, in rare earth/transition metal eutectic fluxes reveal that the R/T/M/M' products usually feature M-centered rare earth clusters M@R 8-12 , which share faces to form layers and networks that surround transition metal building blocks. These structural trends, temperature dependence of

Epitaxial growth of Al9Ir2 intermetallic compound on Al(100): Mechanism and interface structure

NASA Astrophysics Data System (ADS)

Kadok, J.; Pussi, K.; Šturm, S.; Ambrožič, B.; Gaudry, É.; de Weerd, M.-C.; Fournée, V.; Ledieu, J.

2018-04-01

The adsorption of Ir adatoms on Al(100) has been investigated under various exposures and temperature conditions. The experimental and theoretical results reveal a diffusion of Ir adatoms within the Al(100) surface selvedge already at 300 K. Above 593 K, two domains of a (√{5 }×√{5 }) R 26 .6∘ phase are identified by low energy electron diffraction (LEED) and scanning tunneling microscopy measurements. This phase corresponds to the initial growth of an Al9Ir2 compound at the Al(100) surface. The Al9Ir2 intermetallic domains are terminated by bulklike pure Al layers. The structural stability of Al9Ir2 (001) grown on Al(100) has been analyzed by density functional theory based calculations. Dynamical LEED analysis is consistent with an Ir adsorption leading to the growth of an Al9Ir2 intermetallic compound. We propose that the epitaxial relationship Al9Ir2(001 ) ∥Al (100) and Al9Ir2[100 ] ∥Al [031 ]/[013 ] originates from a matching of Al atomic arrangements present both on Al(100) and on pure Al(001) layers present in the Al9Ir2 compound. Finally, the interface between Al9Ir2 precipitates and the Al matrix has been characterized by transmission electron microscopy measurements. The cross-sectional observations are consistent with the formation of Al9Ir2 (001) compounds. These measurements indicate an important Ir diffusion within Al(100) near the surface region. The coherent interface between Al9Ir2 and the Al matrix is sharp.

Ultra-high vacuum compatible preparation chain for intermetallic compounds

NASA Astrophysics Data System (ADS)

Bauer, A.; Benka, G.; Regnat, A.; Franz, C.; Pfleiderer, C.

2016-11-01

We report the development of a versatile material preparation chain for intermetallic compounds, which focuses on the realization of a high-purity growth environment. The preparation chain comprises an argon glovebox, an inductively heated horizontal cold boat furnace, an arc melting furnace, an inductively heated rod casting furnace, an optically heated floating-zone furnace, a resistively heated annealing furnace, and an inductively heated annealing furnace. The cold boat furnace and the arc melting furnace may be loaded from the glovebox by means of a load-lock permitting to synthesize compounds starting with air-sensitive elements while handling the constituents exclusively in an inert gas atmosphere. All furnaces are all-metal sealed, bakeable, and may be pumped to ultra-high vacuum. We find that the latter represents an important prerequisite for handling compounds with high vapor pressure under high-purity argon atmosphere. We illustrate the operational aspects of the preparation chain in terms of the single-crystal growth of the heavy-fermion compound CeNi2Ge2.

Intermetallic nanoparticles

DOEpatents

Singh, Dileep; Yusufoglu, Yusuf; Timofeeva, Elena; Routbort, Jules

2015-07-14

A process for preparing intermetallic nanoparticles of two or more metals is provided. In particular, the process includes the steps: a) dispersing nanoparticles of a first metal in a solvent to prepare a first metal solution, b) forming a reaction mixture with the first metal solution and a reducing agent, c) heating the reaction mixture to a reaction temperature; and d) adding a second metal solution containing a salt of a second metal to the reaction mixture. During this process, intermetallic nanoparticles, which contain a compound with the first and second metals are formed. The intermetallic nanoparticles with uniform size and a narrow size distribution is also provided. An electrochemical device such as a battery with the intermetallic nanoparticles is also provided.

Intermetallic nanoparticles

DOEpatents

Singh, Dileep; Yusufoglu, Yusuf; Timofeeva, Elena; Routbort, Jules L.

2015-11-20

A process for preparing intermetallic nanoparticles of two or more metals is provided. In particular, the process includes the steps: a) dispersing nanoparticles of a first metal in a solvent to prepare a first metal solution, b) forming a reaction mixture with the first metal solution and a reducing agent, c) heating the reaction mixture to a reaction temperature; and d) adding a second metal solution containing a salt of a second metal to the reaction mixture. During this process, intermetallic nanoparticles, which contain a compound with the first and second metals are formed. The intermetallic nanoparticles with uniform size and a narrow size distribution is also provided. An electrochemical device such as a battery with the intermetallic nanoparticles is also provided.

Intermetallic nanoparticles

DOEpatents

Singh, Dileep; Yusufoglu, Yusuf; Timofeeva, Elena; Routbort, Jules L.

2017-01-03

A process for preparing intermetallic nanoparticles of two or more metals is provided. In particular, the process includes the steps: a) dispersing nanoparticles of a first metal in a solvent to prepare a first metal solution, b) forming a reaction mixture with the first metal solution and a reducing agent, c) heating the reaction mixture to a reaction temperature; and d) adding a second metal solution containing a salt of a second metal to the reaction mixture. During this process, intermetallic nanoparticles, which contain a compound with the first and second metals are formed. The intermetallic nanoparticles with uniform size and a narrow size distribution is also provided. An electrochemical device such as a battery with the intermetallic nanoparticles is also provided.

Massive spalling of intermetallic compounds in solder-substrate reactions due to limited supply of the active element

NASA Astrophysics Data System (ADS)

Yang, S. C.; Ho, C. E.; Chang, C. W.; Kao, C. R.

2007-04-01

Massive spalling of intermetallic compounds has been reported in the literature for several solder/substrate systems, including SnAgCu soldered on Ni substrate, SnZn on Cu, high-Pb PbSn on Cu, and high-Pb PbSn on Ni. In this work, a unified thermodynamic argument is proposed to explain this rather unusual phenomenon. According to this argument, two necessary conditions must be met. The number one condition is that at least one of the reactive constituents of the solder must be present in a limited amount, and the second condition is that the soldering reaction has to be very sensitive to its concentration. With the growth of intermetallic, more and more atoms of this constituent are extracted out of the solder and incorporated into the intermetallic. As the concentration of this constituent decreases, the original intermetallic at the interface becomes a nonequilibrium phase, and the spalling of the original intermetallic occurs.

Massive spalling of intermetallic compounds in solder-substrate reactions due to limited supply of the active element

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

Yang, S. C.; Ho, C. E.; Chang, C. W.

2007-04-15

Massive spalling of intermetallic compounds has been reported in the literature for several solder/substrate systems, including SnAgCu soldered on Ni substrate, SnZn on Cu, high-Pb PbSn on Cu, and high-Pb PbSn on Ni. In this work, a unified thermodynamic argument is proposed to explain this rather unusual phenomenon. According to this argument, two necessary conditions must be met. The number one condition is that at least one of the reactive constituents of the solder must be present in a limited amount, and the second condition is that the soldering reaction has to be very sensitive to its concentration. With themore » growth of intermetallic, more and more atoms of this constituent are extracted out of the solder and incorporated into the intermetallic. As the concentration of this constituent decreases, the original intermetallic at the interface becomes a nonequilibrium phase, and the spalling of the original intermetallic occurs.« less

Unexpected Ground-State Structure and Mechanical Properties of Ir₂Zr Intermetallic Compound.

PubMed

Zhang, Meiguang; Cao, Rui; Zhao, Meijie; Du, Juan; Cheng, Ke

2018-01-10

Using an unbiased structure searching method, a new orthorhombic Cmmm structure consisting of ZrIr 12 polyhedron building blocks is predicted to be the thermodynamic ground-state of stoichiometric intermetallic Ir₂Zr in Ir-Zr systems. The formation enthalpy of the Cmmm structure is considerably lower than that of the previously synthesized Cu₂Mg-type phase, by ~107 meV/atom, as demonstrated by the calculation of formation enthalpy. Meanwhile, the phonon dispersion calculations further confirmed the dynamical stability of Cmmm phase under ambient conditions. The mechanical properties, including elastic stability, rigidity, and incompressibility, as well as the elastic anisotropy of Cmmm -Ir₂Zr intermetallic, have thus been fully determined. It is found that the predicted Cmmm phase exhibits nearly elastic isotropic and great resistance to shear deformations within the (100) crystal plane. Evidence of atomic bonding related to the structural stability for Ir₂Zr were manifested by calculations of the electronic structures.

Increasing strength and conductivity of Cu alloy through abnormal plastic deformation of an intermetallic compound

PubMed Central

Han, Seung Zeon; Lim, Sung Hwan; Kim, Sangshik; Lee, Jehyun; Goto, Masahiro; Kim, Hyung Giun; Han, Byungchan; Kim, Kwang Ho

2016-01-01

The precipitation strengthening of Cu alloys inevitably accompanies lowering of their electric conductivity and ductility. We produced bulk Cu alloys arrayed with nanofibers of stiff intermetallic compound through a precipitation mechanism using conventional casting and heat treatment processes. We then successfully elongated these arrays of nanofibers in the bulk Cu alloys to 400% of original length without breakage at room temperature using conventional rolling process. By inducing such an one-directional array of nanofibers of intermetallic compound from the uniform distribution of fine precipitates in the bulk Cu alloys, the trade-off between strength and conductivity and between strength and ductility could be significantly reduced. We observed a simultaneous increase in electrical conductivity by 1.3 times and also tensile strength by 1.3 times in this Cu alloy bulk compared to the conventional Cu alloys. PMID:27488621

Intermetallic M--Sn.sub.5 (M=Fe, Cu, Co, Ni) compound and a method of synthesis thereof

DOEpatents

Wang, Xiao-Liang; Han, Weiqiang

2017-09-05

Novel intermetallic materials are provided that are composed of tin and one or more additional metal(s) having a formula M.sub.(1-x)-Sn.sub.5, where -0.1.ltoreq.x.ltoreq.0.5, with 0.01.ltoreq.x.ltoreq.0.4 being more preferred and the second metallic element (M) is selected from iron (Fe), copper (Cu), cobalt (Co), nickel (Ni), and a combination of two or more of those metals. Due to low concentration of the second metallic element, the intermetallic compound affords an enhanced capacity applicable for electrochemical cells and may serve as an intermediate phase between Sn and MSn.sub.2. A method of synthesizing these intermetallic materials is also disclosed.

Exploring phase stability, electronic and mechanical properties of Ce–Pb intermetallic compounds using first-principles calculations

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

Tao, Xiaoma; Computational Alloy Design Group, IMDEA Materials Institute, Getafe, Madrid 28906; Wang, Ziru

2016-05-15

The phase stability, electronic and mechanical properties of Ce–Pb intermetallics have been investigated by using first-principles calculations. Five stable and four metastable phases of Ce–Pb intermetallics were verified. Among them, CePb{sub 2} has been confirmed as HfGa{sub 2}-type structure. For Ce{sub 5}Pb{sub 3}, the high pressure phase transformation from D8{sub m} to D8{sub 8} with trivalent Ce has been predicted to occur at P=1.2 GPa and a high temperature phase transformation has been predicted from D8{sub m} to D8{sub 8} with tetravalent Ce at 531.5 K. The calculated lattice constants of the five stable phases are in good agreement withmore » experimental values. The electronic density of states, charge density and electron localization function of Ce{sub 3}Pb have been calculated, which indicated that the Ce and Pb show ionic behavior. The polycrystalline bulk modulus, shear modulus, Young's modulus, and Poisson's ratio are also estimated from the calculated single crystalline elastic constants. All of the calculated elastic constants satisfy mechanical stability criteria. The microhardness and mechanical anisotropy are predicted. The anisotropic nature of the Ce–Pb intermetallic compounds are demonstrated by the three-dimensional orientation dependent surfaces of Young's moduli and linear compressibility are also demonstrated. The longitudinal, transverse and average sound velocities and the Debye temperatures are also obtained in this work. The Ce{sub 3}Pb has the largest Debye temperature of 192.6 K, which means the Ce{sub 3}Pb has a highest melting point and high thermal conductivity than other compounds. - Graphical abstract: The convex hull plots of the enthalpies of formation for Ce–Pb binary systems calculated at 0 K. - Highlights: • The five stable and four metastable phases in the Ce–Pb binary system were predicted. • The crystal structure of CePb{sub 2} has been confirmed as HfGa{sub 2}-type.« less

TEM study of the martensitic phases in the ductile DyCu and YCu intermetallic compounds [The martensitic phase transformation in ductile DyCu and YCu intermetallic compounds

DOE PAGES

Cao, G. H.; Oertel, C. -G.; Schaarschuch, R.; ...

2017-05-03

DyCu and YCu are representatives of the family of CsCl-type B2 rare earth intermetallic compounds that exhibit high room temperature ductility. Structure, orientation relationship, and morphology of the martensites in the equiatomic compounds DyCu and YCu are examined using transmission electron microscopy (TEM). TEM studies show that the martensite structures in DyCu and YCu alloys are virtually identical. The martensite is of orthorhombic CrB-type B33 structure with lattice parameters a = 0.38 nm, b = 1.22 nm, and c = 0.40 nm. (021¯) twins were observed in the B33 DyCu and YCu martensites. The orientation relationship of B33 and B2more » phases is (111¯)[112]B33 || (110)[001]B2. The simulated electron diffraction patterns of the B33 phase are consistent with those of experimental observations. TEM investigations also reveal that a dominant orthorhombic FeB-type B27 martensite with lattice parameters a = 0.71 nm, b = 0.45 nm, and c = 0.54 nm exists in YCu alloy. (11¯ 1) twins were observed in the B27 YCu martensite. As a result, the formation mechanism of B2 to B33 and B2 to B27 phase transformation is discussed.« less

Structure Defect Property Relationships in Binary Intermetallics

NASA Astrophysics Data System (ADS)

Medasani, Bharat; Ding, Hong; Chen, Wei; Persson, Kristin; Canning, Andrew; Haranczyk, Maciej; Asta, Mark

2015-03-01

Ordered intermetallics are light weight materials with technologically useful high temperature properties such as creep resistance. Knowledge of constitutional and thermal defects is required to understand these properties. Vacancies and antisites are the dominant defects in the intermetallics and their concentrations and formation enthalpies could be computed by using first principles density functional theory and thermodynamic formalisms such as dilute solution method. Previously many properties of the intermetallics such as melting temperatures and formation enthalpies were statistically analyzed for large number of intermetallics using structure maps and data mining approaches. We undertook a similar exercise to establish the dependence of the defect properties in binary intermetallics on the underlying structural and chemical composition. For more than 200 binary intermetallics comprising of AB, AB2 and AB3 structures, we computed the concentrations and formation enthalpies of vacancies and antisites in a small range of stoichiometries deviating from ideal stoichiometry. The calculated defect properties were datamined to gain predictive capabilities of defect properties as well as to classify the intermetallics for their suitability in high-T applications. Supported by the US DOE under Contract No. DEAC02-05CH11231 under the Materials Project Center grant (Award No. EDCBEE).

Correlation between valence electronic structure and magnetic properties in RCo5 (R = rare earth) intermetallic compound

NASA Astrophysics Data System (ADS)

Zhi-Qin, Xue; Yong-Quan, Guo

2016-06-01

The magnetisms of RCo5 (R = rare earth) intermetallics are systematically studied with the empirical electron theory of solids and molecules (EET). The theoretical moments and Curie temperatures agree well with experimental ones. The calculated results show strong correlations between the valence electronic structure and the magnetic properties in RCo5 intermetallic compounds. The moments of RCo5 intermetallics originate mainly from the 3d electrons of Co atoms and 4f electrons of rare earth, and the s electrons also affect the magnetic moments by the hybridization of d and s electrons. It is found that moment of Co atom at 2c site is higher than that at 3g site due to the fact that the bonding effect between R and Co is associated with an electron transformation from 3d electrons into covalence electrons. In the heavy rare-earth-based RCo5 intermetallics, the contribution to magnetic moment originates from the 3d and 4f electrons. The covalence electrons and lattice electrons also affect the Curie temperature, which is proportional to the average moment along the various bonds. Project supported by the National Natural Science Foundation of China (Grant No. 11274110).

Formation of Multi-Layer Structures in Bi3Pb7 Intermetallic Compounds under an Ultra-High Gravitational Field

NASA Astrophysics Data System (ADS)

Mashimo, T.; Iguchi, Y.; Bagum, R.; Sano, T.; Sakata, O.; Ono, M.; Okayasu, S.

2008-02-01

Ultra-high gravitational field (Mega-gravity field) can promote sedimentation of atoms (diffusion) even in solids, and is expected to form a compositionally-graded structure and/or nonequilibrium phase in multi-component condensed matter. We had achieved sedimentation of substitutional solute atoms in miscible systems (Bi-Sb, In-Pb, etc.). In this study, a mega-gravity experiment at high temperature was performed on a thin-plate sample (0.7 mm in thickness) of the intermetallic compound Bi3Pb7. A visible four-layer structure was produced, which exhibited different microscopic structures. In the lowest-gravity region layer, Bi phase appeared. In the mid layers, a compositionally-graded structure was formed, with differences observed in the powder X-ray diffraction patterns. Such a multi-layer structure is expected to exhibit unique physical properties such as superconductivity.

Cu-Sn Intermetallic Compound Joints for High-Temperature Power Electronics Applications

NASA Astrophysics Data System (ADS)

Lee, Byung-Suk; Yoon, Jeong-Won

2018-01-01

Cu-Sn solid-liquid interdiffusion (SLID) bonded joints were fabricated using a Sn-Cu solder paste and Cu for high-temperature power electronics applications. The interfacial reaction behaviors and the mechanical properties of Cu6Sn5 and Cu3Sn SLID-bonded joints were compared. The intermetallic compounds formed at the interfaces in the Cu-Sn SLID-bonded joints significantly affected the die shear strength of the joint. In terms of thermal and mechanical properties, the Cu3Sn SLID-bonded joint was superior to the conventional solder and the Cu6Sn5 SLID-bonded joints.

Femtosecond laser ablation and nanoparticle formation in intermetallic NiAl

NASA Astrophysics Data System (ADS)

Jorgensen, David J.; Titus, Michael S.; Pollock, Tresa M.

2015-10-01

The ablation behavior of a stoichiometric intermetallic compound β-NiAl subjected to femtosecond laser pulsing in air has been investigated. The single-pulse ablation threshold for NiAl was determined to be 83 ± 4 mJ/cm2 and the transition to the high-fluence ablation regime occurred at 2.8 ± 0.3 J/cm2. Two sizes of nanoparticles consisting of Al, NiAl, Ni3Al and NiO were formed and ejected from the target during high-fluence ablation. Chemical analysis revealed that smaller nanoparticles (1-30 nm) tended to be rich in Al while larger nanoparticles (>100 nm) were lean in Al. Ablation in the low-fluence regime maintained this trend. Redeposited material and nanoparticles remaining on the surface after a single 3.7 J/cm2 pulse, one hundred 1.7 J/cm2 pulses, or one thousand 250 mJ/cm2 pulses were enriched in Al relative to the bulk target composition. Further, the surface of the irradiated high-fluence region was depleted in Al indicating that the fs laser ablation removal rate of the intermetallic constituents in this regime does not scale with the individual pure element ablation thresholds.

Estimation of the composition of intermetallic compounds in LiCl-KCl molten salt by cyclic voltammetry.

PubMed

Liu, Ya L; Liu, Kui; Yuan, Li Y; Chai, Zhi F; Shi, Wei Q

2016-08-15

In this work, the compositions of Ce-Al, Er-Al and La-Bi intermetallic compounds were estimated by the cyclic voltammetry (CV) technique. At first, CV measurements were carried out at different reverse potentials to study the co-reduction processes of Ce-Al, Er-Al and La-Bi systems. The CV curves obtained were then re-plotted with the current as a function of time, and the coulomb number of each peak was calculated. By comparing the coulomb number of the related peaks, the compositions of the Ce-Al, Er-Al and La-Bi intermetallic compounds formed in the co-reduction process could be estimated. The results showed that Al11Ce3, Al3Ce, Al2Ce and AlCe could be formed by the co-reduction of Ce(iii) and Al(iii). For the co-reduction of Er(iii) and Al(iii), Al3Er2, Al2Er and AlEr were formed. In a La(iii) and Bi(iii) co-existing system in LiCl-KCl melts, LaBi2, LaBi and Li3Bi were the major products as a result of co-reduction.

Ab-initio study of B{sub 2}-type technetium AB (A=Tc, B=Nb and Ta) intermetallic compounds

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

Acharya, Nikita, E-mail: acharyaniks30@gmail.com; Fatima, Bushra; Sanyal, Sankar P.

2016-05-06

The structural, electronic and elastic properties of AB type (A = Tc, B = Nb and Ta) technetium intermetallic compounds are studied using full potential linearized plane wave (FP-LAPW) method within generalized gradient approximation (GGA). The calculated lattice parameters agree well with the experimental results. The elastic constants obey the stability criteria for cubic system. Ductility for these compounds has been analyzed using the Pugh’s rule and Cauchy’s pressure and found that all the compounds are ductile in nature. Bonding nature is discussed in terms of Fermi surface and band structures.

Multi-component intermetallic electrodes for lithium batteries

DOEpatents

Thackeray, Michael M; Trahey, Lynn; Vaughey, John T

2015-03-10

Multi-component intermetallic negative electrodes prepared by electrochemical deposition for non-aqueous lithium cells and batteries are disclosed. More specifically, the invention relates to composite intermetallic electrodes comprising two or more compounds containing metallic or metaloid elements, at least one element of which can react with lithium to form binary, ternary, quaternary or higher order compounds, these compounds being in combination with one or more other metals that are essentially inactive toward lithium and act predominantly, but not necessarily exclusively, to the electronic conductivity of, and as current collection agent for, the electrode. The invention relates more specifically to negative electrode materials that provide an operating potential between 0.05 and 2.0 V vs. metallic lithium.

Ab-initio thermodynamic and elastic properties of AlNi and AlNi3 intermetallic compounds

NASA Astrophysics Data System (ADS)

Yalameha, Shahram; Vaez, Aminollah

2018-04-01

In this paper, thermodynamic and elastic properties of the AlNi and AlNi3 were investigated using density functional theory (DFT). The full-potential linearized augmented plane-wave (APW) in the framework of the generalized gradient approximation as used as implemented in the Wien2k package. The temperature dependence of thermal expansion coefficient, bulk modulus and heat capacity in a wide range of temperature (0-1600 K) were investigated. The calculated elastic properties of the compounds show that both intermetallic compounds of AlNi and AlNi3 have surprisingly negative Poisson’s ratio (NPR). The results were compared with other experimental and computational data.

Influence of the Heterogeneous Nucleation Sites on the Kinetics of Intermetallic Phase Formation in Aged Duplex Stainless Steel

NASA Astrophysics Data System (ADS)

Melo, Elis Almeida; Magnabosco, Rodrigo

2017-11-01

The aim of this work is to study the influence of the heterogeneous nucleation site quantity, observed in different ferrite and austenite grain size samples, on the phase transformations that result in intermetallic phases in a UNS S31803 duplex stainless steel (DSS). Solution treatment was conducted for 1, 24, 96, or 192 hours at 1373 K (1100 °C) to obtain different ferrite and austenite grain sizes. After solution treatment, isothermal aging treatments for 5, 8, 10, 20, 30, or 60 minutes at 1123 K (850 °C) were performed to verify the influence of different amounts of heterogeneous nucleation sites in the kinetics of intermetallic phase formation. The sample solution treated for 1 hour, with the highest surface area between matrix phases, was the one that presented, after 60 minutes at 1123 K (850 °C), the smaller volume fraction of ferrite (indicative of greater intermetallic phase formation), higher volume of sigma (that was present in coral-like and compact morphologies), and chi phase. It was not possible to identify which was the first nucleated phase, sigma or chi. It was also observed that the phase formation kinetics is higher for the sample solution treated for 1 hour. It was evidenced that, from a certain moment on, the chi phase begins to be consumed due to the sigma phase formation, and the austenite/ferrite interface presents higher S V for all solution treatment times. It was also observed that intermetallic phases form preferably in austenite-ferrite interfaces, although the higher occupation rate occurs at triple junction ferrite-ferrite-ferrite. It was verified that there was no saturation of nucleation sites in any interface type nor triple junction, and the equilibrium after 1 hour of aging at 1123 K (850 °C) was not achieved. It was then concluded that sigma phase formation is possibly controlled by diffusional processes, without saturation of nucleation sites.

Effect of Mn and Fe on the Formation of Fe- and Mn-Rich Intermetallics in Al–5Mg–Mn Alloys Solidified Under Near-Rapid Cooling

PubMed Central

Liu, Yulin; Huang, Gaoren; Sun, Yimeng; Zhang, Li; Huang, Zhenwei; Wang, Jijie; Liu, Chunzhong

2016-01-01

Mn was an important alloying element used in Al–Mg–Mn alloys. However, it had to be limited to a low level (<1.0 wt %) to avoid the formation of coarse intermetallics. In order to take full advantage of the benefits of Mn, research was carried out to investigate the possibility of increasing the content of Mn by studying the effect of cooling rate on the formation of Fe- and Mn-rich intermetallics at different content levels of Mn and Fe. The results indicated that in Al–5Mg–Mn alloy with low Fe content (<0.1 wt %), intermetallic Al6(Fe,Mn) was small in size and amount. With increasing Mn content, intermetallic Al6(Fe,Mn) increased, but in limited amount. In high-Fe-containing Al–5Mg–Mn alloys (0.5 wt % Fe), intermetallic Al6(Fe,Mn) became the dominant phase, even in the alloy with low Mn content (0.39 wt %). Cooling rate played a critical role in the refinement of the intermetallics. Under near-rapid cooling, intermetallic Al6(Fe,Mn) was extremely refined. Even in the high Mn and/or high-Fe-containing alloys, it still demonstrated fine Chinese script structures. However, once the alloy composition passed beyond the eutectic point, the primary intermetallic Al6(Fe,Mn) phase displayed extremely coarse platelet-like morphology. Increasing the content of Fe caused intermetallic Al6(Fe,Mn) to become the primary phase at a lower Mn content. PMID:28787888

Effect of Mn and Fe on the Formation of Fe- and Mn-Rich Intermetallics in Al-5Mg-Mn Alloys Solidified Under Near-Rapid Cooling.

PubMed

Liu, Yulin; Huang, Gaoren; Sun, Yimeng; Zhang, Li; Huang, Zhenwei; Wang, Jijie; Liu, Chunzhong

2016-01-29

Mn was an important alloying element used in Al-Mg-Mn alloys. However, it had to be limited to a low level (<1.0 wt %) to avoid the formation of coarse intermetallics. In order to take full advantage of the benefits of Mn, research was carried out to investigate the possibility of increasing the content of Mn by studying the effect of cooling rate on the formation of Fe- and Mn-rich intermetallics at different content levels of Mn and Fe. The results indicated that in Al-5Mg-Mn alloy with low Fe content (<0.1 wt %), intermetallic Al₆(Fe,Mn) was small in size and amount. With increasing Mn content, intermetallic Al₆(Fe,Mn) increased, but in limited amount. In high-Fe-containing Al-5Mg-Mn alloys (0.5 wt % Fe), intermetallic Al₆(Fe,Mn) became the dominant phase, even in the alloy with low Mn content (0.39 wt %). Cooling rate played a critical role in the refinement of the intermetallics. Under near-rapid cooling, intermetallic Al₆(Fe,Mn) was extremely refined. Even in the high Mn and/or high-Fe-containing alloys, it still demonstrated fine Chinese script structures. However, once the alloy composition passed beyond the eutectic point, the primary intermetallic Al₆(Fe,Mn) phase displayed extremely coarse platelet-like morphology. Increasing the content of Fe caused intermetallic Al₆(Fe,Mn) to become the primary phase at a lower Mn content.

Hydrogen Ordering in Hexagonal Intermetallic AB5 Type Compounds

NASA Astrophysics Data System (ADS)

Sikora, W.; Kuna, A.

2008-04-01

Intermetallic compounds AB5 type (A = rare-earth atoms, B = transition metal) are known to store reversibly large amounts of hydrogen and as that are discussed in this work. It was shown that the alloy cycling stability can be significantly improved by employing the so-called non-stoichiometric compounds AB5+x and that is why analysis of change of structure turned out to be interesting. A tendency for ordering of hydrogen atoms is one of the most intriguing problems for the unsaturated hydrides. The symmetry analysis method in the frame of the theory of space group and their representation gives opportunity to find all possible transformations of the parent structure. In this work symmetry analysis method was applied for AB5+x structure type (P6/mmm parent symmetry space group). There were investigated all possible ordering types and accompanying atom displacements in positions 1a, 2c, 3g (fully occupied in stoichiometric compounds AB5), in positions 2e, 6l (where atom B could appear in non-stoichiometric compounds) and also 4h, 6m, 6k, 12n, 12o, which could be partly occupied by hydrogen as a result of hydrides. An analysis was carried out of all possible structures of lower symmetry, following from P6/mmm for we k=(0, 0, 0). Also the way of getting the structure described by the P63mc space group with double cell along the z-axiswe k=(0, 0, 0.5), as it is suggested in the work of Latroche et al. is discussed by the symmetry analysis. The analysis was obtained by computer program MODY. The program calculates the so-called basis vectors of irreducible representations of a given symmetry group, which can be used for calculation of possible ordering modes.

Thermodynamic, electronic and magnetic properties of intermetallic compounds through statistical models

NASA Astrophysics Data System (ADS)

Cadeville, M. C.; Pierron-Bohnes, V.; Bouzidi, L.; Sanchez, J. M.

1993-01-01

Local and average electronic and magnetic properties of transition metal alloys are strongly correlated to the distribution of atoms on the lattice sites. The ability of some systems to form long range ordered structures at low temperature allows to discuss their properties in term of well identified occupation operators as those related to long range order (LRO) parameters. We show that using theoretical determinations of these LRO parameters through statistical models like the cluster variation method (CVM) developed to simulate the experimental phase diagrams, we are able to reproduce a lot of physical properties. In this paper we focus on two points: (i) a comparison between CVM results and an experimental determination of the LRO parameter by NMR at 59Co in a CoPt3 compound, and (ii) the modelling of the resistivity of ferromagnetic and paramagnetic intermetallic compounds belonging to Co-Pt, Ni-Pt and Fe-Al systems. All experiments were performed on samples in identified thermodynamic states, implying that kinetic effects are thoroughly taken into account.

The Influence of Ultrasonic Cavitation on the Formation of Fe-Rich Intermetallics in A383 Alloy

NASA Astrophysics Data System (ADS)

Xuan, Yang; Liu, Tao; Nastac, Laurentiu; Brewer, Luke; Levin, Ilya; Arvikar, Vish

2018-06-01

The effect of ultrasonic treatment (UST) on the formation of Fe-rich intermetallics (including sludge) in the A383 alloy is investigated for different processing temperatures in the present study. Differential scanning calorimetry is used to analyze the precipitation temperature of the sludge phase. The results revealed that the sludge will precipitate at a temperature above that of the Al matrix and the precipitation temperature decreases with an increasing cooling rate. UST cavitation applied at different temperatures (600 °C to 750 °C) during the solidification process breaks the sludge into small island-like pieces. However, the aggregation trend of the sludge is not changed. Sludge with small size and uniform distribution is obtained when UST is applied at 600 °C, which is lower than the precipitation temperature of the sludge. At the highest temperature (850 °C), the application of UST has no effect on the formation of either sludge or α-Fe intermetallics. At 750 °C, UST promotes the formation of the sludge when applied at 750 °C.

Joining thick section aluminum to steel with suppressed FeAl intermetallic formation via friction stir dovetailing

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

Reza-E-Rabby, Md.; Ross, Kenneth; Overman, Nicole R.

A new solid-phase technique called friction stir dovetailing (FSD) has been developed for joining thick section aluminum to steel. In FSD, mechanical interlocks are formed at the aluminum-steel interface and are reinforced by metallurgical bonds where intermetallic growth has been uniquely suppressed. Lap shear testing shows superior strength and extension at failure compared to popular friction stir approaches where metallurgical bonding is the only joining mechanism. High resolution microscopy revealed the presence of a 40-70 nm interlayer having a composition of 76.4 at% Al, 18.4 at% Fe, and 5.2 at% Si, suggestive of limited FeAl3 intermetallic formation.

Growth Behavior of Intermetallic Compounds at SnAgCu/Ni and Cu Interfaces

NASA Astrophysics Data System (ADS)

Qi, Lihua; Huang, Jihua; Zhang, Hua; Zhao, Xingke; Wang, Haitao; Cheng, Donghai

2010-02-01

The growth behavior of reaction-formed intermetallic compounds (IMCs) at Sn3.5Ag0.5Cu/Ni and Cu interfaces under thermal-shear cycling conditions was investigated. The results show that the morphology of (Cu x Ni1- x )6Sn5 and Cu6Sn5 IMCs formed both at Sn3.5Ag0.5Cu/Ni and Cu interfaces gradually changed from scallop-like to chunk-like, and different IMC thicknesses developed with increasing thermal-shear cycling time. Furthermore, Cu6Sn5 IMC growth rate at the Sn3.5Ag0.5Cu/Cu interface was higher than that of (Cu x Ni1- x )6Sn5 IMC under thermal-shear cycling. Compared to isothermal aging, thermal-shear cycling led to only one Cu6Sn5 layer at the interface between SnAgCu solder and Cu substrate after 720 cycles. Moreover, Ag3Sn IMC was dispersed uniformly in the solder after reflow. The planar Ag3Sn formed near the interface changed remarkably and merged together to large platelets with increasing cycles. The mechanism of formation of Cu6Sn5, (Cu x Ni1- x )6Sn5 and Ag3Sn IMCs during thermal-shear cycling process was investigated.

The μ3 model of acids and bases: extending the Lewis theory to intermetallics.

PubMed

Stacey, Timothy E; Fredrickson, Daniel C

2012-04-02

A central challenge in the design of new metallic materials is the elucidation of the chemical factors underlying the structures of intermetallic compounds. Analogies to molecular bonding phenomena, such as the Zintl concept, have proven very productive in approaching this goal. In this Article, we extend a foundational concept of molecular chemistry to intermetallics: the Lewis theory of acids and bases. The connection is developed through the method of moments, as applied to DFT-calibrated Hückel calculations. We begin by illustrating that the third and fourth moments (μ(3) and μ(4)) of the electronic density of states (DOS) distribution tune the properties of a pseudogap. μ(3) controls the balance of states above and below the DOS minimum, with μ(4) then determining the minimum's depth. In this way, μ(3) predicts an ideal occupancy for the DOS distribution. The μ(3)-ideal electron count is used to forge a link between the reactivity of transition metals toward intermetallic phase formation, and that of Lewis acids and bases toward adduct formation. This is accomplished through a moments-based definition of acidity which classifies systems that are electron-poor relative to the μ(3)-ideal as μ(3)-acidic, and those that are electron-rich as μ(3)-basic. The reaction of μ(3) acids and bases, whether in the formation of a Lewis acid/base adduct or an intermetallic phase, tends to neutralize the μ(3) acidity or basicity of the reactants. This μ(3)-neutralization is traced to the influence of electronegativity differences at heteroatomic contacts on the projected DOS curves of the atoms involved. The role of μ(3)-acid/base interactions in intermetallic phases is demonstrated through the examination of 23 binary phases forming between 3d metals, the stability range of the CsCl type, and structural trends within the Ti-Ni system.

Theoretical investigation of thermoelectric and elastic properties of intermetallic compounds ScTM (TM = Cu, Ag, Au and Pd)

NASA Astrophysics Data System (ADS)

Iqbal, R.; Bilal, M.; Jalali-Asadabadi, S.; Rahnamaye Aliabad, H. A.; Ahmad, Iftikhar

2018-01-01

In this paper, we explore the structural, electronic, thermoelectric and elastic properties of intermetallic compounds ScTM (TM = Cu, Ag, Au and Pd) using density functional theory. The produced results show high values of Seebeck coefficients and electrical conductivity for these materials. High power factor for these materials at room-temperature shows that these materials may be beneficial for low-temperature thermoelectric devices and alternative energy sources. Furthermore, elastic properties of these compounds are also calculated, which are used to evaluate their mechanical properties. The Cauchy’s pressure and B/G ratio figure out that these compounds are ductile in nature. The calculated results also predict that these compounds are stable against deforming force.

Electron-Poor Polar Intermetallics: Complex Structures, Novel Clusters, and Intriguing Bonding with Pronounced Electron Delocalization.

PubMed

Lin, Qisheng; Miller, Gordon J

2018-01-16

complexity can be realized by small amounts of Li replacing Zn atoms in the parent binary compounds CaZn 2 , CaZn 3 , and CaZn 5 ; their phase formation and bonding schemes can be rationalized by Fermi surface-Brillouin zone interactions between nearly free-electron states. "Cation-rich", electron-poor polar intermetallics have emerged using rare earth metals as the electropositive ("cationic") component together metal/metalloid clusters that mimic the backbones of aromatic hydrocarbon molecules, which give evidence of extensive electronic delocalization and multicenter bonding. Thus, we can identify three distinct, valence electron-poor, polar intermetallic systems that have yielded unprecedented phases adopting novel structures containing complex clusters and intriguing bonding characteristics. In this Account, we summarize our recent specific progress in the developments of novel Au-rich BaAl 4 -type related structures, shown in the "gold-rich grid", lithiation-modulated Ca-Li-Zn phases stabilized by different bonding characteristics, and rare earth-rich polar intermetallics containing unprecedented hydrocarbon-like planar Co-Ge metal clusters and pronounced delocalized multicenter bonding. We will focus mainly on novel structural motifs, bonding analyses, and the role of valence electrons for phase stability.

On the Formation of Sludge Intermetallic Particles in Secondary Aluminum Alloys

NASA Astrophysics Data System (ADS)

Ferraro, Stefano; Bjurenstedt, Anton; Seifeddine, Salem

2015-08-01

The primary precipitation of Fe-rich intermetallics in AlSi9Cu3(Fe) type alloys is studied for different Fe, Mn, and Cr contents and cooling rates. Differential scanning calorimetry, thermal analysis, and interrupted solidification with a rapid quenching technique were used in combination in order to assess the nucleation temperature of sludge particles, as well as to follow their evolution. The results revealed that the sludge nucleation temperature and the release of latent heat during sludge formation are functions of Fe, Mn, and Cr levels in the molten alloy ( i.e., the sludge factor, SF) and cooling rate. Moreover, it can be concluded that sensitivity to sludge formation is not affected by cooling rate; i.e., a decrease in the SF will reduce sludge nucleation temperature to the same extent for a higher cooling rate as for a lower cooling rate. The sludge formation temperature detected will assist foundries in setting the optimal molten metal temperature for preventing sludge formation in holding furnaces and plunger systems.

Gas atomization synthesis of refractory or intermetallic compounds and supersaturated solid solutions

DOEpatents

Anderson, Iver E.; Lograsso, Barbara K.; Ellis, Timothy W.

1994-01-01

A metallic melt is atomized using a high pressure atomizing gas wherein the temperature of the melt and the composition of the atomizing gas are selected such that the gas and melt react in the atomization spray zone to form a refractory or intermetallic compound in the as-atomized powder particles. A metallic melt is also atomized using a high pressure atomizing gas mixture gas wherein the temperature of the melt and the ratio of a reactive gas to a carrier gas are selected to form powder particles comprising a supersaturated solid solution of the atomic species of the reactive gas in the particles. The powder particles are then heat treated to precipitate dispersoids in-situ therein to form a dispersion strengthened material.

Gas atomization synthesis of refractory or intermetallic compounds and supersaturated solid solutions

DOEpatents

Anderson, I.E.; Lograsso, B.K.; Ellis, T.W.

1994-11-29

A metallic melt is atomized using a high pressure atomizing gas wherein the temperature of the melt and the composition of the atomizing gas are selected such that the gas and melt react in the atomization spray zone to form a refractory or intermetallic compound in the as-atomized powder particles. A metallic melt is also atomized using a high pressure atomizing gas mixture gas wherein the temperature of the melt and the ratio of a reactive gas to a carrier gas are selected to form powder particles comprising a supersaturated solid solution of the atomic species of the reactive gas in the particles. The powder particles are then heat treated to precipitate dispersoids in-situ therein to form a dispersion strengthened material. 9 figures.

Homogeneous (Cu, Ni)6Sn5 intermetallic compound joints rapidly formed in asymmetrical Ni/Sn/Cu system using ultrasound-induced transient liquid phase soldering process.

PubMed

Li, Z L; Dong, H J; Song, X G; Zhao, H Y; Tian, H; Liu, J H; Feng, J C; Yan, J C

2018-04-01

Homogeneous (Cu, Ni) 6 Sn 5 intermetallic compound (IMC) joints were rapidly formed in asymmetrical Ni/Sn/Cu system by an ultrasound-induced transient liquid phase (TLP) soldering process. In the traditional TLP soldering process, the intermetallic joints formed in Ni/Sn/Cu system consisted of major (Cu, Ni) 6 Sn 5 and minor Cu 3 Sn IMCs, and the grain morphology of (Cu, Ni) 6 Sn 5 IMCs subsequently exhibited fine rounded, needlelike and coarse rounded shapes from the Ni side to the Cu side, which was highly in accordance with the Ni concentration gradient across the joints. However, in the ultrasound-induced TLP soldering process, the intermetallic joints formed in Ni/Sn/Cu system only consisted of the (Cu, Ni) 6 Sn 5 IMCs which exhibited an uniform grain morphology of rounded shape with a remarkably narrowed Ni concentration gradient. The ultrasound-induced homogeneous intermetallic joints exhibited higher shear strength (61.6 MPa) than the traditional heterogeneous intermetallic joints (49.8 MPa). Copyright © 2017 Elsevier B.V. All rights reserved.

Effects of metallic nanoparticle doped flux on the interfacial intermetallic compounds between lead-free solder ball and copper substrate

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

Sujan, G.K., E-mail: sgkumer@gmail.com; Haseeb, A.S.M.A., E-mail: haseeb@um.edu.my; Afifi, A.B.M., E-mail: amalina@um.edu.my

2014-11-15

Lead free solders currently in use are prone to develop thick interfacial intermetallic compound layers with rough morphology which are detrimental to the long term solder joint reliability. A novel method has been developed to control the morphology and growth of intermetallic compound layers between lead-free Sn–3.0Ag–0.5Cu solder ball and copper substrate by doping a water soluble flux with metallic nanoparticles. Four types of metallic nanoparticles (nickel, cobalt, molybdenum and titanium) were used to investigate their effects on the wetting behavior and interfacial microstructural evaluations after reflow. Nanoparticles were dispersed manually with a water soluble flux and the resulting nanoparticlemore » doped flux was placed on copper substrate. Lead-free Sn–3.0Ag–0.5Cu solder balls of diameter 0.45 mm were placed on top of the flux and were reflowed at a peak temperature of 240 °C for 45 s. Angle of contact, wetting area and interfacial microstructure were studied by optical microscopy, field emission scanning electron microscopy and energy-dispersive X-ray spectroscopy. It was observed that the angle of contact increased and wetting area decreased with the addition of cobalt, molybdenum and titanium nanoparticles to flux. On the other hand, wettability improved with the addition of nickel nanoparticles. Cross-sectional micrographs revealed that both nickel and cobalt nanoparticle doping transformed the morphology of Cu{sub 6}Sn{sub 5} from a typical scallop type to a planer one and reduced the intermetallic compound thickness under optimum condition. These effects were suggested to be related to in-situ interfacial alloying at the interface during reflow. The minimum amount of nanoparticles required to produce the planer morphology was found to be 0.1 wt.% for both nickel and cobalt. Molybdenum and titanium nanoparticles neither appear to undergo alloying during reflow nor have any influence at the solder/substrate interfacial reaction. Thus

Competition between magnetism and superconductivity in Eu-based intermetallic compounds

NASA Astrophysics Data System (ADS)

Stavinoha, Macy; Green, Lance; Chan, Julia; Morosan, Emilia

Eu-based intermetallic compounds present a path to discover new correlated electronic behavior in quantum materials. Reports of superconductivity, intermediate valence behavior, and heavy fermions indicate that Eu-based compounds are promising routes to study the relationship between crystallography and electronic properties. The present work is focused on EuGa4, an antiferromagnet with TN = 16 K isostructural with the tetragonal RT2M2 (R = rare earth, T = transition metal, M = metal or metalloid) family that exhibits heavy fermion behavior and unconventional superconductivity. Single crystals of the doped series (Eu1-xLax)Ga4, (Eu1-xCax)Ga4, and Eu(Ga1-xAlx)4 have been grown using the self-flux method and tested for change in unit cell volume and magnetic susceptibility. Results show that doping with Ca (isoelectronic doping) and La (hole doping) reduce TN to 12.4 K and 2.3 K, respectively, for Ca doping up to x = 0.11 and La doping up to x = 0.74 without an associated change in unit cell volume. The series Eu(Ga1-xAlx)4 has shown incommensurate-to-commensurate magnetic transitions. Future studies will aim to further decrease TN and the unit cell volume using physical pressure and chemical pressure through doping. ICAM, Gordon and Betty Moore Foundation.

Electron-Poor Polar Intermetallics: Complex Structures, Novel Clusters, and Intriguing Bonding with Pronounced Electron Delocalization

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

Lin, Qisheng; Miller, Gordon J.

Intermetallic compounds represent an extensive pool of candidates for energy related applications stemming from magnetic, electric, optic, caloric, and catalytic properties. The discovery of novel intermetallic compounds can enhance understanding of the chemical principles that govern structural stability and chemical bonding as well as finding new applications. Valence electron-poor polar intermetallics with valence electron concentrations (VECs) between 2.0 and 3.0 e –/atom show a plethora of unprecedented and fascinating structural motifs and bonding features. Furthermore, establishing simple structure-bonding-property relationships is especially challenging for this compound class because commonly accepted valence electron counting rules are inappropriate.

Electron-Poor Polar Intermetallics: Complex Structures, Novel Clusters, and Intriguing Bonding with Pronounced Electron Delocalization

DOE PAGES

Lin, Qisheng; Miller, Gordon J.

2017-12-18

Intermetallic compounds represent an extensive pool of candidates for energy related applications stemming from magnetic, electric, optic, caloric, and catalytic properties. The discovery of novel intermetallic compounds can enhance understanding of the chemical principles that govern structural stability and chemical bonding as well as finding new applications. Valence electron-poor polar intermetallics with valence electron concentrations (VECs) between 2.0 and 3.0 e –/atom show a plethora of unprecedented and fascinating structural motifs and bonding features. Furthermore, establishing simple structure-bonding-property relationships is especially challenging for this compound class because commonly accepted valence electron counting rules are inappropriate.

Interfacial reaction of intermetallic compounds of ultrasonic-assisted brazed joints between dissimilar alloys of Ti6Al4V and Al4Cu1Mg.

PubMed

Ma, Zhipeng; Zhao, Weiwei; Yan, Jiuchun; Li, Dacheng

2011-09-01

Ultrasonic-assisted brazing of Al4Cu1Mg and Ti6Al4V using Zn-based filler metal (without and with Si) has been investigated. Before brazing, the Ti6Al4V samples were pre-treated by hot-dip aluminizing and ultrasonic dipping in a molten filler metal bath in order to control the formation of intermetallic compounds between the Ti6Al4V samples and the filler metal. The results show that the TiAl(3) phase was formed in the interface between the Ti6Al4V substrate and the aluminized coating. For the Zn-based filler metal without Si, the Ti6Al4V interfacial area of the brazed joint did not change under the effect of the ultrasonic wave, and only consisted of the TiAl(3) phase. For the Zn-based filler metal with Si, the TiAl(3) phase disappeared and a Ti(7)Al(5)Si(12) phase was formed at the interfacial area of the brazed joints under the effect of the ultrasonic wave. Due to the TiAl(3) phase completely changing to a Ti(7)Al(5)Si(12) phase, the morphology of the intermetallic compounds changed from a block-like shape into a lamellar-like structure. The highest shear strength of 138MPa was obtained from the brazed joint free of the block-like TiAl(3) phase. Copyright © 2011 Elsevier B.V. All rights reserved.

The characteristics of hot swaged NiAl intermetallic compounds with ternary additions consolidated by HIP techniques

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

Ishiyama, S.; Eto, M.; Mishima, Y.

Stoichiometric and non-stoichiometric NiAl intermetallics with ternary additives, such as Ti, Zr, Hf, V, Nb, Ta, Cr, Mo or Mo/e, W, Mn, Fe, Cu and B, fabricated with the combination of Hot Isostatic Pressing (HIP) and hot swaging techniques have been investigated. The mechanical properties of hot swaged NiAl with various ternary additives, consolidated by ion beam casting or HIP techniques, have been tested at temperatures ranging from R.T. to 1,000 C. It is found that significant tensile elongation at room temperature can be achieved by hot swaged as-HIP`ed NiAl compounds with Mo or Mo/Re additives, whereas cast and hotmore » swaged compounds with Mo addition resulted in some elongation above 400 C.« less

Magnetic field controlled floating-zone single crystal growth of intermetallic compounds

NASA Astrophysics Data System (ADS)

Hermann, R.; Gerbeth, G.; Priede, J.

2013-03-01

Radio-frequency (RF) floating zone single crystal growth is an important technique for the preparation of single bulk crystals. The advantage of the floating-zone method is the crucible-free growth of single crystals of reactive materials with high melting points. The strong heat diffusion on the surface, as well as the melt convection in the molten zone due to induction heating, often leads to an undesired solid-liquid interface geometry with a concave (towards the solid phase) outer rim. These concave parts aggravate the single crystal growth over the full cross-section. A two-phase stirrer was developed at IFW Dresden in order to avoid the problems connected with these concave parts. It acts as a magnetic field pump and changes the typical double vortex structure to a single roll structure, thus pushing hot melt into the regions where the concave parts may arise. The current in the secondary coil is induced by the primary coil, and the capacitor and the resistance of the secondary circuit are adjusted to get a stable 90 degree phase-shift between the coil currents. Single crystal growth of industrial relevant RuAl and TiAl intermetallic compounds was performed based on the material parameters and using the adjusted two-phase stirrer. Very recently, the magnetic system was applied to the crystal growth of biocompatible TiNb alloys and antiferromagnetic Heusler MnSi compounds.

Smart Solution Chemistry to Sn-Containing Intermetallic Compounds through a Self-Disproportionation Process.

PubMed

Zhang, Yuelan; Li, Liping; Li, Qi; Fan, Jianming; Zheng, Jing; Li, Guangshe

2016-09-26

Developing new methods to synthesize intermetallics is one of the most critical issues for the discovery and application of multifunctional metal materials; however, the synthesis of Sn-containing intermetallics is challenging. In this work, we demonstrated for the first time that a self-disproportionation-induced in situ process produces cavernous Sn-Cu intermetallics (Cu3 Sn and Cu6 Sn5 ). The successful synthesis is realized by introducing inorganic metal salts (SnCl2 ⋅2 H2 O) to NaOH aqueous solution to form an intermediate product of reductant (Na2 SnO2 ) and by employing steam pressures that enhance the reduction ability. Distinct from the traditional in situ reduction, the current reduction process avoided the uncontrolled phase composition and excessive use of organic regents. An insight into the mechanism was revealed for the Sn-Cu case. Moreover, this method could be extended to other Sn-containing materials (Sn-Co, Sn-Ni). All these intermetallics were attempted in the catalytic effect on thermal decompositions of ammonium perchlorate. It is demonstrated that Cu3 Sn showed an outstanding catalytic performance. The superior property might be primarily originated from the intrinsic chemical compositions and cavernous morphology as well. We supposed that this smart solution reduction methodology reported here would provide a new recognition for the reduction reaction, and its modified strategy may be applied to the synthesis of other metals, intermetallics as well as some unknown materials. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Single crystal growth of the Er2PdSi3 intermetallic compound

NASA Astrophysics Data System (ADS)

Mazilu, I.; Frontzek, M.; Löser, W.; Behr, G.; Teresiak, A.; Schultz, L.

2005-02-01

Single crystals of the Er2PdSi3 intermetallic compound melting congruently at 1648 ∘C, were grown by a floating zone method with radiation heating. The control of oxygen content was the key factor to avoid oxide precipitates, which can affect effective grain selection in the crystal growth process. Crystals grown at velocities of 5 mm/h with a preferred direction close to (1 0 0) with inclination angles of about 12 ∘ against the rod axis show very distinct facets at the rod surface. The crystals are Pd-depleted and Si-rich with respect to the nominal Er2PdSi3 stoichiometry, but exhibit inferior element segregation. Measurements on oriented single crystalline samples revealed antiferromagnetic ordering below 7 K, a magnetic easy axis parallel to the (0 0 1) axis of the AlB2-type hexagonal unit cell, and anisotropic electric properties.

Hydrides of intermetallic compounds with a H/M ratio greater than unity obtained at high hydrogen pressures

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

Semenenko, K.N.; Klyamkin, S.N.

1993-11-01

Novel hydride phases with H/M > 1 based on Zr{sub 2}Pd, Hf{sub 2}Pd, and Hf{sub 2}Cu (structures of the MoSi{sub 2} type) have been synthesized at high H{sub 2} pressures. The X-ray diffraction investigations of the resulting hydrides have been carried out. Some factors determining the maximum hydrogen content in the hydrides of intermetallic compounds are discussed. A model structure of the hydrides obtained is proposed, which assumes the possibility of direct H-H interactions when the interatomic distances are less than 1 {angstrom}.

Prediction and characterization of an Mg-Al intermetallic compound with potentially improved ductility via orbital-free and Kohn-Sham density functional theory

NASA Astrophysics Data System (ADS)

Zhuang, Houlong L.; Chen, Mohan; Carter, Emily A.

2017-10-01

Magnesium-aluminum (Mg-Al) intermetallic compounds that form as precipitates can significantly influence the mechanical properties of Mg-Al alloys. A computational evaluation of known and unknown Mg-Al intermetallic compounds could help design new Mg-Al alloy microstructures with optimal properties. Here, we employ the cluster-expansion method with energies efficiently calculated with orbital-free density functional theory (OFDFT) and predict a new, metastable intermetallic compound Mg3Al with a D019 hexagonal structure that is slightly more stable than an alternative L12 cubic structure. We apply Kohn-Sham DFT (KSDFT) to accurately evaluate various metastability criteria for D019 and L12 Mg3Al, including Born’s criterion and phonon dispersion. We show that both Mg3Al crystalline phases satisfy the metastability criteria and hence should be at least metastable. We further compare ductility metrics for D019 and L12 Mg3Al to that of hexagonal-close-packed Mg by computing Pugh’s ratio and generalized stacking fault energies. The ductility is predicted to follow the order: D019 Mg3Al > L12 Mg3Al > Mg, based on the highest Pugh’s ratio and the lowest unstable stacking and twinning fault energies of D019 Mg3Al compared to that of Mg. We also predict a very low antiphase boundary energy for Mg3Al and therefore expect D019 Mg3Al to be beneficial for improving the ductility of Mg-rich Mg-Al alloys. A computational design of Mg-Al alloy microstructures may become possible by combining the strengths of both OFDFT and KSDFT, i.e., the efficiency of the former and the accuracy of the latter, as demonstrated here.

Microstructure Characterization and Wear-Resistant Properties Evaluation of an Intermetallic Composite in Ni-Mo-Si System.

PubMed

Huang, Boyuan; Song, Chunyan; Liu, Yang; Gui, Yongliang

2017-02-04

Intermetallic compounds have been studied for their potential application as structural wear materials or coatings on engineering steels. In the present work, a newly designed intermetallic composite in a Ni-Mo-Si system was fabricated by arc-melting process with commercially pure metal powders as starting materials. The chemical composition of this intermetallic composite is 45Ni-40Mo-15Si (at %), selected according to the ternary alloy diagram. The microstructure was characterized using optical microscopy (OM), scanning electron microscopy (SEM), X-ray diffraction (XRD), and energy dispersive spectroscopy (EDS), and the wear-resistant properties at room temperature were evaluated under different wear test conditions. Microstructure characterization showed that the composite has a dense and uniform microstructure. XRD results showed that the intermetallic composite is constituted by a binary intermetallic compound NiMo and a ternary Mo₂Ni₃Si metal silicide phase. Wear test results indicated that the intermetallic composite has an excellent wear-resistance at room-temperature, which is attributed to the high hardness and strong atomic bonding of constituent phases NiMo and Mo₂Ni₃Si.

Multiplet Splitting Effects on Core-Level Photoemission and Inverse-Photoemission Spectra of Uranium Intermetallic Compounds

NASA Astrophysics Data System (ADS)

Okada, Kozo

1999-03-01

The present paper discusses the role of U 5f-5f exchange interaction (J) in the inverse photoemission spectrum (IPES) and the U 4f x-ray photoemission spectrum (XPS) of uranium intermetallic compounds. The origin of the broad main peak in the IPES of UPd3 and UPd2Al3, for instance, is ascribed to the exchange coupling effects of 5f electrons. In other words, whether the ground state is of high-spin or of low-spin is directly reflected in the width of the IPES. On the other hand, the interpretation for the U 4f photoemission spectrum is not so greatly influenced by J. The full-multiplet calculations are also performed for an U4+ ion for comparison.

In situ study on the effect of thermomigration on intermetallic compounds growth in liquid-solid interfacial reaction

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

Qu, Lin; Zhao, Ning; Ma, Haitao, E-mail: htma@dlut.edu.cn

2014-05-28

Synchrotron radiation real-time imaging technology was carried out in situ to observe and characterize the effect of thermomigration on the growth behavior of interfacial intermetallic compounds (IMCs) in Cu/Sn/Cu solder joint during soldering. The thermomigration resulted in asymmetrical formation and growth of the interfacial IMCs. Cu{sub 6}Sn{sub 5} and Cu{sub 3}Sn IMCs formed at the cold end and grew rapidly during the whole soldering process. However, only Cu{sub 6}Sn{sub 5} IMC formed at the hot end and remained relatively thin until solidification. The IMCs at the cold end were nearly seven times thicker than that at the hot end aftermore » solidification. The Cu dissolution at the cold end was significantly restrained, while that at the hot end was promoted, which supplied Cu atoms to diffuse toward the cold end under thermomigration to feed the rapid IMC growth. Moreover, the thermomigration also caused asymmetrical morphology of the interfacial IMCs at the cooling stage, i.e., the Cu{sub 6}Sn{sub 5} IMC at the cold end transformed into facet structure, while that at the hot end remained scallop-type. The asymmetrical growth behavior of the interfacial IMCs was analyzed from the view point of kinetics.« less

Soldering-induced Cu diffusion and intermetallic compound formation between Ni/Cu under bump metallization and SnPb flip-chip solder bumps

NASA Astrophysics Data System (ADS)

Huang, Chien-Sheng; Jang, Guh-Yaw; Duh, Jenq-Gong

2004-04-01

Nickel-based under bump metallization (UBM) has been widely used as a diffusion barrier to prevent the rapid reaction between the Cu conductor and Sn-based solders. In this study, joints with and without solder after heat treatments were employed to evaluate the diffusion behavior of Cu in the 63Sn-37Pb/Ni/Cu/Ti/Si3N4/Si multilayer structure. The atomic flux of Cu diffused through Ni was evaluated from the concentration profiles of Cu in solder joints. During reflow, the atomic flux of Cu was on the order of 1015-1016 atoms/cm2s. However, in the assembly without solder, no Cu was detected on the surface of Ni even after ten cycles of reflow. The diffusion behavior of Cu during heat treatments was studied, and the soldering-process-induced Cu diffusion through Ni metallization was characterized. In addition, the effect of Cu content in the solder near the solder/intermetallic compound (IMC) interface on interfacial reactions between the solder and the Ni/Cu UBM was also discussed. It is evident that the (Cu,Ni)6Sn5 IMC might form as the concentration of Cu in the Sn-Cu-Ni alloy exceeds 0.6 wt.%.

Method for making devices having intermetallic structures and intermetallic devices made thereby

DOEpatents

Paul, Brian Kevin; Wilson, Richard Dean; Alman, David Eli

2004-01-06

A method and system for making a monolithic intermetallic structure are presented. The structure is made from lamina blanks which comprise multiple layers of metals which are patternable, or intermetallic lamina blanks that are patternable. Lamina blanks are patterned, stacked and registered, and processed to form a monolithic intermetallic structure. The advantages of a patterned monolithic intermetallic structure include physical characteristics such as melting temperature, thermal conductivity, and corrosion resistance. Applications are broad, and include among others, use as a microreactor, heat recycling device, and apparatus for producing superheated steam. Monolithic intermetallic structures may contain one or more catalysts within the internal features.

FP-LAPW based investigation of structural, electronic and mechanical properties of CePb{sub 3} intermetallic compound

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

Pagare, Gitanjali, E-mail: gita-pagare@yahoo.co.in; Jain, Ekta, E-mail: jainekta05@gmail.com; Abraham, Jisha Annie, E-mail: disisjisha@yahoo.com

A theoretical study of structural, electronic, elastic and mechanical properties of CePb{sub 3} intermetallic compound has been investigated systematically using first principles density functional theory. The calculations are carried out within the three different forms of generalized gradient approximation (GGA) and LSDA for the exchange correlation potential. The ground state properties such as lattice parameter (a{sub 0}), bulk modulus (B) and its pressure derivative (B′) are calculated and obtained lattice parameter of this compound shows well agreement with the experimental results. We have calculated three independent second order elastic constants (C{sub 11}, C{sub 12} and C{sub 44}), which has notmore » been calculated and measured yet. From energy dispersion curves, it is found that the studied compound is metallic in nature. Ductility of this compound is analyzed using Pugh’s criteria and Cauchy's pressure (C{sub 11}-C{sub 12}). The mechanical properties such as Young's modulus, shear modulus, anisotropic ratio, Poison's ratio have been calculated for the first time using the Voigt–Reuss–Hill (VRH) averaging scheme. The average sound velocities (v{sub m}), density (ρ) and Debye temperature (θ{sub D}) of this compound are also estimated from the elastic constants.« less

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.

Copper/solder intermetallic growth studies.

PubMed

Kirchner, K W; Lucey, G K; Geis, J

1993-08-01

Copper samples, hot solder (eutectic) dipped and thermally aged, were cross-sectioned and placed in an environmental scanning electronic microscope (ESEM). While in the ESEM the samples were heated for approximately 2.5 h at 170 degrees C to stimulate the growth of additional Cu/Sn intermetallic compound. The intent of the study was to obtain a continuous real-time videotape record of the diffusion process and compare the observations to static SEM images reported to represent long-term, naturally aged intermetallic growth. The video obtained allows the observation of the diffusion process and relativistic growth phenomena at the Cu, Cu3Sn, Cu6Sn5, and solder interfaces as well as effects on the bulk Cu and solder. Effects contrary to earlier reports were observed; for example, growth rates of Cu3Sn were found to greatly exceed those of Cu6Sn5.

Micromechanisms of intergranular brittle ftacture in intermetallic compounds

NASA Astrophysics Data System (ADS)

Vitek, V.

1991-06-01

Grain boundaries in intermetallic compounds such as Ni3A1 are inherently brittle. The reason is usually sought in grain boundary cohesion but in metals even brittle fracture is accompanied by some local plasticity and thus not only cohesion but also dislocation mobility in the boundary region need to be studied. We first discuss here the role of an irreversible shear deformation at the crack tip during microcrack propagation assuming that these two processes are concomitant. It is shown that a pre-existing crack cannot propagate in a brittle manner once the dislocation emission occurs. However, if a microcrack nucleates during loading it can propagate concurrently with the development of the irreversible shear deformation at the crack tip. The latter is then the major energy dissipating process. In the second part of this paper we present results of atomistic studies of grain boundaries in Ni3A1 and CU3Au which suggest that substantial structural differences exist between strongly and weakly ordered L12 alloys. We discuss then the consequence of these differences for intergranular brittleness in the framework of the above model for microcrack propagation. On this basis we propose an explanation for the intrinsic intergranular brittleness in some L12 alloys and relate it directly to the strength of ordering. Les joints de grains dans les composés intermétalliques de type Ni3AI sont de nature fragile. L'origine de cette fragilité est habituellement dans la cohésion des joints de grains. Dans les métaux, cependant, même la rupture fragile est accompagnée d'une certaine déformation plastique locale, de telle sorte que non seulement la cohésion mais aussi la mobilité des dislocations près des joints doit être étudiée. Nous discutons d'abord le rôle d'une déformation en cisaillement irréversible en tête de fissure pendant la propagation de cette fissure, en supposant que les deux processus sont concomitants. Nous montrons qu'une fissure préexistante ne

Formation of intermetallics at the interface of explosively welded Ni-Al multilayered composites during annealing

NASA Astrophysics Data System (ADS)

Ogneva, T. S.; Lazurenko, D. V.; Bataev, I. A.; Mali, V. I.; Esikov, M. A.; Bataev, A. A.

2016-04-01

The Ni-Al multilayer composite was fabricated using explosive welding. The zones of mixing of Ni and Al are observed at the composite interfaces after the welding. The composition of these zones is inhomogeneous. Continuous homogeneous intermetallic layers are formed at the interface after heat treatment at 620 °C during 5 h These intermetallic layers consist of NiAl3 and Ni2Al3 phases. The presence of mixed zones significantly accelerates the growth rate of intermetallic phases at the initial stages of heating.

Forming metal-intermetallic or metal-ceramic composites by self-propagating high-temperature reactions

DOEpatents

Rawers, James C.; Alman, David E.; Petty, Jr., Arthur V.

1996-01-01

Industrial applications of composites often require that the final product have a complex shape. In this invention intermetallic or ceramic phases are formed from sheets of unreacted elemental metals. The process described in this invention allows the final product shape be formed prior to the formation of the composite. This saves energy and allows formation of shaped articles of metal-intermetallic composites composed of brittle materials that cannot be deformed without breaking.

Effect of Si on Fe-rich intermetallic formation and mechanical properties of heat-treated Al–Cu–Mn–Fe alloys

NASA Astrophysics Data System (ADS)

Zhao, Yuliang; Zhang, Weiwen; Yang, Chao; Zhang, Datong; Wang, Zhi

2018-04-01

The effect of Si on Fe-rich intermetallics formation and mechanical properties of heat-treated squeeze cast Al-5.0Cu-0.6Mn-0.7Fe alloy was investigated. Our results show that increasing Si content promotes the formation of Al15(FeMn)3(SiCu)2 (${\\alpha}$-Fe), and varying the morphology of T (Al20Cu3Mn2) where the size decreases and the amount increases. The major reason is that Si promotes heterogeneous nucleation of the intermetallics leading to finer precipitates. Si addition significantly enhances ultimate tensile strength and yield strength of the alloys. The strengthening effect is mainly owing to the dispersoid strengthening by increasing volume fraction of T phase and less harmful ${\\alpha}$-Fe with a compact structure, which make the cracks more difficult to initiate and propagation during tensile test. The squeeze cast Al-5.0Cu-0.6Mn-0.7Fe alloy with 1.1% Si shows significantly improved mechanical properties than the alloy without Si addition, which has tensile strength of 386 MPa, yield strength of 280 MPa and elongation of 8.6%.

Formation of intermetallic phases in AlSi7Fe1 alloy processed under microgravity and forced fluid flow conditions and their influence on the permeability

NASA Astrophysics Data System (ADS)

Steinbach, S.; Ratke, L.; Zimmermann, G.; Budenkova, O.

2016-03-01

Ternary Al-6.5wt.%Si-0.93wt.%Fe alloy samples were directionally solidified on-board of the International Space Station ISS in the ESA payload Materials Science Laboratory (MSL) equipped with Low Gradient Furnace (LGF) under both purely diffusive and stimulated convective conditions induced by a rotating magnetic field. Using different analysis techniques the shape and distribution of the intermetallic phase β-Al5SiFe in the dendritic microstructure was investigated, to study the influence of solidification velocity and fluid flow on the size and spatial arrangement of intermetallics. Deep etching as well as 3-dimensional computer tomography measurements characterized the size and the shape of β-Al5SiFe platelets: Diffusive growth results in a rather homogeneous distribution of intermetallic phases, whereas forced flow promotes an increase in the amount and the size of β-Al5SiFe platelets in the centre region of the samples. The β-Al5SiFe intermetallics can form not only simple platelets, but also be curved, branched, crossed, interacting with dendrites and porosity located. This leads to formation of large and complex groups of Fe-rich intermetallics, which reduce the melt flow between dendrites leading to lower permeability of the mushy zone and might significantly decrease feeding ability in castings.

Magnetic ordering in intermetallic La1-xTbxMn2Si2 compounds

NASA Astrophysics Data System (ADS)

Korotin, Dm. M.; Streltsov, S. V.; Gerasimov, E. G.; Mushnikov, N. V.; Zhidkov, I. S.; Kukharenko, A. I.; Finkelstein, L. D.; Cholakh, S. O.; Kurmaev, E. Z.

2018-05-01

The magnetic structures and magnetic phase transitions in intermetallic layered La1-xTbxMn2Si2 compounds (the ThCr2Si2-type structure) are investigated using the first-principles method and XPS measurements. The experimentally observed transition from ferromagnetic (FM) to antiferromagnetic (AFM) ordering of Mn sublattice with increase of terbium concentration is successfully reproduced in calculations for collinear magnetic moments model. The FM →AFM change of interplane magnetic ordering at small x is irrelevant to the number of f-electrons of the rare-earth ion. In contrast it was shown to be related to the Mn-Mn in-plane distance. Calculated Tb critical concentration for this transition x ≈ 0.14 corresponds to the Mn-Mn in-plane distance 0.289 nm, very close to the experimentally observed transition distance 0.287 nm. The crystal cell compression due to substitution increases an overlap between Mndxz,yz and the rare-earth ion d orbitals. Resulting hybridized states manifest themselves as an additional peak in the density of states. We suggest that a corresponding interlayer Mn-R-Mn superexchange interaction stabilizes AFM magnetic ordering in these compounds with Tb doping level x > 0.2 . The results of DFT calculations are in agreement with X-ray photoemission spectra for La1-xTbxMn2Si2 .

Intermetallic Compound Growth and Stress Development in Al-Cu Diffusion Couple

NASA Astrophysics Data System (ADS)

Mishler, M.; Ouvarov-Bancalero, V.; Chae, Seung H.; Nguyen, Luu; Kim, Choong-Un

2018-01-01

This paper reports experimental observations evidencing that the intermetallic compound phase interfaced with Cu in the Al-Cu diffusion couple is most likely α2-Cu3Al phase, not γ-Cu9Al4 phase as previously assumed, and that its growth to a critical thickness may result in interface failure by stress-driven fracture. These conclusions are made based on an interdiffusion study of a diffusion couple made of a thick Cu plate coated with ˜ 2- μm-thick Al thin film. The interface microstructure and lattice parameter were characterized using scanning electron microscopy and x-ray diffraction analysis. Specimens aged at temperature between 623 K (350°C) and 723 K (450°C) for various hours produced consistent results supporting the main conclusions. It is found that disordered α2-Cu3Al phase grows in a similar manner to solid-state epitaxy, probably owing to its structural similarity to the Cu lattice. The increase in the interface strain that accompanies the α2-Cu3Al phase growth ultimately leads to interface fracture proceeding from crack initiation and growth along the interface. This mechanism provides the most consistent explanation for interface failures observed in other studies.

Effects of Fragmented Fe Intermetallic Compounds on Ductility in Al-Si-Mg Alloys.

PubMed

Kim, JaeHwang; Kim, DaeHwan

2018-03-01

Fe is intentionally added in order to form the Fe intermetallic compounds (Fe-IMCs) during casting. Field emission scanning electron microscope with energy dispersive spectrometer (EDS) was conducted to understand microstructural changes and chemical composition analyses. The needlelike Fe-IMCs based on two dimensional observation with hundreds of micro size are modified to fragmented particles with the minimum size of 300 nm through clod rolling with 80% thickness reduction. The ratio of Fe:Si on the fragmented Fe-IMCs after 80% reduction is close to 1:1, representing the β-Al5FeSi. The yield and tensile strengths are increased with increasing reduction rate. On the other hand, the elongation is decreased with the 40% reduction, but slightly increased with the 60% reduction. The elongation is dramatically increased over two times for the specimen of 80% reduction compared with that of the as-cast. Fracture behavior is strongly affected by the morphology and size of Fe-IMCs. The fracture mode is changed from brittle to ductile with the microstructure modification of Fe-IMCs.

Effect of severe plastic deformation on the structure and crystal-lattice distortions in the Ni3(Al, X) ( X = Ti, Nb) intermetallic compound

NASA Astrophysics Data System (ADS)

Kazantseva, N. V.; Pilyugin, V. P.; Danilov, S. E.; Kolosov, V. Yu.

2015-05-01

A systematic combined study of crystal lattice distortions caused by doping and by severe plastic deformation (SPD) of Ti- and Nb-doped Ni3Al intermetallic compound has been carried out using methods of X-ray diffraction, electron microscopy, and electrical-resistance measurements. The degree of imperfection of the alloys has been estimated based on the results obtained by all three methods. The degree of structural perfection of niobium-doped crystals was found to be higher than in the case of Ti doping. The character of stresses (tensile stresses after doping; and compressive stresses after SPD) in the crystal lattice has been established and their values have been calculated. A significant increase in the density of dislocations, point defects, and lattice curvature has been found after SPD. A nanocrystalline structure is formed in these alloys, but no complete disordering of the intermetallic phase is observed.

Fracture Behaviors of Sn-Cu Intermetallic Compound Layer in Ball Grid Array Induced by Thermal Shock

NASA Astrophysics Data System (ADS)

Shen, Jun; Zhai, Dajun; Cao, Zhongming; Zhao, Mali; Pu, Yayun

2014-02-01

In this work, thermal shock reliability testing and finite-element analysis (FEA) of solder joints between ball grid array components and printed circuit boards with Cu pads were used to investigate the failure mechanism of solder interconnections. The morphologies, composition, and thickness of Sn-Cu intermetallic compounds (IMC) at the interface of Sn-3.0Ag-0.5Cu lead-free solder alloy and Cu substrates were investigated by scanning electron microscopy and transmission electron microscopy. Based on the experimental observations and FEA results, it can be recognized that the origin and propagation of cracks are caused primarily by the difference between the coefficient of thermal expansion of different parts of the packaged products, the growth behaviors and roughness of the IMC layer, and the grain size of the solder balls.

The role of zinc on the chemistry of complex intermetallic compounds

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

Xie, Weiwei

2014-01-01

Combining experiments and electronic structure theory provides the framework to design and discover new families of complex intermetallic phases and to understand factors that stabilize both new and known phases. Using solid state synthesis and multiple structural determinations, ferromagnetic β-Mn type Co 8+xZn 12–x was analyzed for their crystal and electronic structures.

Formation of Gd-Al Alloy Films by a Molten Salt Electrochemical Process

NASA Astrophysics Data System (ADS)

Caravaca, Concha; De Córdoba, Guadalupe

2008-02-01

The electrochemistry of molten LiCl-KCl-GdCl3 at a reactive Al electrode has been studied at 723 to 823 K. Electrochemical techniques such as cyclic voltammetry and chronopotentiometry have been used in order to identify the intermetallic compounds formed. Cyclic voltammetry showed that, while at an inert W electrode GdCl3 is reduced to Gd metal in a single step at a potential close to the reduction of the solvent, at an Al electrode a shift towards more positive values occurs. This shift of the cathodic potential indicated a reduction of the activity of Gd in Al with respect to that ofW, due to the formation of alloys. The surface characterization of samples formed by both galvanostatic and potentiostatic electrolysis has shown the presence of two intermetallic compounds: GdAl3 and GdAl2. Using open-circuit chronopotentiometry it has been possible to measure the potentials at which these compounds are transformed into each other. The values of these potential plateaus, once transformed into e. f. m. values, allowed to determine the thermodynamic properties of the GdAl3 intermetallic compound.

Amino Acids Aided Sintering for the Formation of Highly Porous FeAl Intermetallic Alloys

PubMed Central

Karczewski, Krzysztof; Stepniowski, Wojciech J.

2017-01-01

Fabrication of metallic foams by sintering metal powders mixed with thermally degradable compounds is of interest for numerous applications. Compounds releasing gaseous nitrogen, minimizing interactions between the formed gases and metallic foam by diluting other combustion products, were applied. Cysteine and phenylalanine, were used as gas releasing agents during the sintering of elemental Fe and Al powders in order to obtain metallic foams. Characterization was carried out by optical microscopy with image analysis, scanning electron microscopy with energy dispersive spectroscopy, and gas permeability tests. Porosity of the foams was up to 42 ± 3% and 46 ± 2% for sintering conducted with 5 wt % cysteine and phenylalanine, respectively. Chemical analyses of the formed foams revealed that the oxygen content was below 0.14 wt % and the carbon content was below 0.3 wt %. Therefore, no brittle phases could be formed that would spoil the mechanical stability of the FeAl intermetallic foams. The gas permeability tests revealed that only the foams formed in the presence of cysteine have enough interconnections between the pores, thanks to the improved air flow through the porous materials. The foams formed with cysteine can be applied as filters and industrial catalysts. PMID:28773106

Process for synthesizing compounds from elemental powders and product

DOEpatents

Rabin, Barry H.; Wright, Richard N.

1993-01-01

A process for synthesizing intermetallic compounds from elemental powders. The elemental powders are initially combined in a ratio which approximates the stoichiometric composition of the intermetallic compound. The mixed powders are then formed into a compact which is heat treated at a controlled rate of heating such that an exothermic reaction between the elements is initiated. The heat treatment may be performed under controlled conditions ranging from a vacuum (pressureless sintering) to compression (hot pressing) to produce a desired densification of the intermetallic compound. In a preferred form of the invention, elemental powders of Fe and Al are combined to form aluminide compounds of Fe.sub.3 Al and FeAl.

Quantum many-body intermetallics: Phase stability of Fe3Al and small-gap formation in Fe2VAl

NASA Astrophysics Data System (ADS)

Kristanovski, Oleg; Richter, Raphael; Krivenko, Igor; Lichtenstein, Alexander I.; Lechermann, Frank

2017-01-01

Various intermetallic compounds harbor subtle electronic correlation effects. To elucidate this fact for the Fe-Al system, we perform a realistic many-body investigation based on a combination of density functional theory with dynamical mean-field theory in a charge self-consistent manner. A better characterization and understanding of the phase stability of bcc-based D 03-Fe3Al through an improved description of the correlated charge density and the magnetic energy is achieved. Upon replacement of one Fe sublattice with V, the Heusler compound Fe2VAl is realized, known to display bad-metal behavior and increased specific heat. Here we document a charge-gap opening at low temperatures in line with previous experimental work. The gap structure does not match conventional band theory and is reminiscent of (pseudo)gap characteristics in correlated oxides.

Structure and mechanical properties of parts obtained by selective laser melting of metal powder based on intermetallic compounds Ni3Al

NASA Astrophysics Data System (ADS)

Smelov, V. G.; Sotov, A. V.; Agapovichev, A. V.; Nosova, E. A.

2018-03-01

The structure and mechanical properties of samples are obtained from metal powder based on intermetallic compound by selective laser melting. The chemical analysis of the raw material and static tensile test of specimens were made. Change in the samples’ structure and mechanical properties after homogenization during four and twenty-four hours were investigated. A small-sized combustion chamber of a gas turbine engine was performed by the selective laser melting method. The print combustion chamber was subjected to the gas-dynamic test in a certain temperature and time range.

Process for synthesizing compounds from elemental powders and product

DOEpatents

Rabin, B.H.; Wright, R.N.

1993-12-14

A process for synthesizing intermetallic compounds from elemental powders is described. The elemental powders are initially combined in a ratio which approximates the stoichiometric composition of the intermetallic compound. The mixed powders are then formed into a compact which is heat treated at a controlled rate of heating such that an exothermic reaction between the elements is initiated. The heat treatment may be performed under controlled conditions ranging from a vacuum (pressureless sintering) to compression (hot pressing) to produce a desired densification of the intermetallic compound. In a preferred form of the invention, elemental powders of Fe and Al are combined to form aluminide compounds of Fe[sub 3] Al and FeAl. 25 figures.

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

PubMed

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

2010-03-01

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

Novel Gold Intermetallics with Unique Properties and Bonding Patterns

NASA Astrophysics Data System (ADS)

Celania, Christopher Ranger

Gold has drawn the fascination of society through its brilliant color, malleability, and chemical resistance (hence its chemical nobility) since its discovery in ancient times. Today, this material is still highly coveted by consumers, but also for research within the scientific realm. The inclusion of gold in intermetallics often leads to notably unique structural and bonding features due to the pronounced relativistic effects on its 5d and 6s orbitals. Examples include quasicrystals and their approximants, unique gold clusters such as isolated Au7 clusters in A4Au7X2 (A = K, Rb, Cs; X = Ge, Sn), one dimensional columns such as Au zig-zag chains through Ca3Au3In, two dimensional slabs, such as in K2 Au3, as well as three dimensional gold networks as observed in the interconnected trigonal bipyramids in KAu5, hexagonal diamond-like frameworks of Au tetrahedra in Au-rich Sr-Au-Al systems; and combinations of tetrahedral and fourfold planar Au atoms in Rb3Au7. In recent years, compounds in the gold-rich region of the R-Au- M system (R = rare earth, M = groups 13-15) have come under increased study. Many compounds within this system produce varied electronic and magnetic properties such as Pauli paramagnetism, superconductivity, thermoelectricity, etc. The shielded 4f electrons of the added rare earth elements provide the unpaired spins that lead to the wealth of interesting magnetic properties in their compounds. Metals and metalloids from groups 13-15 may then be used as a bank of available options useful in tuning the valence electron count of the R-Au system toward the formation of stable compounds. Exploration of the Gd-Au-Sb system by utilizing common solid state synthesis techniques frequently used for the production of intermetallics (such as arc melting and high-temperature furnaces for self-flux reactions with low melting components) has yielded rich outcomes. These results include the discovery of a new R3Au9Pn series of compounds (R = Y, Gd-Ho; Pn = Sb, Bi

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.

Effect of Ni-P Plating Temperature on Growth of Interfacial Intermetallic Compound in Electroless Nickel Immersion Gold/Sn-Ag-Cu Solder Joints

NASA Astrophysics Data System (ADS)

Seo, Wonil; Kim, Kyoung-Ho; Kim, Young-Ho; Yoo, Sehoon

2018-01-01

The growth of interfacial intermetallic compound and the brittle fracture behavior of Sn-3.0Ag-0.5-Cu solder (SAC305) joints on electroless nickel immersion gold (ENIG) surface finish have been investigated using Ni-P plating solution at temperatures from 75°C to 85°C and fixed pH of 4.5. SAC305 solder balls with diameter of 450 μm were mounted on the prepared ENIG-finished Cu pads and reflowed with peak temperature of 250°C. The interfacial intermetallic compound (IMC) thickness after reflow decreased with increasing Ni-P plating temperature. After 800 h of thermal aging, the IMC thickness of the sample prepared at 85°C was higher than for that prepared at 75°C. Scanning electron microscopy of the Ni-P surface after removal of the Au layer revealed a nodular structure on the Ni-P surface. The nodule size of the Ni-P decreased with increasing Ni-P plating temperature. The Cu content near the IMC layer increased to 0.6 wt.%, higher than the original Cu content of 0.5 wt.%, indicating that Cu diffused from the Cu pad to the solder ball through the Ni-P layer at a rate depending on the nodule size. The sample prepared at 75°C with thicker interfacial IMC showed greater high-speed shear strength than the sample prepared at 85°C. Brittle fracture increased with decreasing Ni-P plating temperature.

Complex magnetic behaviour and evidence of a superspin glass state in the binary intermetallic compound Er5Pd2

NASA Astrophysics Data System (ADS)

Sharma, Mohit K.; Yadav, Kavita; Mukherjee, K.

2018-05-01

The binary intermetallic compound Er5Pd2 has been investigated using dc and ac magnetic susceptibilities, magnetic memory effect, isothermal magnetization, non-linear dc susceptibility, heat capacity and magnetocaloric effect studies. Interestingly, even though the compound does not show geometrical frustration it undergoes glassy magnetic phase transition below 17.2 K. Investigation of dc magnetization and heat capacity data divulged absence of long-ranged magnetic ordering. Through the magnetic memory effect, time dependent magnetization and ac susceptibility studies it was revealed that the compound undergoes glass-like freezing below 17.2 K. Analysis of frequency dependence of this transition temperature through scaling and Arrhenius law; along with the Mydosh parameter indicate, that the dynamics in Er5Pd2 are due to the presence of strongly interacting superspins rather than individual spins. This phase transition was further investigated by non-linear dc susceptibility and was characterized by static critical exponents γ and δ. Our results indicate that this compound shows the signature of superspin glass at low temperature. Additionally, both conventional and inverse magnetocaloric effect was observed with a large value of magnetic entropy change and relative cooling power. Our results suggest that Er5Pd2 can be classified as a superspin glass system with large magnetocaloric effect.

The Influence of Grain Structure on Intermetallic Compound Layer Growth Rates in Fe-Al Dissimilar Welds

NASA Astrophysics Data System (ADS)

Xu, Lei; Robson, Joseph D.; Wang, Li; Prangnell, Philip B.

2018-02-01

The thickness of the intermetallic compound (IMC) layer that forms when aluminum is welded to steel is critical in determining the properties of the dissimilar joints. The IMC reaction layer typically consists of two phases ( η and θ) and many attempts have been made to determine the apparent activation energy for its growth, an essential parameter in developing any predictive model for layer thickness. However, even with alloys of similar composition, there is no agreement of the correct value of this activation energy. In the present work, the IMC layer growth has been characterized in detail for AA6111 aluminum to DC04 steel couples under isothermal annealing conditions. The samples were initially lightly ultrasonically welded to produce a metallic bond, and the structure and thickness of the layer were then characterized in detail, including tracking the evolution of composition and grain size in the IMC phases. A model developed previously for Al-Mg dissimilar welds was adapted to predict the coupled growth of the two phases in the layer, whilst accounting explicitly for grain boundary and lattice diffusion, and considering the influence of grain growth. It has been shown that the intermetallic layer has a submicron grain size, and grain boundary diffusion as well as grain growth plays a critical role in determining the thickening rate for both phases. The model was used to demonstrate how this explains the wide scatter in the apparent activation energies previously reported. From this, process maps were developed that show the relative importance of each diffusion path to layer growth as a function of temperature and time.

The Effect of Sn Orientation on Intermetallic Compound Growth in Idealized Sn-Cu-Ag Interconnects

NASA Astrophysics Data System (ADS)

Kinney, Chris; Linares, Xioranny; Lee, Kyu-Oh; Morris, J. W.

2013-04-01

The work reported here explores the influence of crystal orientation on the growth of the interfacial intermetallic layer during electromigration in Cu||Sn||Cu solder joints. The samples were thin, planar Sn-Ag-Cu (SAC) solder layers between Cu bars subject to a uniaxial current. Electron backscatter diffraction (EBSD) was used to characterize the microstructure before and after testing. The most useful representation of the EBSD data identifies the Sn grain orientation by the angle between the Sn c-axis and the current direction. The tested samples included single-crystal joints with c-axis nearly parallel to the current ("green" samples) and with c-axis perpendicular to the current ("red" samples). At current density of 104 A/cm2 (steady-state temperature of ~150°C), an intermetallic layer grew at an observable rate in the "green" samples, but not in the "red" ones. A current density of 1.15 × 104 A/cm2 (temperature ~160°C) led to measurable intermetallic growth in both samples. The growth fronts were nearly planar and the growth rates constant (after an initial incubation period); the growth rates in the "green" samples were about 10× those in the "red" samples. The Cu concentrations were constant within the joints, showing that the intermetallic growth is dominated by the electromigration flux. The measured growth rates and literature values for the diffusion of Cu in Sn were used to extract values for the effective charge, z *, that governs the electromigration of Cu. The calculated value of z * is significantly larger for current perpendicular to the c-axis than along it.

Crystal field effects in the intermetallic R Ni3Ga9 (R =Tb , Dy, Ho, and Er) compounds

NASA Astrophysics Data System (ADS)

Silva, L. S.; Mercena, S. G.; Garcia, D. J.; Bittar, E. M.; Jesus, C. B. R.; Pagliuso, P. G.; Lora-Serrano, R.; Meneses, C. T.; Duque, J. G. S.

2017-04-01

In this paper, we report temperature-dependent magnetic susceptibility, electrical resistivity, and heat-capacity experiments in the family of intermetallic compounds R Ni3Ga9 (R = Tb, Dy, Ho, and Er). Single-crystalline samples were grown using Ga self-flux method. These materials crystallize in a trigonal ErNi3Al9 -type structure with space group R 32 . They all order antiferromagnetically with TN<20 K . The anisotropic magnetic susceptibility presents large values of the ratio χeasy/χhard indicating strong crystalline electric-field (CEF) effects. The evolution of the crystal-field scheme for each R was analyzed in detail by using a spin model including anisotropic nearest-neighbor Ruderman-Kittel-Kasuya-Yosida interaction and the trigonal CEF Hamiltonian. Our analysis allows one to understand the distinct direction of the ordered moments along the series—the Tb-, Dy-, and Ho-based compounds have the ordered magnetic moments in the easy ab plane and the Er sample magnetization easy axis is along the c ̂ direction.

Strong, ductile, and thermally stable Cu-based metal-intermetallic nanostructured composites.

PubMed

Dusoe, Keith J; Vijayan, Sriram; Bissell, Thomas R; Chen, Jie; Morley, Jack E; Valencia, Leopolodo; Dongare, Avinash M; Aindow, Mark; Lee, Seok-Woo

2017-01-09

Bulk metallic glasses (BMGs) and nanocrystalline metals (NMs) have been extensively investigated due to their superior strengths and elastic limits. Despite these excellent mechanical properties, low ductility at room temperature and poor microstructural stability at elevated temperatures often limit their practical applications. Thus, there is a need for a metallic material system that can overcome these performance limits of BMGs and NMs. Here, we present novel Cu-based metal-intermetallic nanostructured composites (MINCs), which exhibit high ultimate compressive strengths (over 2 GPa), high compressive failure strain (over 20%), and superior microstructural stability even at temperatures above the glass transition temperature of Cu-based BMGs. Rapid solidification produces a unique ultra-fine microstructure that contains a large volume fraction of Cu 5 Zr superlattice intermetallic compound; this contributes to the high strength and superior thermal stability. Mechanical and microstructural characterizations reveal that substantial accumulation of phase boundary sliding at metal/intermetallic interfaces accounts for the extensive ductility observed.

First principles electronic and thermal properties of some AlRE intermetallics

NASA Astrophysics Data System (ADS)

Srivastava, Vipul; Sanyal, Sankar P.; Rajagopalan, M.

2008-10-01

A study on structural and electronic properties of non-magnetic cubic B 2-type AlRE (RE=Sc, Y, La, Ce, Pr and Lu) intermetallics has been done theoretically. The self-consistent tight binding linear muffin tin orbital method is used to describe the electronic properties of these intermetallics at ambient and at high pressure. These compounds show metallic behavior under ambient conditions. The variation of density of states under compression indicates some possibility of structural phase transformation in AlLa, AlCe and AlPr. Thermal properties like Debye temperature and Grüneisen constant are calculated at T=0 K and at ambient pressure within the Debye-Grüneisen model and compared with the others’ theoretical results. Our results are in good agreement. We have also performed a pressure-induced variation of Debye temperature and have found a decrease in Debye temperature around 40 kbar in AlRE (RE=La, Ce, Pr) intermetallics.

Effects of Electrical Current and External Stress on the Electromigration of Intermetallic Compounds Between the Flip-Chip Solder and Copper Substrate

NASA Astrophysics Data System (ADS)

Chen, Wei-Jhen; Lee, Yue-Lin; Wu, Ti-Yuan; Chen, Tzu-Ching; Hsu, Chih-Hui; Lin, Ming-Tzer

2018-01-01

This study investigated the effects of electric current and external stress on electromigration of intermetallic compounds (IMC) between solder and copper substrate. Different samples were tested under three different sets of conditions: (1) thermal aging only, (2) thermal aging with electric current ,where resistivity changes were measured using four-point probe measurements, (3) thermal aging with electric current and external stress provided using a four-point bending apparatus. The micro-structural changes in the samples were observed. The results were closely examined; particularly the coupling effect of electric current and external stress to elucidate the electromigration mechanism, as well as the formation of IMC in the samples. For thermal-aging-only samples, the IMC growth mechanism was controlled by grain boundary diffusion. Meanwhile, for thermal aging and applied electric current samples, the IMC growth mechanism was dominated by volume diffusion and interface reaction. Lastly, the IMC growth mechanism in the electric current and external stress group was dominated by grain boundary diffusion with grain growth. The results reveal that the external stress/strain and electric current play a significant role in the electromigration of copper-tin IMC. The samples exposed to tensile stress have reduced electromigration, while those subjected under compressive stress have enhanced electromigration.

Intermetallic structures with atomic precision for selective hydrogenation of nitroarenes

DOE PAGES

Pei, Yuchen; Qi, Zhiyuan; Goh, Tian Wei; ...

2017-11-14

It is essential to bridge the structure-properties relationship of bimetallic catalysts for the rational design of heterogeneous catalysts. Different from random alloys, intermetallic compounds (IMCs) present atomically-ordered structures, which is advantageous for catalytic mechanism studies. Here, we used Pt-based intermetallic nanoparticles (iNPs), individually encapsulated in mesoporous silica shells, as catalysts for the hydrogenation of nitroarenes to functionalized anilines. With the capping-free nature and ordered atomic structure, PtSn iNPs show >99% selectivity to hydrogenate the nitro group of 3-nitrostyrene albeit with a lower activity, in contrast to Pt 3Sn iNPs and Pt NPs. The geometric structure of PtSn iNPs in eliminatingmore » Pt threefold sites hampers the adsorption/dissociation of molecular H 2 and leads to a non-Horiuti-Polanyi hydrogenation pathway, while Pt 3Sn and Pt surfaces are saturated by atomic H. Calculations using density functional theory (DFT) suggest a preferential adsorption of the nitro group on the intermetallic PtSn surface contributing to its high selectivity.« less

Oxidation of high-temperature intermetallics; Proceedings of the Workshop, Cleveland, OH, Sept. 22, 23, 1988

NASA Technical Reports Server (NTRS)

Grobstein, Toni (Editor); Doychak, Joseph (Editor)

1989-01-01

The present conference on the high-temperature oxidation behavior of aerospace structures-applicable intermetallic compounds discusses the influence of reactive-element additions on the oxidation of Ni3Al base alloys, the effect of Ni3Al oxidation below 850 C on fracture behavior, the oxidation of FeAl + Hf, Zr, and B, the synergistic effect of Al and Si on the oxidation resistance of Fe alloys, and pack cementation coatings of Cr-Al on Fe, Ni, and Co alloys. Also discussed are the formation of alumina on Nb- and Ti-base alloys, the oxidation behavior of titanium aluminide alloys, silicide coatings for refractory metals, the oxidation of chromium disilicide, and the oxidation behavior of nickel beryllides.

First principle study on generalized-stacking-fault energy surfaces of B2-AlRE intermetallic compounds

NASA Astrophysics Data System (ADS)

Li, Shaorong; Wang, Shaofeng; Wang, Rui

2011-12-01

First-principles calculations are used to predict the generalized-stacking-fault energy (GSFE) surfaces of AlRE intermetallics. The calculations employ the projector augmented-wave (PAW) method within the generalized gradient approximation (GGA) using the density functional theory (DFT). GSFE curves along <1 1 1> {1 1 0} direction, <1 1 0> {1 1 0} direction and <1 0 0> {1 1 0} direction have been calculated. The fitted GSFE surfaces have been obtained from the Fourier series based on the translational symmetry. In order to illuminate the reasonable of our computational accuracy, we have compared our theoretical results of B2 intermetallics YCu with the previous calculated results. The unstable-stacking-fault energy (γus) on the {1 1 0} plane has the laws of AlPr, <1 1 0> and <1 1 1> directions. For the antiphase boundary (APB) energy, that of AlSc is the lowest in the calculated AlRE intermetallics. So the superdislocation with the Burgers vector along <1 1 1> direction of AlSc will easily split into two superpartials.

Perpendicular Growth Characteristics of Cu-Sn Intermetallic Compounds at the Surface of 99Sn-1Cu/Cu Solder Interconnects

NASA Astrophysics Data System (ADS)

Chen, Zhiwen; Liu, Changqing; Wu, Yiping; An, Bing

2015-12-01

The growth of intermetallic compounds (IMCs) on the free surface of 99Sn-1Cu solder joints perpendicular to the interdiffusion direction has been investigated in this work. The specimens were specifically designed and polished to reveal a flat free surface at the solder/Cu interface for investigation. After aging at 175°C for progressively increased durations, the height of the perpendicular IMCs was examined and found to follow a parabolic law with aging duration that could be expressed as y = 0.11√ t, where t is the aging duration in hours and y is the height of the perpendicular IMCs in μm. For comparison, the planar growth of IMCs along the interdiffusion direction was also investigated in 99Sn-1Cu/Cu solder joints. After prolonged aging at 175°C, the thickness of the planar interfacial IMC layers also increased parabolically with aging duration and could be expressed as h_{{IMC}} = 0.27√ t + 4.6, where h is the thickness in μm and t is the time in hours. It was found that both the planar and perpendicular growth of the IMCs were diffusion-controlled processes, but the perpendicular growth of the IMCs was much slower than their planar growth due to the longer diffusion distance. It is proposed that Cu3Sn forms prior to the formation of Cu6Sn5 in the perpendicular IMCs, being the reverse order compared with the planar IMC growth.

The Effects of Grain Refinement and Rare Earth Intermetallics on Mechanical Properties of As-Cast and Wrought Magnesium Alloys

NASA Astrophysics Data System (ADS)

Pourbahari, Bita; Mirzadeh, Hamed; Emamy, Massoud

2018-03-01

The effects of rare earth intermetallics and grain refinement by alloying and hot extrusion on the mechanical properties of Mg-Gd-Al-Zn alloys have been studied to elucidate some useful ways to enhance the mechanical properties of magnesium alloys. It was revealed that aluminum as an alloying element is a much better grain refining agent compared with gadolinium, but the simultaneous presence of Al and Gd can refine the as-cast grain size more efficiently. The presence of fine and widely dispersed rare earth intermetallics was found to be favorable to achieve finer recrystallized grains during hot deformation by extrusion. The presence of coarse dendritic structure in the GZ61 alloy, grain boundary eutectic containing Mg17Al12 phase in the AZ61 alloy, and rare earth intermetallics with unfavorable morphology in the Mg-4Gd-2Al-1Zn alloy was found to be detrimental to mechanical properties of the alloy in the as-cast condition. As a result, the microstructural refinement induced by hot extrusion process resulted in a significant enhancement in strength and ductility of the alloys. The presence of intermetallic compounds in the extruded Mg-4Gd-2Al-1Zn and Mg-2Gd-4Al-1Zn alloys deteriorated tensile properties, which was related to the fact that such intermetallic compounds act as stress risers and microvoid initiation sites.

Influence of Al grain boundaries segregations and La-doping on embrittlement of intermetallic NiAl

NASA Astrophysics Data System (ADS)

Kovalev, Anatoly I.; Wainstein, Dmitry L.; Rashkovskiy, Alexander Yu.

2015-11-01

The microscopic nature of intergranular fracture of NiAl was experimentally investigated by the set of electron spectroscopy techniques. The paper demonstrates that embrittlement of NiAl intermetallic compound is caused by ordering of atomic structure that leads to formation of structural aluminum segregations at grain boundaries (GB). Such segregations contain high number of brittle covalent interatomic bonds. The alloying by La increases the ductility of material avoiding Al GB enrichment and disordering GB atomic structure. The influence of La alloying on NiAl mechanical properties was investigated. GB chemical composition, atomic and electronic structure transformations after La doping were investigated by AES, XPS and EELFS techniques. To qualify the interatomic bonds metallicity the Fermi level (EF) position and electrons density (neff) in conduction band were determined in both undoped and doped NiAl. Basing on experimental results the physical model of GB brittleness formation was proposed.

Microstructures and mechanical properties of nanocrystalline NiTi intermetallics formed by mechanosynthesis

NASA Astrophysics Data System (ADS)

Arunkumar, S.; Kumaravel, P.; Velmurugan, C.; Senthilkumar, V.

2018-01-01

The formulation of nanocrystalline NiTi shape memory alloys has potential effects in mechanical stimulation and medical implantology. The present work elucidates the effect of milling time on the product's structural characteristics, chemical composition, and microhardness for NiTi synthesized by mechanical alloying for different milling durations. Increasing the milling duration led to the formation of a nanocrystalline NiTi intermetallic at a higher level. The formation of nanocrystalline materials was directed through cold fusion, fracturing, and the development of a steady state, which were influenced by the accumulation of strain energy. In the morphological study, uninterrupted cold diffusion and fracturing were visualized using transmission electron microscopy. Particle size analysis revealed that the mean particle size was reduced to 93 μm after 20 h of milling. The mechanical strength was enhanced by the formation of a nanocrystalline intermetallic phase at longer milling time, which was confirmed by the results of Vickers hardness analyses.

Intermetallic layers in temperature controlled Friction Stir Welding of dissimilar Al-Cu-joints

NASA Astrophysics Data System (ADS)

Marstatt, R.; Krutzlinger, M.; Luderschmid, J.; Constanzi, G.; Mueller, J. F. J.; Haider, F.; Zaeh, M. F.

2018-06-01

Friction Stir Welding (FSW) can be performed to join dissimilar metal combinations like aluminium and copper, which is of high interest in modern production of electrical applications. The amount of intermetallic phases in the weld seam is significantly reduced compared to traditional fusion welding technologies. Because the solidus temperature is typically not reached during FSW, the growth of intermetallic phases is impeded and the intermetallic layer thicknesses typically remains on the scale of a few hundred nanometres. These layers provide a substance-to-substance bond, which is the main joining mechanism. Latest research confirms that the layer formation is most likely driven by the heat input during processing. Hence, the welding temperature is the key to achieve high quality joints. In this study, aluminium and copper sheets were welded in lap joint configuration using temperature-controlled FSW. An advanced in-tool measurement set-up was used to determine precise temperature data. Scanning electron microscopy (SEM) was used to analyse metallurgical aspects (e.g. structure and composition of the intermetallic phases) of the joints. The results show a correlation between the welding temperature and the thickness of the intermetallic layer and its structure. The temperature control significantly improved the correlation compared to previous studies. This leads to an enhanced understanding of the dominating joining mechanisms.

Microstructure and Tribological Properties of Mo–40Ni–13Si Multiphase Intermetallic Alloy

PubMed Central

Song, Chunyan; Wang, Shuhuan; Gui, Yongliang; Cheng, Zihao; Ni, Guolong

2016-01-01

Intermetallic compounds are increasingly being expected to be utilized in tribological environments, but to date their implementation is hindered by insufficient ductility at low and medium temperatures. This paper presents a novel multiphase intermetallic alloy with the chemical composition of Mo–40Ni–13Si (at %). Microstructure characterization reveals that a certain amount of ductile Mo phases formed during the solidification process of a ternary Mo–Ni–Si molten alloy, which is beneficial to the improvement of ductility of intermetallic alloys. Tribological properties of the designed alloy—including wear resistance, friction coefficient, and metallic tribological compatibility—were evaluated under dry sliding wear test conditions at room temperature. Results suggest that the multiphase alloy possesses an excellent tribological property, which is attributed to unique microstructural features and thereby a good combination in hardness and ductility. The corresponding wear mechanism is explained by observing the worn surface, subsurface, and wear debris of the alloy, which was found to be soft abrasive wear. PMID:28774106

Microstructure and Tribological Properties of Mo-40Ni-13Si Multiphase Intermetallic Alloy.

PubMed

Song, Chunyan; Wang, Shuhuan; Gui, Yongliang; Cheng, Zihao; Ni, Guolong

2016-12-06

Intermetallic compounds are increasingly being expected to be utilized in tribological environments, but to date their implementation is hindered by insufficient ductility at low and medium temperatures. This paper presents a novel multiphase intermetallic alloy with the chemical composition of Mo-40Ni-13Si (at %). Microstructure characterization reveals that a certain amount of ductile Mo phases formed during the solidification process of a ternary Mo-Ni-Si molten alloy, which is beneficial to the improvement of ductility of intermetallic alloys. Tribological properties of the designed alloy-including wear resistance, friction coefficient, and metallic tribological compatibility-were evaluated under dry sliding wear test conditions at room temperature. Results suggest that the multiphase alloy possesses an excellent tribological property, which is attributed to unique microstructural features and thereby a good combination in hardness and ductility. The corresponding wear mechanism is explained by observing the worn surface, subsurface, and wear debris of the alloy, which was found to be soft abrasive wear.

First-principles study of Al2Sm intermetallic compound on structural, mechanical properties and electronic structure

NASA Astrophysics Data System (ADS)

Lin, Jingwu; Wang, Lei; Hu, Zhi; Li, Xiao; Yan, Hong

2017-02-01

The structural, thermodynamic, mechanical and electronic properties of cubic Al2Sm intermetallic compound are investigated by the first-principles method on the basis of density functional theory. In light of the strong on-site Coulomb repulsion between the highly localized 4f electrons of Sm atoms, the local spin density approximation approach paired with additional Hubbard terms is employed to achieve appropriate results. Moreover, to examine the reliability of this study, the experimental value of lattice parameter is procured from the analysis of the TEM image and diffraction pattern of Al2Sm phase in the AZ31 alloy to verify the authenticity of the results originated from the computational method. The value of cohesive energy reveals Al2Sm to be a stable in absolute zero Kelvin. According to the stability criteria, the subject of this work is mechanically stable. Afterward, elastic moduli are deduced by performing Voigt-Reuss-Hill approximation. Furthermore, elastic anisotropy and anisotropy of sound velocity are discussed. Finally, the calculation of electronic density of states is implemented to explore the underlying mechanism of structural stability.

The evolution of γ-Mg17Al12 intermetallic compound during accumulative back extrusion and subsequent ageing treatment

NASA Astrophysics Data System (ADS)

Maghsoudi, M. H.; Zarei-Hanzaki, A.; Abedi, H. R.; Shamsolhodaei, A.

2015-11-01

Accumulative back extrusion (ABE) processing, as a novel severe plastic deformation (SPD) method, has been recently justified to be capable of modifying the microstructural characteristics of alloys. In line to its ongoing researches, the present work has been planned to study the evolution of γ-Mg17Al12 intermetallic phase during ABE and subsequent ageing treatment in a high Al-bearing Mg-Al-Zn alloy. The behaviour of γ intermetallic has been systematically examined as following points of view: (i) strain-temperature-dependent morphology changes, (ii) strain-induced dissolution, and (iii) re-ageing behaviour as a function of time and temperature. Aiming to analyse the morphology of eutectic γ compound with respect to the strain and temperature, 2D projections of effective diameter, shape factor and globularity have been made in strain/temperature graphs. The processing conditions (strain and temperature) corresponding to the desired and undesired morphologies are introduced and microstructurally explained through underlying plasticity mechanisms, i.e., 'necking-thinning-particle separation' and 'brittle fragmentation.' The former mechanism is suggested to be in relation with partial strain-induced dissolution of eutectic γ phase, leading to generation of a supersaturated solid solution. This has resulted to the observation of 'off-stoichiometry' phenomena in Mg17Al12 phase and has been justified through dislocation-assisted deformation mechanism at elevated temperature. Surprisingly, a unique re-ageing behaviour has been found for the obtained solid solutions, where a modified kinetics and morphology of γ phase precipitation were characterized. The altered precipitation behaviour is attributed to the specific defect structure achieved by SPD acting as fast diffusion channel for Al solutes.

Investigation on thixojoining to produce hybrid components with intermetallic phase

NASA Astrophysics Data System (ADS)

Seyboldt, Christoph; Liewald, Mathias

2018-05-01

Current research activities at the Institute for Metal Forming Technology of the University of Stuttgart are focusing on the manufacturing of hybrid components using semi-solid forming strategies. One process investigated is the joining of different materials in the semi-solid state and is so called "thixojoining". In this process, metallic inlays are inserted into the semi-solid forming die before the actual forming process and are then joined with a material which was heated up to its semi-solid state. Earlier investigations have shown that using this process a very well-shaped form closure can be produced. Furthermore, it was found that sometimes intermetallic phases are built between the different materials, which decisively influence the part properties of such hybrid components for its future application. Within the framework presented in this paper, inlays made of aluminum, brass and steel were joined with aluminum in the semi-solid state. The aim of the investigations was to create an intermetallic bond between the different materials. For this investigations the liquid phase fraction of the aluminum and the temperature of the inlay were varied in order to determine the influence on the formation of the intermetallic phase. Forming trials were performed using a semi-solid forming die with a disk shaped design. Furthermore, the intermetallic phase built was investigated using microsections.

Intermetallic Growth and Interfacial Properties of the Grain Refiners in Al Alloys.

PubMed

Li, Chunmei; Cheng, Nanpu; Chen, Zhiqian; Xie, Zhongjing; Hui, Liangliang

2018-04-20

Al₃TM(TM = Ti, Zr, Hf, Sc) particles acting as effective grain refiners for Al alloys have been receiving extensive attention these days. In order to judge their nucleation behaviors, first-principles calculations are used to investigate their intermetallic and interfacial properties. Based on energy analysis, Al₃Zr and Al₃Sc are more suitable for use as grain refiners than the other two intermetallic compounds. Interfacial properties show that Al/Al₃TM(TM = Ti, Zr, Hf, Sc) interfaces in I-ter interfacial mode exhibit better interface wetting effects due to larger Griffith rupture work and a smaller interface energy. Among these, Al/Al₃Sc achieves the lowest interfacial energy, which shows that Sc atoms should get priority for occupying interfacial sites. Additionally, Sc-doped Al/Al₃(Zr, Sc) interfacial properties show that Sc can effectively improve the Al/Al₃(Zr, Sc) binding strength with the Al matrix. By combining the characteristics of interfaces with the properties of intermetallics, the core-shell structure with Al₃Zr-core or Al₃Zr(Sc1-1)-core encircled with an Sc-rich shell forms.

Surface integrity on grinding of gamma titanium aluminide intermetallic compounds

NASA Astrophysics Data System (ADS)

Murtagian, Gregorio Roberto

Gamma-TiAl is an ordered intermetallic compound characterized by high strength to density ratio, good oxidation resistance, and good creep properties at elevated temperatures. However, it is intrinsically brittle at room temperature. This thesis investigates the potential for the use of grinding to process TiAl into useful shapes. Grinding is far from completely understood, and many aspects of the individual mechanical interactions of the abrasive grit with the material and their effect on surface integrity are unknown. The development of new synthetic diamond superabrasives in which shape and size can be controlled raises the question of the influence of those variables on the surface integrity. The goal of this work is to better understand the fundamentals of the abrasive grit/material interaction in grinding operations. Experimental, analytical, and numerical work was done to characterize and predict the resultant deformation and surface integrity on ground lamellar gamma-TiAl. Grinding tests were carried out, by analyzing the effects of grit size and shape, workpiece speed, wheel depth of cut, and wear on the subsurface plastic deformation depth (PDD). A practical method to assess the PDD is introduced based on the measurement of the lateral material flow by 3D non-contact surface profilometry. This method combines the quantitative capabilities of the microhardness measurement with the sensitivity of Nomarski microscopy. The scope and limitations of this technique are analyzed. Mechanical properties were obtained by quasi-static and split Hopkinson bar compression tests. Residual stress plots were obtained by x-ray, and surface roughness and cracking were evaluated. The abrasive grit/material interaction was accounted by modeling the force per abrasive grit for different grinding conditions, and studying its correlation to the PDD. Numerical models of this interaction were used to analyze boundary conditions, and abrasive size effects on the PDD. An explicit 2D

Method of making sintered ductile intermetallic-bonded ceramic composites

DOEpatents

Plucknett, Kevin; Tiegs, Terry N.; Becher, Paul F.

1999-01-01

A method of making an intermetallic-bonded ceramic composite involves combining a particulate brittle intermetallic precursor with a particulate reactant metal and a particulate ceramic to form a mixture and heating the mixture in a non-oxidizing atmosphere at a sufficient temperature and for a sufficient time to react the brittle intermetallic precursor and the reactant metal to form a ductile intermetallic and sinter the mixture to form a ductile intermetallic-bonded ceramic composite.

Intermetallics as innovative CRM-free materials

NASA Astrophysics Data System (ADS)

Novák, Pavel; Jaworska, Lucyna; Cabibbo, Marcello

2018-03-01

Many of currently used technical materials cannot be imagined without the use of critical raw materials. They require chromium (e.g. in stainless and tool steels), tungsten and cobalt (tool materials, heat resistant alloys), niobium (steels and modern biomaterials). Therefore there is a need to find substitutes to help the European economy. A promising solution can be the application of intermetallics. These materials offer wide variety of interesting properties, such as high hardness and wear resistance or high chemical resistance. In this paper, the overview of possible substitute materials among intermetallics is presented. Intermetallics based on aluminides and silicides are shown as corrosion resistant materials, composites composed of ceramics in intermetallic matrix as possible tool materials. The manufacturing processes are being developed to minimize the disadvantages of these materials, mainly the room-temperature brittleness.

Method of making sintered ductile intermetallic-bonded ceramic composites

DOEpatents

Plucknett, K.; Tiegs, T.N.; Becher, P.F.

1999-05-18

A method of making an intermetallic-bonded ceramic composite involves combining a particulate brittle intermetallic precursor with a particulate reactant metal and a particulate ceramic to form a mixture and heating the mixture in a non-oxidizing atmosphere at a sufficient temperature and for a sufficient time to react the brittle intermetallic precursor and the reactant metal to form a ductile intermetallic and sinter the mixture to form a ductile intermetallic-bonded ceramic composite. 2 figs.

The development of Nb-based advanced intermetallic alloys for structural applications

NASA Astrophysics Data System (ADS)

Subramanian, P. R.; Mendiratta, M. G.; Dimiduk, D. M.

1996-01-01

A new generation of refractory material systems with significant increases in temperature capability is required to meet the demands of future aerospace applications. Such materials require a balance of properties such as low-temperature damage tolerance, high-temperature strength, creep resistance, and superior environmental stability for implementation in advanced aerospace systems. Systems incorporating niobium-based beta alloys and intermetallic compounds have the potential for meeting these requirements.

Intermetallic Growth and Interfacial Properties of the Grain Refiners in Al Alloys

PubMed Central

Li, Chunmei; Cheng, Nanpu; Chen, Zhiqian; Xie, Zhongjing; Hui, Liangliang

2018-01-01

Al3TM(TM = Ti, Zr, Hf, Sc) particles acting as effective grain refiners for Al alloys have been receiving extensive attention these days. In order to judge their nucleation behaviors, first-principles calculations are used to investigate their intermetallic and interfacial properties. Based on energy analysis, Al3Zr and Al3Sc are more suitable for use as grain refiners than the other two intermetallic compounds. Interfacial properties show that Al/Al3TM(TM = Ti, Zr, Hf, Sc) interfaces in I-ter interfacial mode exhibit better interface wetting effects due to larger Griffith rupture work and a smaller interface energy. Among these, Al/Al3Sc achieves the lowest interfacial energy, which shows that Sc atoms should get priority for occupying interfacial sites. Additionally, Sc-doped Al/Al3(Zr, Sc) interfacial properties show that Sc can effectively improve the Al/Al3(Zr, Sc) binding strength with the Al matrix. By combining the characteristics of interfaces with the properties of intermetallics, the core-shell structure with Al3Zr-core or Al3Zr(Sc1-1)-core encircled with an Sc-rich shell forms. PMID:29677155

Strain rate dependence in the nanoindentation-induced deformation of Mg-Al intermetallic compounds produced by packed powder diffusion coating

NASA Astrophysics Data System (ADS)

Chang, Haiwei; Lu, Mingyuan; Zhang, Mingxing; Atrens, Andrej; Huang, Han

2015-09-01

Nanoindentation was performed on τ-Mg32(Al, Zn)49 and β-Mg17Al12 intermetallic coatings and on a AZ91E Mg alloy substrate using loading rates of 0.03 to 30 mNs-1. Pop-in phenomenon was observed during loading in the two intermetallic coatings and in the substrate. Both the magnitude of the pop-ins and the time interval between two consecutive pop-ins increased with increasing loads. The phenomenon was attributed to plastic instability, which is known as the Portevin-Le Châtelier effect. The morphologies of the indent impressions at different strain rates on the t phase, the β phase and the substrate were also investigated using atomic force microscopy. Pile-up occurred in the τ and β phases and was found independent of the strain rate; no obvious pile-up occurred on the AZ91E substrate. The AZ91E substrate exhibited creep rates greater than those of the intermetallic phases, and all of the creep rates increased with the loading rate.

An intermetallic forming steel under radiation for nuclear applications

NASA Astrophysics Data System (ADS)

Hofer, C.; Stergar, E.; Maloy, S. A.; Wang, Y. Q.; Hosemann, P.

2015-03-01

In this work we investigated the formation and stability of intermetallics formed in a maraging steel PH 13-8 Mo under proton radiation up to 2 dpa utilizing nanoindentation, microcompression testing and atom probe tomography. A comprehensive discussion analyzing the findings utilizing rate theory is introduced, comparing the aging process to radiation induced diffusion. New findings of radiation induced segregation of undersize solute atoms (Si) towards the precipitates are considered.

A ship-in-a-bottle strategy to synthesize encapsulated intermetallic nanoparticle catalysts: Exemplified for furfural hydrogenation

DOE PAGES

Maligal-Ganesh, Raghu V.; Xiao, Chaoxian; Goh, Tian Wei; ...

2016-01-28

In this paper, intermetallic compounds are garnering increasing attention as efficient catalysts for improved selectivity in chemical processes. Here, using a ship-in-a-bottle strategy, we synthesize single-phase platinum-based intermetallic nanoparticles (NPs) protected by a mesoporous silica (mSiO 2) shell by heterogeneous reduction and nucleation of Sn, Pb, or Zn in mSiO 2-encapsulated Pt NPs. For selective hydrogenation of furfural to furfuryl alcohol, a dramatic increase in activity and selectivity is observed when intermetallic NPs catalysts are used in comparison to Pt@mSiO 2. Among the intermetallic NPs, PtSn@mSiO 2 exhibits the best performance, requiring only one-tenth of the quantity of Pt usedmore » in Pt@mSiO 2 for similar activity and near 100% selectivity to furfuryl alcohol. A high-temperature oxidation–reduction treatment easily reverses any carbon deposition-induced catalyst deactivation. X-ray photoelectron spectroscopy shows the importance of surface composition to the activity, whereas density functional theory calculations reveal that the enhanced selectivity on PtSn compared to Pt is due to the different furfural adsorption configurations on the two surfaces.« less

A Self-Propagating Foaming Process of Porous Al-Ni Intermetallics Assisted by Combustion Reactions

PubMed Central

Kobashi, Makoto; Kanetake, Naoyuki

2009-01-01

The self-propagating foaming process of porous Al-Ni intermetallics was investigated. Aluminum and nickel powders were blended, and titanium and boron carbide powders were added as reactive exothermic agents. The blended powder was extruded to make a rod-shape precursor. Only one end of the rod precursor was heated to ignite the reaction. The reaction propagated spontaneously throughout the precursor. Pore formation took place at the same time as the reaction occurred. Adding the exothermic agent was effective to increase the porosity. Preheating the precursor before the ignition was also very effective to produce porous Al-Ni intermetallics with high porosity.

Structural plasticity: how intermetallics deform themselves in response to chemical pressure, and the complex structures that result.

PubMed

Berns, Veronica M; Fredrickson, Daniel C

2014-10-06

Interfaces between periodic domains play a crucial role in the properties of metallic materials, as is vividly illustrated by the way in which the familiar malleability of many metals arises from the formation and migration of dislocations. In complex intermetallics, such interfaces can occur as an integral part of the ground-state crystal structure, rather than as defects, resulting in such marvels as the NaCd2 structure (whose giant cubic unit cell contains more than 1000 atoms). However, the sources of the periodic interfaces in intermetallics remain mysterious, unlike the dislocations in simple metals, which can be associated with the exertion of physical stresses. In this Article, we propose and explore the concept of structural plasticity, the hypothesis that interfaces in complex intermetallic structures similarly result from stresses, but ones that are inherent in a defect-free parent structure, rather than being externally applied. Using DFT-chemical pressure analysis, we show how the complex structures of Ca2Ag7 (Yb2Ag7 type), Ca14Cd51 (Gd14Ag51 type), and the 1/1 Tsai-type quasicrystal approximant CaCd6 (YCd6 type) can all be traced to large negative pressures around the Ca atoms of a common progenitor structure, the CaCu5 type with its simple hexagonal 6-atom unit cell. Two structural paths are found by which the compounds provide relief to the Ca atoms' negative pressures: a Ca-rich pathway, where lower coordination numbers are achieved through defects eliminating transition metal (TM) atoms from the structure; and a TM-rich path, along which the addition of spacer Cd atoms provides the Ca coordination environments greater independence from each other as they contract. The common origins of these structures in the presence of stresses within a single parent structure highlights the diverse paths by which intermetallics can cope with competing interactions, and the role that structural plasticity may play in navigating this diversity.

Formation of Intermetallic Phases in Al-Sc Alloys Prepared by Molten Salt Electrolysis at Elevated Temperatures

NASA Astrophysics Data System (ADS)

Wang, Zengjie; Guan, Chunyang; Liu, Qiaochu; Xue, Jilai

Molten salts electrolysis method to prepare Al-RE alloys has attracted increasing attention recently. CaCl2 and Na3AlF6 were the most often used melts for this purpose. In this work, Al-Sc alloys prepared by electrolytic deposition process in both CaCl2 and Na3AlF6 melts were investigated, respectively. It was found that Sc distributes almost uniformly and Sc contents increase with increasing current intensity in both melts. Current efficiency was measured for comparison among various current densities applied. The alloy products were analyzed using XRD and SEM, where the formation behaviors of Al-Sc intermetallics were investigated in details. The experimental and theoretical results demonstrate that Al3Sc and Al0.968Sc0.032 are the major precipitates in the Al-Sc alloys prepared by molten electrolysis. The results are useful for selection and optimization of the molten salts compositions and the parameters of electrolysis operation.

An Investigation of the Microstructure of an Intermetallic Layer in Welding Aluminum Alloys to Steel by MIG Process

PubMed Central

Nguyen, Quoc Manh; Huang, Shyh-Chour

2015-01-01

Butt joints of A5052 aluminum alloy and SS400 steel, with a new type of chamfered edge, are welded by means of metal inert gas welding and ER4043 Al-Si filler metal. The microhardness and microstructure of the joint are investigated. An intermetallic layer is found on the surface of the welding seam and SS400 steel sheet. The hardness of the intermetallic layer is examined using the Vickers hardness test. The average hardness values at the Intermetallic (IMC) layer zone and without the IMC layer zone were higher than that of the welding wire ER4043. The tensile strength test showed a fracture at the intermetallic layer when the tensile strength is 225.9 MPa. The tensile value test indicated the average of welds was equivalent to the 85% tensile strength of the A5052 aluminum alloy. The thickness of the intermetallic layers is non-uniform at different positions with the ranges from 1.95 to 5 μm. The quality of the butt joint is better if the intermetallic layer is minimized. The Si crystals which appeared at the welding seam, indicating that this element participated actively during the welding process, also contributed to the IMC layer’s formation. PMID:28793708

An Investigation of the Microstructure of an Intermetallic Layer in Welding Aluminum Alloys to Steel by MIG Process.

PubMed

Nguyen, Quoc Manh; Huang, Shyh-Chour

2015-12-02

Butt joints of A5052 aluminum alloy and SS400 steel, with a new type of chamfered edge, are welded by means of metal inert gas welding and ER4043 Al-Si filler metal. The microhardness and microstructure of the joint are investigated. An intermetallic layer is found on the surface of the welding seam and SS400 steel sheet. The hardness of the intermetallic layer is examined using the Vickers hardness test. The average hardness values at the Intermetallic (IMC) layer zone and without the IMC layer zone were higher than that of the welding wire ER4043. The tensile strength test showed a fracture at the intermetallic layer when the tensile strength is 225.9 MPa. The tensile value test indicated the average of welds was equivalent to the 85% tensile strength of the A5052 aluminum alloy. The thickness of the intermetallic layers is non-uniform at different positions with the ranges from 1.95 to 5 μm. The quality of the butt joint is better if the intermetallic layer is minimized. The Si crystals which appeared at the welding seam, indicating that this element participated actively during the welding process, also contributed to the IMC layer's formation.

The effect of pH on the corrosion behavior of intermetallic compounds Ni{sub 3}(Si,Ti) and Ni{sub 3}(Si,Ti) + 2Mo in sodium chloride solutions

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

Priyotomo, Gadang, E-mail: gada001@lipi.go.id; Nuraini, Lutviasari, E-mail: Lutviasari@gmail.com; Kaneno, Yasuyuki, E-mail: kaneno@mtr.osakafu-u.ac.id

The corrosion behavior of the intermetallic compounds, Ni{sub 3}(Si,Ti) (L1{sub 2}: single phase) and Ni{sub 3}(Si,Ti) + 2Mo (L1{sub 2} and (L12 + Ni{sub ss}) mixture region), has been investigated using an immersion test, electrochemical method and surface analytical method (SEM; scanning electron microscope and EDAX: Energy Dispersive X-ray) in 0.5 kmol/m{sup 3} NaCl solutions at various pH. The corrosion behavior of nickel alloy C-276 was studied under the same experimental conditions as a reference. It was found that the uniform attack was observed on Ni{sub 3}(Si,Ti) for the immersion test at lower pH, while the pitting attack was observedmore » on this compound for this test at neutral solution. Furthermore, Ni{sub 3}(Si,Ti)+2Mo had the preferential dissolution of L1{sub 2} compared to (L1{sub 2} + Ni{sub ss}) mixture region at lower pH, while pitting attack occurred in (L1{sub 2} + Ni{sub ss}) mixture region at neutral solution. For both intermetallic compounds, the magnitude of pitting and uniform attack decrease with increasing pH of solutions. From the immersion test and polarization curves, the corrosion resistance of Ni{sub 3}(Si,Ti)+2Mo is lower than that of Ni{sub 3}(Si,Ti), while the nickel alloy C-276 is the highest one at various pH of solutions. On the other hand, in the lower pH of solutions, the corrosion resistance of tested materials decreased significantly compared to those in neutral and higher pH of solutions.« less

The growth of intermetallic compounds at Sn-Ag-Cu solder/Cu and Sn-Ag-Cu solder/Ni interfaces and the associated evolution of the solder microstructure

NASA Astrophysics Data System (ADS)

Zribi, A.; Clark, A.; Zavalij, L.; Borgesen, P.; Cotts, E. J.

2001-09-01

The evolution of intermetallics at and near SnAgCu/Cu and SnAgCu/Ni interfaces was examined, and compared to the behavior, near PbSn/metal and Sn/metal interfaces. Two different solder compositions were considered, Sn93.6Ag4.7Cu1.7 and Sn95.5Ag3.5Cu1.0 (Sn91.8Ag5.1 Cu3.1 and Sn94.35Ag3.8Cu1.85 in atomic percent). In both cases, phase formation and growth at interfaces with Cu were very similar to those commonly observed for eutectic SnPb solder. However, the evolution of intermetallics at SnAgCu/Ni interfaces proved much more complex. The presence of the Cu in the solder dramatically altered the phase selectivity at the solder/Ni interface and affected the growth kinetics of intermetallics. As long as sufficient Cu was available, it would combine with Ni and Sn to form (Cu,Ni)6)Sn5 which grew instead of the Ni3Sn4 usually observed in PbSn/Ni and Sn/Ni diffusion couples. This growing phase would, however, eventually consume essentially all of the available Cu in the solder. Because the mechanical properties of Sn-Ag-Cu alloys, depend upon the Cu content, this consumption can be expected to alter the mechanical properties of these Pb-free solderjoints. After depletion of the Cu from the solder, further annealing then gradually transformed the (Cu,Ni)6Sn5 phase into a (Ni,Cu)3Sn4 phase.

Crystal structure and low-energy Einstein mode in ErV{sub 2}Al{sub 20} intermetallic cage compound

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

Winiarski, Michał J., E-mail: mwiniarski@mif.pg.gda.pl; Klimczuk, Tomasz

Single crystals of a new ternary aluminide ErV{sub 2}Al{sub 20} were grown using a self-flux method. The crystal structure was determined by powder X-ray diffraction measurements and Rietveld refinement, and physical properties were studied by means of electrical resistivity, magnetic susceptibility and specific heat measurements. These measurements reveal that ErV{sub 2}Al{sub 20} is a Curie-Weiss paramagnet down to 1.95 K with an effective magnetic moment μ{sub eff} =9.27(1) μ{sub B} and Curie-Weiss temperature Θ{sub CW} =−0.55(4) K. The heat capacity measurements show a broad anomaly at low temperatures that is attributed to the presence of a low-energy Einstein mode withmore » characteristic temperature Θ{sub E} =44 K, approximately twice as high as in the isostructural ‘Einstein solid’ VAl{sub 10.1}. - Graphical abstract: A low-energy Einstein mode is observed in a novel intermetallic cage compound ErV{sub 2}Al{sub 20} by specific heat and resistivity measurements. - Highlights: • Single crystals of a new compound ErV{sub 2}Al{sub 20} were grown by self-flux method. • Crystal structure is reported, based on powder x-ray diffraction. • ErV{sub 2}Al{sub 20} is a Curie-Weiss paramagnet. • Low-energy ‘rattling’ phonon mode (Θ{sub E}=44 K) is found in specific heat measurements.« less

Chemical route for formation of intermetallic Zn 4Sb 3 phase

NASA Astrophysics Data System (ADS)

Denoix, A.; Solaiappan, A.; Ayral, R. M.; Rouessac, F.; Tedenac, J. C.

2010-05-01

Synthesis of intermetallic zinc antimonide phases via low temperature solution route was investigated. Trial experiments were carried out under inert atmosphere at 70 °C using metallic Zn, SbCl 3 and NaBH 4 as reactants and tetrahydrofuran (THF), dimethylsulfoxide (DMSO) as organic media. Powder X-ray analysis confirmed the nucleation and growth of ZnSb phases in presence of excess Zn. SEM analysis revealed the existence of core-shell structure comprising of Zn core and Sb shell. Such particles get transformed into Zn 4Sb 3 crystalline phases upon thermal treatment at 300 °C/6 h in a silica tube closed under high secondary vacuum.

The Solidification Behavior of AA2618 Aluminum Alloy and the Influence of Cooling Rate

PubMed Central

Liu, Yulin; Liu, Ming; Luo, Lei; Wang, Jijie; Liu, Chunzhong

2014-01-01

In AA2618 aluminum alloy, the iron- and nickel-rich intermetallics formed during solidification are of great effect on the mechanical properties of the alloy at both room temperature and elevated temperatures. However, the solidification behavior of the alloy and the formation mechanism of the intermetallics during solidification of the alloy are not clear. This research fills the gap and contributes to understanding the intermetallic of the alloy. The results showed that cooling rate was of great influence on the formation of the intermetallics. Under the condition of slow cooling, the as-cast microstructures of the alloy were complex with many coarse eutectic compounds including Al9FeNi, Al7(CuNi)5, Si, Al2Cu and Al2CuMg. The phase Al9FeNi was the dominant intermetallic compound, which precipitated at the earlier stage of the solidification by eutectic reaction L → α-Al + Al9FeNi. Increasing the cooling rate would suppress the formation of the coarse eutectic intermetallics. Under the condition of near-rapid cooling, the as-cast microstructures of the alloy consisted of metastable intermetallics Al9FeNi and Al2Cu; the equilibrium eutectic compounds were suppressed. This research concluded that intermetallics could be refined to a great extent by near-rapid cooling. PMID:28788281

N-nitrosodimethylamine (NDMA) formation from the ozonation of model compounds.

PubMed

Marti, Erica J; Pisarenko, Aleksey N; Peller, Julie R; Dickenson, Eric R V

2015-04-01

Nitrosamines are a class of toxic disinfection byproducts commonly associated with chloramination, of which several were included on the most recent U.S. EPA Contaminant Candidate List. Nitrosamine formation may be a significant barrier to ozonation in water reuse applications, particularly for direct or indirect potable reuse, since recent studies show direct formation during ozonation of natural water and treated wastewaters. Only a few studies have identified precursors which react with ozone to form N-nitrosodimethylamine (NDMA). In this study, several precursor compound solutions, prepared in ultrapure water and treated wastewater, were subjected to a 10 M excess of ozone. In parallel experiments, the precursor solutions in ultrapure water were exposed to gamma radiation to determine NDMA formation as a byproduct of reactions of precursor compounds with hydroxyl radicals. The results show six new NDMA precursor compounds that have not been previously reported in the literature, including compounds with hydrazone and carbamate moieties. Molar yields in deionized water were 61-78% for 3 precursors, 12-23% for 5 precursors and <4% for 2 precursors. Bromide concentration was important for three compounds (1,1-dimethylhydrazine, acetone dimethylhydrazone and dimethylsulfamide), but did not enhance NDMA formation for the other precursors. NDMA formation due to chloramination was minimal compared to formation due to ozonation, suggesting distinct groups of precursor compounds for these two oxidants. Hydroxyl radical reactions with the precursors will produce NDMA, but formation is much greater in the presence of molecular ozone. Also, hydroxyl radical scavenging during ozonation leads to increased NDMA formation. Molar conversion yields were higher for several precursors in wastewater as compared to deionized water, which could be due to catalyzed reactions with constituents found in wastewater or hydroxyl radical scavenging. Copyright © 2014 Elsevier Ltd. All

Mechanical Strength and Failure Characterization of Sn-Ag-Cu Intermetallic Compound Joints at the Microscale

NASA Astrophysics Data System (ADS)

Ladani, Leila; Razmi, Jafar

2012-03-01

Continuous miniaturization of microelectronic devices has led the industry to develop interconnects on the order of a few microns for advanced superhigh-density and three-dimensional integrated circuits (3D ICs). At this scale, interconnects that conventionally consist of solder material will completely transform to intermetallic compounds (IMCs) such as Cu6Sn5. IMCs are brittle, unlike conventional solder materials that are ductile in nature; therefore, IMCs do not experience large amounts of plasticity or creep before failure. IMCs have not been fully characterized, and their mechanical and thermomechanical reliability is questioned. This study presents experimental efforts to characterize such material. Sn-based microbonds are fabricated in a controlled environment to assure complete transformation of the bonds to Cu6Sn5 IMC. Microstructural analysis including scanning electron microscopy (SEM), energy-dispersive x-ray spectroscopy (EDS), and x-ray diffraction (XRD) is utilized to determine the IMC material composition and degree of copper diffusion into the bond area. Specimens are fabricated with different bond thicknesses and in different configurations for various tests. Normal strength of the bonds is measured utilizing double cantilever beam and peeling tests. Shear tests are conducted to quantify the shear strength of the material. Four-point bending tests are conducted to measure the fracture toughness and critical energy release rate. Bonds are fabricated in different sizes, and the size effect is investigated. The shear strength, normal strength, critical energy release rate, and effect of bond size on bond strength are reported.

Predicting the stability of ternary intermetallics with density functional theory and machine learning

NASA Astrophysics Data System (ADS)

Schmidt, Jonathan; Chen, Liming; Botti, Silvana; Marques, Miguel A. L.

2018-06-01

We use a combination of machine learning techniques and high-throughput density-functional theory calculations to explore ternary compounds with the AB2C2 composition. We chose the two most common intermetallic prototypes for this composition, namely, the tI10-CeAl2Ga2 and the tP10-FeMo2B2 structures. Our results suggest that there may be ˜10 times more stable compounds in these phases than previously known. These are mostly metallic and non-magnetic. While the use of machine learning reduces the overall calculation cost by around 75%, some limitations of its predictive power still exist, in particular, for compounds involving the second-row of the periodic table or magnetic elements.

Brushing up on the history of intermetallics in dentistry

NASA Astrophysics Data System (ADS)

Waterstrat, Richard M.

1990-03-01

Employing a silver-tin-mercury intermetallic to repair cavities may seem a little unusual, but intermetallics are quite common in dentistry, ranging from gold crowns to braces. Although the human mouth can be unfriendly territory for a brittle intermetallic alloy, dental amalgam has been around since 659 A.D., and its technology has been developed to the point where a filling can be expected to last 30 years or more.

Formation of interconnections between carbon nanotubes and copper using tin solder

NASA Astrophysics Data System (ADS)

Mittal, Jagjiwan; Lina, Kwang-Lung

2013-06-01

A process is developed for connecting Multiwalled carbon nanotubes (MWCNTs) between Cu terminals using tin solder. Connections were made on the Cu grid after heating the Sn coated nanotubes above the melting point of tin. High resolution transmission electron microscopy (HRTEM) micrographs demonstrated the joining by CNTs either as straight between two sides or on the one side after bending in the middle. The connections were found to be stable in air and electron beam under TEM observations. Energy dispersive X-ray (EDX) study showed that the formation of intermetallic compound η-C6Sn5 was responsible for the formation and stability of joints between Cu and MWCNT.

Titanium aluminide intermetallic alloys with improved wear resistance

DOEpatents

Qu, Jun; Lin, Hua-Tay; Blau, Peter J.; Sikka, Vinod K.

2014-07-08

The invention is directed to a method for producing a titanium aluminide intermetallic alloy composition having an improved wear resistance, the method comprising heating a titanium aluminide intermetallic alloy material in an oxygen-containing environment at a temperature and for a time sufficient to produce a top oxide layer and underlying oxygen-diffused layer, followed by removal of the top oxide layer such that the oxygen-diffused layer is exposed. The invention is also directed to the resulting oxygen-diffused titanium aluminide intermetallic alloy, as well as mechanical components or devices containing the improved alloy composition.

Effect of Intermetallic on Electromigration and Atomic Diffusion in Cu/SnAg3.0Cu0.5/Cu Joints: Experimental and First-Principles Study

NASA Astrophysics Data System (ADS)

Zhou, Wei; Liu, Lijuan; Li, Baoling; Wu, Ping

2009-06-01

Electromigration phenomena in a one-dimensional Cu/SnAg3.0Cu0.5/Cu joint were investigated with current stressing. The special effect of intermetallic compound (IMC) layers on the formation of serious electromigration damage induced by nonuniform current density distribution was discussed based on experimental results. Meanwhile, hillocks were observed both at the anode and near the cathode of the joint, and they were described as the result of diffusion of atoms and compressive stress released along grain boundaries to the relatively free surface. Moreover, the diffusion behavior of Cu at the cathode was analyzed with the electromigration equation, and the stability of Ag atoms in the solder during electromigration was evaluated with a first-principles method.

Compound formation and melting behavior in the AB compound and rare earth oxide systems

NASA Astrophysics Data System (ADS)

Huang, Z. K.; Yan, D. S.; Yen, T. S.; Tien, T. Y.

1990-03-01

Compound formation in the systems of the covalent compounds BeO, AlN, and SiC with R2O 3(rare earth oxides) is described. Tentative phase diagrams of the AlN sbnd Nd 2O 3 and AlN sbnd Eu 2O 3 systems are presented.

Computer simulations of disordering kinetics in irradiated intermetallic compounds

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

Spaczer, M.; Caro, A.; Victoria, M.

1994-11-01

Molecular-dynamics computer simulations of collision cascades in intermetallic Cu[sub 3]Au, Ni[sub 3]Al, and NiAl have been performed to study the nature of the disordering processes in the collision cascade. The choice of these systems was suggested by the quite accurate description of the thermodynamic properties obtained using embedded-atom-type potentials. Since melting occurs in the core of the cascades, interesting effects appear as a result of the superposition of the loss (and subsequent recovery) of the crystalline order and the evolution of the chemical order, both processes being developed on different time scales. In our previous simulations on Ni[sub 3]Al andmore » Cu[sub 3]Au [T. Diaz de la Rubia, A. Caro, and M. Spaczer, Phys. Rev. B 47, 11 483 (1993)] we found a significant difference between the time evolution of the chemical short-range order (SRO) and the crystalline order in the cascade core for both alloys, namely the complete loss of the crystalline structure but only partial chemical disordering. Recent computer simulations in NiAl show the same phenomena. To understand these features we study the liquid phase of these three alloys and present simulation results concerning the dynamical melting of small samples, examining the atomic mobility, the relaxation time, and the saturation value of the chemical short-range order. An analytic model for the time evolution of the SRO is given.« less

A diffraction based study of the deformation mechanisms in anomalously ductile B2 intermetallics

NASA Astrophysics Data System (ADS)

Mulay, Rupalee Prashant

For many decades, the brittle nature of most intermetallic compounds (e.g. NiAl) has been the limiting factor in their practical application. Many B2 (CsCl prototypical structure) intermetallics are known to exhibit slip on the <001>{110} slip mode, which provides only 3 independent slip systems and, hence, is unable to satisfy the von Mises (a.k.a. Taylor) criterion for polycrystalline ductility. As a result, inherent polycrystalline ductility is unexpected. Recent discovery of a number of ductile B2 intermetallics has raised questions about possible violation of the von Mises criterion by these alloys. These ductile intermetallic compounds are MR (metal (M) combined with a rare earth metal or group IV refractory metal (R)) alloys and are stoichiometric, ordered compounds. Single crystal slip trace analyses have only identified the presence of <100>{011} or <100>{010} slip systems. More than 100 other B2 MR compounds are known to exist and many of them have already been shown to be ductile (e.g., CuY, AgY, CuDy, CoZr, CoTi, etc.). Furthermore, these alloys exhibit a large Bauschinger effect. The present work uses several diffraction based techniques including electron back scattered diffraction (EBSD), X-ray diffraction (XRD) and in-situ neutron diffraction; in conjunction with scanning electron microscopy (SEM), transmission electron microscopy (TEM), mechanical testing, and crystal plasticity modeling, to elucidate the reason for ductility in select B2 alloys, explore the spread of this ductility over the B2 family, and understand the Bauschinger effect in these alloys. Several possible explanations (e.g., slip of <111> dislocations, strong texture, phase transformations and twinning) for the anomalous ductility were explored. An X-ray diffraction based analysis ruled out texture, phase purity and departure from order as explanations for the anomalous ductility in MR alloys. In-situ neutron diffraction and post deformation SEM, EBSD, and TEM were unable to

Plastic behavior of two-phase intermetallic compounds based on L1{sub 2}-type (Al,Cr){sub 3}Ti

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

Park, J.Y.; Wee, D.M.; Oh, M.H.

Plastic behavior of two-phase intermetallic compounds based on L1{sub 2}-type (Al,Cr){sub 3}Ti was investigated using compression test at R.T. and 77K. L1{sub 2} single phase alloys and two-phase alloys consisting of mainly L1{sub 2} phase and a few or 20% (mole percent) second phases were selected from Al-Ti-Cr phase diagram. In general, compared with L1{sub 2} single phase, two-phase alloys consisting of 20% second phase showed relatively high yield strength and poor ductility. Among the alloys, however, Al-21Ti-23Cr alloy consisting of 20% Cr{sub 2}Al phase showed available ductility as well as high yield strength. Plastic behavior of L1{sub 2} singlemore » phase alloys and two-phase alloys consisting of a few Cr{sub 2}Al was also investigated. Homogenization of arc melted ingots substantially reduced the amount of second phases but introduced extensive pore. When Cr content increased in L1{sub 2} single phase alloys after the homogenization, the volume fraction of pores in the alloys decreased, and no residual porosity was observed in two-phase alloys consisting of a few% Cr{sub 2}Al phase. Environmental effect on the ductility of the alloys was investigated using compression test at different strain rates (1.2 {times} 10{sup {minus}4}/s and 1.2 {times} 10{sup {minus}2}/s). Environmental embrittlement was least significant in Al-25Ti-10Cr alloy consisting of L1{sub 2} single phase among the alloys tested in this study. However, based on the combined estimation of the pore formation, environmental embrittlement and ingot cast structure, it could be supposed that Al-21Ti-23Cr alloy consisting of 20% Cr{sub 2}Al as a second phase is expected to show the best tensile elongation behavior among the materials tested.« less

In situ XPS study of methanol reforming on PdGa near-surface intermetallic phases

PubMed Central

Rameshan, Christoph; Stadlmayr, Werner; Penner, Simon; Lorenz, Harald; Mayr, Lukas; Hävecker, Michael; Blume, Raoul; Rocha, Tulio; Teschner, Detre; Knop-Gericke, Axel; Schlögl, Robert; Zemlyanov, Dmitry; Memmel, Norbert; Klötzer, Bernhard

2012-01-01

In situ X-ray photoelectron spectroscopy and low-energy ion scattering were used to study the preparation, (thermo)chemical and catalytic properties of 1:1 PdGa intermetallic near-surface phases. Deposition of several multilayers of Ga metal and subsequent annealing to 503–523 K led to the formation of a multi-layered 1:1 PdGa near-surface state without desorption of excess Ga to the gas phase. In general, the composition of the PdGa model system is much more variable than that of its PdZn counterpart, which results in gradual changes of the near-surface composition with increasing annealing or reaction temperature. In contrast to near-surface PdZn, in methanol steam reforming, no temperature region with pronounced CO2 selectivity was observed, which is due to the inability of purely intermetallic PdGa to efficiently activate water. This allows to pinpoint the water-activating role of the intermetallic/support interface and/or of the oxide support in the related supported PdxGa/Ga2O3 systems, which exhibit high CO2 selectivity in a broad temperature range. In contrast, corresponding experiments starting on the purely bimetallic model surface in oxidative methanol reforming yielded high CO2 selectivity already at low temperatures (∼460 K), which is due to efficient O2 activation on PdGa. In situ detected partial and reversible oxidative Ga segregation on intermetallic PdGa is associated with total oxidation of intermediate C1 oxygenates to CO2. PMID:22875996

Effects of Metallic Nanoparticles on Interfacial Intermetallic Compounds in Tin-Based Solders for Microelectronic Packaging

NASA Astrophysics Data System (ADS)

Haseeb, A. S. M. A.; Arafat, M. M.; Tay, S. L.; Leong, Y. M.

2017-10-01

Tin (Sn)-based solders have established themselves as the main alternative to the traditional lead (Pb)-based solders in many applications. However, the reliability of the Sn-based solders continues to be a concern. In order to make Sn-based solders microstructurally more stable and hence more reliable, researchers are showing great interest in investigating the effects of the incorporation of different nanoparticles into them. This paper gives an overview of the influence of metallic nanoparticles on the characteristics of interfacial intermetallic compounds (IMCs) in Sn-based solder joints on copper substrates during reflow and thermal aging. Nanocomposite solders were prepared by mechanically blending nanoparticles of nickel (Ni), cobalt (Co), zinc (Zn), molybdenum (Mo), manganese (Mn) and titanium (Ti) with Sn-3.8Ag-0.7Cu and Sn-3.5Ag solder pastes. The composite solders were then reflowed and their wetting characteristics and interfacial microstructural evolution were investigated. Through the paste mixing route, Ni, Co, Zn and Mo nanoparticles alter the morphology and thickness of the IMCs in beneficial ways for the performance of solder joints. The thickness of Cu3Sn IMC is decreased with the addition of Ni, Co and Zn nanoparticles. The thickness of total IMC layer is decreased with the addition of Zn and Mo nanoparticles in the solder. The metallic nanoparticles can be divided into two groups. Ni, Co, and Zn nanoparticles undergo reactive dissolution during solder reflow, causing in situ alloying and therefore offering an alternative route of alloy additions to solders. Mo nanoparticles remain intact during reflow and impart their influence as discrete particles. Mechanisms of interactions between different types of metallic nanoparticles and solder are discussed.

Formation enthalpies for transition metal alloys using machine learning

NASA Astrophysics Data System (ADS)

Ubaru, Shashanka; Miedlar, Agnieszka; Saad, Yousef; Chelikowsky, James R.

2017-06-01

The enthalpy of formation is an important thermodynamic property. Developing fast and accurate methods for its prediction is of practical interest in a variety of applications. Material informatics techniques based on machine learning have recently been introduced in the literature as an inexpensive means of exploiting materials data, and can be used to examine a variety of thermodynamics properties. We investigate the use of such machine learning tools for predicting the formation enthalpies of binary intermetallic compounds that contain at least one transition metal. We consider certain easily available properties of the constituting elements complemented by some basic properties of the compounds, to predict the formation enthalpies. We show how choosing these properties (input features) based on a literature study (using prior physics knowledge) seems to outperform machine learning based feature selection methods such as sensitivity analysis and LASSO (least absolute shrinkage and selection operator) based methods. A nonlinear kernel based support vector regression method is employed to perform the predictions. The predictive ability of our model is illustrated via several experiments on a dataset containing 648 binary alloys. We train and validate the model using the formation enthalpies calculated using a model by Miedema, which is a popular semiempirical model used for the prediction of formation enthalpies of metal alloys.

Multiconfigurational nature of 5f orbitals in uranium and plutonium intermetallics

PubMed Central

Booth, C.H.; Jiang, Yu; Wang, D.L.; Mitchell, J.N.; Tobash, P.H.; Bauer, E.D.; Wall, M.A.; Allen, P.G.; Sokaras, D.; Nordlund, D.; Weng, T.-C.; Torrez, M.A.; Sarrao, J.L.

2012-01-01

Uranium and plutonium’s 5f electrons are tenuously poised between strongly bonding with ligand spd-states and residing close to the nucleus. The unusual properties of these elements and their compounds (e.g., the six different allotropes of elemental plutonium) are widely believed to depend on the related attributes of f-orbital occupancy and delocalization for which a quantitative measure is lacking. By employing resonant X-ray emission spectroscopy (RXES) and X-ray absorption near-edge structure (XANES) spectroscopy and making comparisons to specific heat measurements, we demonstrate the presence of multiconfigurational f-orbital states in the actinide elements U and Pu and in a wide range of uranium and plutonium intermetallic compounds. These results provide a robust experimental basis for a new framework toward understanding the strongly-correlated behavior of actinide materials. PMID:22706643

Synthesis, crystal structure, and magnetic properties of novel intermetallic compounds R2Co2SiC (R = Pr, Nd).

PubMed

Zhou, Sixuan; Mishra, Trinath; Wang, Man; Shatruk, Michael; Cao, Huibo; Latturner, Susan E

2014-06-16

The intermetallic compounds R2Co2SiC (R = Pr, Nd) were prepared from the reaction of silicon and carbon in either Pr/Co or Nd/Co eutectic flux. These phases crystallize with a new stuffed variant of the W2CoB2 structure type in orthorhombic space group Immm with unit cell parameters a = 3.978(4) Å, b = 6.094(5) Å, c = 8.903(8) Å (Z = 2; R1 = 0.0302) for Nd2Co2SiC. Silicon, cobalt, and carbon atoms form two-dimensional flat sheets, which are separated by puckered layers of rare-earth cations. Magnetic susceptibility measurements indicate that the rare earth cations in both analogues order ferromagnetically at low temperature (TC ≈ 12 K for Nd2Co2SiC and TC ≈ 20 K for Pr2Co2SiC). Single-crystal neutron diffraction data for Nd2Co2SiC indicate that Nd moments initially align ferromagnetically along the c axis around ∼12 K, but below 11 K, they tilt slightly away from the c axis, in the ac plane. Electronic structure calculations confirm the lack of spin polarization for Co 3d moments.

Plasma sprayed ceramic thermal barrier coating for NiAl-based intermetallic alloys

NASA Technical Reports Server (NTRS)

Miller, Robert A. (Inventor); Doychak, Joseph (Inventor)

1994-01-01

A thermal barrier coating system consists of two layers of a zirconia-yttria ceramic. The first layer is applied by low pressure plasma spraying. The second layer is applied by conventional atmospheric pressure plasma spraying. This facilitates the attachment of a durable thermally insulating ceramic coating directly to the surface of a highly oxidation resistant NiAl-based intermetallic alloy after the alloy has been preoxidized to promote the formation of a desirable Al2O3 scale.

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.

Intermetallic Al-, Fe-, Co- and Ni-Based Thermal Barrier Coatings Prepared by Cold Spray for Applications on Low Heat Rejection Diesel Engines

NASA Astrophysics Data System (ADS)

Leshchinsky, E.; Sobiesiak, A.; Maev, R.

2018-02-01

Conventional thermal barrier coating (TBC) systems consist of a duplex structure with a metallic bond coat and a ceramic heat insulating topcoat. They possess the desired low thermal conductivity, but at the same time they are very brittle and sensitive to thermal shock and thermal cycling due to the inherently low coefficient of thermal expansion. Recent research activities are focused on the developing of multilayer TBC structures obtained using cold spraying and following annealing. Aluminum intermetallics have demonstrated thermal and mechanical properties that allow them to be used as the alternative TBC materials, while the intermetallic layers can be additionally optimized to achieve superior thermal physical properties. One example is the six layer TBC structure in which cold sprayed Al-based intermetallics are synthesized by annealing in nitrogen atmosphere. These multilayer coating systems demonstrated an improved thermal fatigue capability as compared to conventional ceramic TBC. The microstructures and properties of the coatings were characterized by SEM, EDS and mechanical tests to define the TBC material properties and intermetallic formation mechanisms.

Process and apparatus for formation of photovoltaic compounds

DOEpatents

Hall, Robert B.; Rocheleau, Richard E.

1985-01-01

The invention relates to a process and apparatus for formation and deposition of thin films on a substrate, in a vacuum, by evaporation of the elements to form a Zn.sub.x Cd.sub.1-x S compound having a preselected fixed ratio of cadmium to zinc, characterized by the evaporation of cadmium and zinc at a rate the ratio of which is proportional to the stoichiometric ratio of those elements in the intended compound and evaporation of sulfur at a rate at least twice the combined rates of cadmium and zinc, and at least twice that required by the stoichiometry of the intended compound.

Microstructure and wear properties of laser clad Ti2Ni3Si/Ni3Ti multiphase intermetallic coatings

NASA Astrophysics Data System (ADS)

Wang, H. M.; Tang, H. B.; Cai, L. X.; Cao, F.; Zhang, L. Y.; Yu, R. L.

2005-05-01

Wear resistant Ti2Ni3Si/Ni3Ti multiphase intermetallic coatings with a microstructure consisting of Ti2Ni3Si primary dendrites and interdendritic Ti2Ni3Si/Ni3Ti eutectic were fabricated on a substrate of 0.2% C plain carbon steel by a laser cladding process with Ti-Ni-Si alloy powders. The Ti2Ni3Si/Ni3Ti coatings have excellent wear resistance and a low coefficient of friction under metallic dry sliding wear test conditions with hardened 0.45% C carbon steel as the silide-mating counterpart. The excellent tribological properties of the coating are attributed to the high hardness, strong covalent-dominant atomic bonds of the ternary metal silicide Ti2Ni3Si and to the high yield strength and strong yield anomaly of the intermetallic compound Ni3Ti.

Metal- and intermetallic-matrix composites for aerospace propulsion and power systems

NASA Technical Reports Server (NTRS)

Doychak, J.

1992-01-01

The requirements for high specific strength refractory materials of prospective military, civil, and space propulsion systems are presently addressed in the context of emerging capabilities in metal- and intermetallic-matrix composites. The candidate systems encompass composite matrix compositions of superalloy, Nb-Zr refractory alloy, Cu-base, and Ti-base alloy types, as well as such intermetallics as TiAl, Ti3Al, NiAl, and MoSi2. The brittleness of intermetallic matrices remains a major consideration, as does their general difficulty of fabrication.

Electronic and optical properties of RESn{sub 3} (RE=Pr & Nd) intermetallics: A first principles study

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

Pagare, G., E-mail: gita-pagare@yahoo.co.in; Abraham, Jisha A.; Department of Physics, National Defence Academy, Pune-411023

2015-06-24

A theoretical study of structural, electronic and optical properties of RESn{sub 3} (RE = Pr & Nd) intermetallics have been investigated systematically using first principles density functional theory. The calculations are carried out within the PBE-GGA and LSDA for the exchange correlation potential. The ground state properties such as lattice parameter (a{sub 0}), bulk modulus (B) and its pressure derivative (B′) are calculated and the calculated lattice parameters show well agreement with the experimental results. We first time predict elastic constants for these compounds. From energy dispersion curves, it is found that these compounds are metallic in nature. The linearmore » optical response of these compounds are also studied and the higher value of static dielectric constant shows the possibility to use them as good dielectric materials.« less

Growth of Interfacial Intermetallic Compound Layer in Diffusion-Bonded SAC-Cu Solder Joints During Different Types of Thermomechanical Excursion

NASA Astrophysics Data System (ADS)

Kanjilal, Anwesha; Kumar, Praveen

2018-01-01

The effects of mechanical strain on the growth kinetics of interfacial intermetallic compounds (IMCs) sandwiched between Cu substrate and Sn-1.0 wt.%Ag-0.5 wt.%Cu (SAC105) solder have been investigated. Isothermal aging (IA) at 70°C and 125°C, and thermal cycling (TC) as well as thermomechanical cycling (TMC) with shear strain of 12.8% per cycle between -25°C and 125°C were applied to diffusion-bonded solder joints to study the growth behavior of the interfacial IMC layer under various types of thermomechanical excursion (TME). The microstructure of the solder joint tested under each TME was observed at regular intervals. It was observed that the growth rate of the IMC layer was higher in the case of TMC compared with TC or IA. This increased growth rate of the IMC layer in the presence of mechanical strain suggests an additional driving force that enhances the growth kinetics of the IMC. Finite element analysis was performed to gain insight into the effect of TC and TMC on the stress field in the solder joint, especially near the interface between the solder and the substrate. Finally, an analytical model was developed to quantify the effect of strain on the effective diffusivity and express the growth kinetics for all three types of TME using a single expression.

Up-and-coming IMCs. [Intermetallic-Matrix Composites

NASA Technical Reports Server (NTRS)

Bowman, Randy; Noebe, Ronald

1989-01-01

While the good oxidation and environmental resistance, high melting points, and comparatively low densities of such ordered intermetallics as Ti3Al, NiAl, FeAl, and NbAl3 render them good candidates for advanced aerospace structures, their poor toughness at low temperatures and low strength at elevated temperatures have prompted the development of fiber-reinforced intermetallic-matrix composites (IMCs) with more balanced characteristics. Fabrication methods for continuous-fiber IMCs under development include the P/M 'powder cloth' method, the foil/fiber method, and thermal spraying. The ultimate success of IMCs depends on fibers truly compatible with the matrix materials.

Formation of Gradient Structures in the Zone of Joining a Deformable Nickel Alloy and a Single-Crystal Intermetallic Alloy during Thermodiffusion Pressure Welding and Subsequent Heat Treatment

NASA Astrophysics Data System (ADS)

Povarova, K. B.; Valitov, V. A.; Drozdov, A. A.; Bazyleva, O. A.; Galieva, E. V.; Arginbaeva, E. G.

2018-01-01

The possibility of formation of a high-quality solid-phase joint of an Ni3Al-based single-crystal intermetallic VKNA-25 blade alloy with a high-temperature deformable EP975 disk alloy by pressure welding is studied to create high-performance one-piece blisk unit for the next-generation aviation gas turbine engines and to decrease the unit mass. The influence of the conditions of thermodiffusion pressure welding under the hightemperature superplasticity of the disk alloy and the influence of heat treatment of welded joints on the gradient structures in the welded joint zone and the structure at the periphery of the welded samples are investigated.

Magnetism of new metastable cobalt-nitride compounds.

PubMed

Balasubramanian, Balamurugan; Zhao, Xin; Valloppilly, Shah R; Beniwal, Sumit; Skomski, Ralph; Sarella, Anandakumar; Jin, Yunlong; Li, Xingzhong; Xu, Xiaoshan; Cao, Huibo; Wang, Haohan; Enders, Axel; Wang, Cai-Zhuang; Ho, Kai-Ming; Sellmyer, David J

2018-06-06

The search for new magnetic materials with high magnetization and magnetocrystalline anisotropy is important for a wide range of applications including information and energy processing. There is only a limited number of naturally occurring magnetic compounds that are suitable. This situation stimulates an exploration of new phases that occur far from thermal-equilibrium conditions, but their stabilization is generally inhibited due to high positive formation energies. Here a nanocluster-deposition method has enabled the discovery of a set of new non-equilibrium Co-N intermetallic compounds. The experimental search was assisted by computational methods including adaptive-genetic-algorithm and electronic-structure calculations. Conventional wisdom is that the interstitial or substitutional solubility of N in Co is much lower than that in Fe and that N in Co in equilibrium alloys does not produce materials with significant magnetization and anisotropy. By contrast, our experiments identify new Co-N compounds with favorable magnetic properties including hexagonal Co3N nanoparticles with a high saturation magnetic polarization (Js = 1.28 T or 12.8 kG) and an appreciable uniaxial magnetocrystalline anisotropy (K1 = 1.01 MJ m-3 or 10.1 Mergs per cm3). This research provides a pathway for uncovering new magnetic compounds with computational efficiency beyond the existing materials database, which is significant for future technologies.

The effect of intermetallic compound morphology on Cu diffusion in Sn-Ag and Sn-Pb solder bump on the Ni/Cu Under-bump metallization

NASA Astrophysics Data System (ADS)

Jang, Guh-Yaw; Duh, Jenq-Gong

2005-01-01

The eutectic Sn-Ag solder alloy is one of the candidates for the Pb-free solder, and Sn-Pb solder alloys are still widely used in today’s electronic packages. In this tudy, the interfacial reaction in the eutectic Sn-Ag and Sn-Pb solder joints was investigated with an assembly of a solder/Ni/Cu/Ti/Si3N4/Si multilayer structures. In the Sn-3.5Ag solder joints reflowed at 260°C, only the (Ni1-x,Cux)3Sn4 intermetallic compound (IMC) formed at the solder/Ni interface. For the Sn-37Pb solder reflowed at 225°C for one to ten cycles, only the (Ni1-x,Cux)3Sn4 IMC formed between the solder and the Ni/Cu under-bump metallization (UBM). Nevertheless, the (Cu1-y,Niy)6Sn5 IMC was observed in joints reflowed at 245°C after five cycles and at 265°C after three cycles. With the aid of microstructure evolution, quantitative analysis, and elemental distribution between the solder and Ni/Cu UBM, it was revealed that Cu content in the solder near the solder/IMC interface played an important role in the formation of the (Cu1-y,Niy)6Sn5 IMC. In addition, the diffusion behavior of Cu in eutectic Sn-Ag and Sn-Pb solders with the Ni/Cu UBM were probed and discussed. The atomic flux of Cu diffused through Ni was evaluated by detailed quantitative analysis in an electron probe microanalyzer (EPMA). During reflow, the atomic flux of Cu was on the order of 1016-1017 atoms/cm2sec in both the eutectic Sn-Ag and Sn-Pb systems.

Spark plasma sintering of titanium aluminide intermetallics and its composites

NASA Astrophysics Data System (ADS)

Aldoshan, Abdelhakim Ahmed

Titanium aluminide intermetallics are a distinct class of engineering materials having unique properties over conventional titanium alloys. gamma-TiAl compound possesses competitive physical and mechanical properties at elevated temperature applications compared to Ni-based superalloys. gamma-TiAl composite materials exhibit high melting point, low density, high strength and excellent corrosion resistance. Spark plasma sintering (SPS) is one of the powder metallurgy techniques where powder mixture undergoes simultaneous application of uniaxial pressure and pulsed direct current. Unlike other sintering techniques such as hot iso-static pressing and hot pressing, SPS compacts the materials in shorter time (< 10 min) with a lower temperature and leads to highly dense products. Reactive synthesis of titanium aluminide intermetallics is carried out using SPS. Reactive sintering takes place between liquid aluminum and solid titanium. In this work, reactive sintering through SPS was used to fabricate fully densified gamma-TiAl and titanium aluminide composites starting from elemental powders at different sintering temperatures. It was observed that sintering temperature played significant role in the densification of titanium aluminide composites. gamma-TiAl was the predominate phase at different temperatures. The effect of increasing sintering temperature on microhardness, microstructure, yield strength and wear behavior of titanium aluminide was studied. Addition of graphene nanoplatelets to titanium aluminide matrix resulted in change in microhardness. In Ti-Al-graphene composites, a noticeable decrease in coefficient of friction was observed due to the influence of self-lubrication caused by graphene.

Bacterial ethane formation from reduced, ethylated sulfur compounds in anoxic sediments

USGS Publications Warehouse

Oremland, R.S.; Whiticar, Michael J.; Strohmaier, F.E.; Kiene, R.P.

1988-01-01

Trace levels of ethane were produced biologically in anoxic sediment slurries from five chemically different aquatic environments. Gases from these locations displayed biogenic characteristics, having 12C-enriched values of ??13CH4 (-62 to -86%.), ??13C2H6 (-35 to -55%.) and high ratios (720 to 140,000) of CH4 [C2H6 + C3H8]. Endogenous production of ethane by slurries was inhibited by autoclaving or by addition of the inhibitor of methanogenic bacteria, 2-bromoethanesulfonic acid (BES). Ethane formation was stimulated markedly by ethanethiol (ESH), and, to a lesser extent, by diethylsulfide (DES). Formation of methane and ethane in ESH- or DES-amended slurries was blocked by BES. Experiments showed that ethionine (or an analogous compound) could be a precursor of ESH. Ethylamine or ethanol additions to slurries caused only a minor stimulation of ethane formation. Similarly, propanethiol additions resulted in only a minor enhancement of propane formation. Cell suspensions of a methyltrophic methanogen produced traces of ethane when incubated in the presence of DES, although the organism did not grow on this compound. These results indicate that methanogenic bacteria produce ethane from the traces of ethylated sulfur compounds present in recent sediments. Preliminary estimates of stable carbon isotope fractionation associated with sediment methane formation from dimethylsulfide was about 40%., while ethane formation from DES and ESH was only 4. 6 and 6.5%., respectively. ?? 1988.

Investigating secondary aerosol formation from agricultural amines and reduced sulfur compounds

USDA-ARS?s Scientific Manuscript database

Gas phase amines and reduced sulfur compounds are often co-emitted from agricultural processes. Amines have been recently recognized as potentially major sources of agricultural aerosol formation, while the reduced sulfur compounds are largely ignored. There is a severe lack of knowledge and under...

Formation of highly oxygenated organic molecules from aromatic compounds

NASA Astrophysics Data System (ADS)

Molteni, Ugo; Bianchi, Federico; Klein, Felix; El Haddad, Imad; Frege, Carla; Rossi, Michel J.; Dommen, Josef; Baltensperger, Urs

2018-02-01

Anthropogenic volatile organic compounds (AVOCs) often dominate the urban atmosphere and consist to a large degree of aromatic hydrocarbons (ArHCs), such as benzene, toluene, xylenes, and trimethylbenzenes, e.g., from the handling and combustion of fuels. These compounds are important precursors for the formation of secondary organic aerosol. Here we show that the oxidation of aromatics with OH leads to a subsequent autoxidation chain reaction forming highly oxygenated molecules (HOMs) with an O : C ratio of up to 1.09. This is exemplified for five single-ring ArHCs (benzene, toluene, o-/m-/p-xylene, mesitylene (1,3,5-trimethylbenzene) and ethylbenzene), as well as two conjugated polycyclic ArHCs (naphthalene and biphenyl). We report the elemental composition of the HOMs and show the differences in the oxidation patterns of these ArHCs. A potential pathway for the formation of these HOMs from aromatics is presented and discussed. We hypothesize that AVOCs may contribute substantially to new particle formation events that have been detected in urban areas.

Formation of metastable phases during heat treatment of multilayers in the Al-Pt system

NASA Astrophysics Data System (ADS)

Lábár, János L.; Kovács, András; Barna, Péter B.; Gas, Patrick

2001-12-01

This communication reports that several metastable phases form subsequently during heat treatment (up to 500 °C) of Al-rich Al-Pt multilayers. Besides the known a(amorphous)-Al2Pt, formation of two metastable phases with a composition close to Al5Pt was also observed in a transmission electron microscope. One of them corresponds to a phase given by space group P4 in Pearson's collection of intermetallic compounds. The other, a hexagonal phase (a=12.4 Å and c=26.2 Å) is the one that was observed in rapidly solidified Al-Pt alloys [L. Ma, R. Wang, and K. H. Kuo, J. Less-Common Met. 163, 37 (1990)]. Formation of these phases under different conditions is reported here.

Intermetallic negative electrodes for non-aqueous lithium cells and batteries

DOEpatents

Thackeray, Michael M.; Vaughey, John T.; Johnson, Christopher S.; Fransson, Linda M.; Edstrom, Ester Kristina; Henriksen, Gary

2004-05-04

A method of operating an electrochemical cell is disclosed. The cell has an intermetallic negative electrode of Cu.sub.6-x M.sub.x Sn.sub.5, wherein x is .ltoreq.3 and M is one or more metals including Si and a positive electrode containing Li in which Li is shuttled between the positive electrode and the negative electrode during charge and discharge to form a lithiated intermetallic negative electrode during charge. The voltage of the electrochemical cell is controlled during the charge portion of the charge-discharge cycles so that the potential of the lithiated intermetallic negative electrode in the fully charged electrochemical cell is less than 0.2 V but greater than 0 V versus metallic lithium.

High-resolution mass spectrometry of nitrogenous compounds of the Colorado Green River formation oil shale.

NASA Technical Reports Server (NTRS)

Simoneit, B. R.; Schnoes, H. K.; Haug, P.; Burlingame, A. L.

1971-01-01

Basic nitrogenous compounds isolated from extracts of Green River Formation oil shale were analyzed. The major homologous constituents found were the compositional types - namely, quinolines, tetrahydrequinolines with minor amounts of pyridines and indoles series and traces of more aromatized nitrogen compounds. These results are correlated with nitrogen compounds isolated from Green River Formation retort oil and are a survey of the unaltered nitrogen compounds indigeneous to the shale.

Antiferromagnetism, structural instability and frustration in intermetallic AFe4X2 systems

NASA Astrophysics Data System (ADS)

Rosner, Helge; Bergmann, Christoph; Weber, Katharina; Kraft, Inga; Mufti, N.; Klauss, Hans-Henning; Dellmann, T.; Woike, T.; Geibel, Christoph

2013-03-01

Magnetic systems with reduced dimensionality or frustration attract strong interest because these features lead to an increase of quantum fluctuations and often result in unusual properties. Here, we present a detailed study of the magnetic, thermodynamic, and structural properties of the intermetallic AFe4X2 compounds (A=Sc,Y,Lu,Zr; X=Si,Ge) crystallizing in the ZrFe4Si2 structure type. Our results evidence that these compounds cover the whole regime from frustrated AFM order up to an AFM quantum critical point. Susceptibility χ(T), specific heat, resistivity, and T-dependent XRD measurements were performed on polycrystalline samples. In all compounds we observed a Curie-Weiss behavior in χ(T) at high T indicating a paramagnetic moment of about 3μB/Fe. Magnetic and structural transitions as previously reported for YFe4Ge2 occur in all compounds with trivalent A. However, transition temperatures, nature of the transition as well as the relation between structural and magnetic transitions change significantly with the A element. Low TN's and large θCW /TN ratios confirm the relevance of frustration. The results are analyzed and discussed with respect to electronic, structural and magnetic instabilities applying DFT calculations. Financial support from the DFG (GRK 1621) is acknowledged

Intermetallic and ceramic matrix composites for 815 to 1370 C (1500 to 2500 F) gas turbine engine applications

NASA Technical Reports Server (NTRS)

Stephens, Joseph R.

1989-01-01

Light weight and potential high temperature capability of intermetallic compounds, such as the aluminides, and structural ceramics, such as the carbides and nitrides, make these materials attractive for gas turbine engine applications. In terms of specific fuel consumption and specific thrust, revolutionary improvements over current technology are being sought by realizing the potential of these materials through their use as matrices combined with high strength, high temperature fibers. The U.S. along with other countries throughout the world have major research and development programs underway to characterize these composites materials; improve their reliability; identify and develop new processing techniques, new matrix compositions, and new fiber compositions; and to predict their life and failure mechanisms under engine operating conditions. The status is summarized of NASA's Advanced High Temperature Engine Materials Technology Program (HITEMP) and the potential benefits are described to be gained in 21st century transport aircraft by utilizing intermetallic and ceramic matrix composite materials.

Intermetallic alloy welding wires and method for fabricating the same

DOEpatents

Santella, M.L.; Sikka, V.K.

1996-06-11

Welding wires for welding together intermetallic alloys of nickel aluminides, nickel-iron aluminides, iron aluminides, or titanium aluminides, and preferably including additional alloying constituents are fabricated as two-component, clad structures in which one component contains the primary alloying constituent(s) except for aluminum and the other component contains the aluminum constituent. This two-component approach for fabricating the welding wire overcomes the difficulties associated with mechanically forming welding wires from intermetallic alloys which possess high strength and limited ductilities at elevated temperatures normally employed in conventional metal working processes. The composition of the clad welding wires is readily tailored so that the welding wire composition when melted will form an alloy defined by the weld deposit which substantially corresponds to the composition of the intermetallic alloy being joined. 4 figs.

Intermetallic alloy welding wires and method for fabricating the same

DOEpatents

Santella, Michael L.; Sikka, Vinod K.

1996-01-01

Welding wires for welding together intermetallic alloys of nickel aluminides, nickel-iron aluminides, iron aluminides, or titanium aluminides, and preferably including additional alloying constituents are fabricated as two-component, clad structures in which one component contains the primary alloying constituent(s) except for aluminum and the other component contains the aluminum constituent. This two-component approach for fabricating the welding wire overcomes the difficulties associated with mechanically forming welding wires from intermetallic alloys which possess high strength and limited ductilities at elevated temperatures normally employed in conventional metal working processes. The composition of the clad welding wires is readily tailored so that the welding wire composition when melted will form an alloy defined by the weld deposit which substantially corresponds to the composition of the intermetallic alloy being joined.

Grains of Nonferrous and Noble Metals in Iron-Manganese Formations and Igneous Rocks of Submarine Elevations of the Sea of Japan

NASA Astrophysics Data System (ADS)

Kolesnik, O. N.; Astakhova, N. V.

2018-01-01

Iron-manganese formations and igneous rocks of submarine elevations in the Sea of Japan contain overlapping mineral phases (grains) with quite identical morphology, localization, and chemical composition. Most of the grains conform to oxides, intermetallic compounds, native elements, sulfides, and sulfates in terms of the set of nonferrous, noble, and certain other metals (Cu, Zn, Sn, Pb, Ni, Mo, Ag, Pd, and Pt). The main conclusion that postvolcanic hydrothermal fluids are the key sources of metals is based upon a comparison of the data of electron microprobe analysis of iron-manganese formations and igneous rocks dredged at the same submarine elevations in the Sea of Japan.

Impact resistance and energies of intermetallic bonded diamond composites and polycrystalline diamond compacts and their comparison

NASA Astrophysics Data System (ADS)

Gorla, Sai Prasanth

Chemistry of intermetallic bonded diamond is studied. The impact resistance and energies of intermetallic bonded diamond is compared to current poly crystalline diamond compacts. IBD's are found to have high standards of hardness and have more impact energies absorbed. Intermetallic bonded diamond composite comprises of diamond particles dispersed in Tungsten carbide using Nickel aluminide (Ni3Al) as binder. In previous research conducted on IBD's, diamonds are successfully dispersed in intermetallic alloy of nickel aluminide and processed at 1350°C such that diamond particles remain intact without forming graphite. Composites are formed by milling, pressing the intermetallic binder and diamond particles and sintering at high temperature conditions.

The Effect of Cu Powder During Friction Stir Welding on Microstructure and Mechanical Properties of AA3003-H18

NASA Astrophysics Data System (ADS)

Abnar, B.; Kazeminezhad, M.; Kokabi, A. H.

2014-08-01

Friction stir welding (FSW) was used to join 3003-H18 non-heat-treatable aluminum alloy plates by adding copper powder. The copper powder was first added to the gap (0.1 and 0.2 mm) between two plates and then the FSW was performed. The specimens were joined at various rotational speeds of 800, 1000, and 1200 rpm at traveling speeds of 70 and 100 mm/min. The effects of rotational speed, second pass of FSW, and direction of second pass also were studied on copper particle distribution and formation of Al-Cu intermetallic compounds in the stir zone. The second pass of FSW was carried out in two ways; in line with the first pass direction (2F) and in the reverse direction of the first pass (FB). The microstructure, mechanical properties, and formation of intermetallic compounds type were investigated. In high copper powder compaction into the gap, large clusters were formed in the stir zone, while fine clusters and sound copper particles distribution were obtained in low powder compaction. The copper particle distribution and amount of Al-Cu intermetallic compounds were increased in the stir zone with increasing the rotational speed and applying the second pass. Al2Cu and AlCu intermetallic phases were formed in the stir zone and consequently the hardness was significantly increased. The copper particles and in situ intermetallic compounds were symmetrically distributed in both advancing and retreating sides of weld zone after FB passes. Thus, the wider area was reinforced by the intermetallic compounds. Also, the tensile test specimens tend to fracture from the coarse copper aggregation at the low rotational speeds. At high rotational speeds, the fracture locations are placed in HAZ and TMAZ.

Hot Corrosion Behavior of Ti-48Al and Ti-48Al-2Cr Intermetallic Alloys Produced by Electric Current Activated Sintering

NASA Astrophysics Data System (ADS)

Garip, Y.; Ozdemir, O.

2018-06-01

In this study, Ti-48Al and Ti-48Al-2Cr (at. pct) intermetallic alloys were produced by electric current activated sintering (ECAS). In order to characterize the phase formation and microstructures of these alloys, scanning electron microscopy (SEM), energy-dispersive spectroscopy (EDS), and X-ray diffraction (XRD) analysis were used. The XRD result shows that the intermetallic alloys are composed of γ-TiAl and α 2-Ti3Al phases. The microstructure is dense with a low amount of porosity. The hot corrosion behavior of intermetallic alloys was carried out in a salt mixture of 25 wt pct K2SO4 and 75 wt pct Na2SO4 at 700 °C for 180 hours. The morphology of corroded surfaces was observed by SEM-EDS and XRD. Corrosion phases were identified as TiO2 and Al2O3. Well-adhering oxide scale was detected on the corroded sample surface at the end of 180 hours, and no spallation was observed. In addition, a parabolic curve was obtained at the weight change rate vs time.

Investigation of the interfacial reactions between steel and aluminum coatings for hybrid casting

NASA Astrophysics Data System (ADS)

Bobzin, K.; Öte, M.; Wiesner, S.; Gerdt, L.

2018-06-01

Coating of AA7075 was applied by means of cold gas spraying on steel substrates of 22MnB5 and DC04 as an interlayer for high pressure die casting of aluminum/steel hybrid components. The morphology and growth kinetics of intermetallic compounds formed at the interface between coating and steel has been investigated. Furthermore, the effect of alloying elements on the formation of the intermetallic phases was analyzed. The coated samples were heat treated by means of induction heating at the temperature T = 550 °C with different dwell times in the range of 10 s < t < 5 min. The reaction layer growth was examined by means of scanning electron microscope (SEM) with energy dispersive spectroscopy (EDS). Additionally, the intermetallic compounds were characterized by means of nanoindentation. Intermetallic compounds of AlFe phases occurred as the major constituent in the reaction zone for different combinations of coating and substrates.

Characterization of Impact Initiation of Aluminum-Based Intermetallic-Forming Reactive Materials

DTIC Science & Technology

2011-12-01

compressed intermetallic-forming aluminum-based reactive materials upon impact initiation, consisting of equi-volumetric tantalum-aluminum, tungsten-aluminum...18 2.3.4 Dynamic Energy Release Characterization using Pig Test . . . . . . 21 2.3.5 Shock Compression of Reactive Powder Mixtures...is to evaluate the reaction initiation characteristics of quasi-statically compressed intermetallic-forming aluminum-based reactive materials upon

Crystallographic features of the martensitic transformation and their impact on variant organization in the intermetallic compound Ni50Mn38Sb12 studied by SEM/EBSD.

PubMed

Zhang, Chunyang; Zhang, Yudong; Esling, Claude; Zhao, Xiang; Zuo, Liang

2017-09-01

The mechanical and magnetic properties of Ni-Mn-Sb intermetallic compounds are closely related to the martensitic transformation and martensite variant organization. However, studies of these issues are very limited. Thus, a thorough crystallographic investigation of the martensitic transformation orientation relationship (OR), the transformation deformation and their impact on the variant organization of an Ni 50 Mn 38 Sb 12 alloy using scanning electron microscopy/electron backscatter diffraction (SEM/EBSD) was conducted in this work. It is shown that the martensite variants are hierarchically organized into plates, each possessing four distinct twin-related variants, and the plates into plate colonies, each containing four distinct plates delimited by compatible and incompatible plate interfaces. Such a characteristic organization is produced by the martensitic transformation. It is revealed that the transformation obeys the Pitsch relation ({0[Formula: see text]} A // {2[Formula: see text]} M and 〈0[Formula: see text]1〉 A // 〈[Formula: see text]2〉 M ; the subscripts A and M refer to austenite and martensite, respectively). The type I twinning plane K 1 of the intra-plate variants and the compatible plate interface plane correspond to the respective orientation relationship planes {0[Formula: see text]} A and {0[Formula: see text]} A of austenite. The three {0[Formula: see text]} A planes possessed by each pair of compatible plates, one corresponding to the compatible plate interface and the other two to the variants in the two plates, are interrelated by 60° and belong to a single 〈11[Formula: see text]〉 A axis zone. The {0[Formula: see text]} A planes representing the two pairs of compatible plates in each plate colony belong to two 〈11[Formula: see text]〉 A axis zones having one {0[Formula: see text]} A plane in common. This common plane defines the compatible plate interfaces of the two pairs of plates. The transformation strains to form the

Gum formation tendencies of olefinic structures in gasoline and synergistic effect of sulphur compounds

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

Nagpal, J.M.; Joshi, G.C.; Aswal, D.S.

1995-04-01

The high octane gasoline pool contains varying amounts of cracked naphthas as an important ingredient in formulating high octane lead free gasoline. The cracked naphthas are largely from Fluidized Catalytic Cracking (FCC) units and to lesser extend from thermal cracking units. While the role of olefinic unsaturation in gum formation during storage of gasoline has been extensively studied, there is little published work on contribution of individual olefin types in storage stability and gum formation tendency of gasoline containing these compound types. In the present work we report our results on storage stability and gum formation tendency of different olefinmore » types present in cracked naphthas through model compound matrix. It is found that cyclic olefins and cyclic diolefins are the most prolific gum formers. We have also studied the role of sulfur compounds present in the gasolines on gum formation tendency of olefins. While thiols enhance gum formation from all olefinic types, sulfides and disulfides interact depending on the structure of olefins. These can have either an accelerating, or inhibiting effect on gum formation.« less

Azo compound degradation kinetics and halonitromethane formation kinetics during chlorination.

PubMed

Fu, Jing; Wang, Xiaomao; Bai, Weiliang; Yang, Hongwei; Xie, Yuefeng F

2017-05-01

The chlorination of azo compounds can produce halonitromethanes (HNMs), which have attracted increasing concern due to their high genotoxicity. By impacting the speciation of chlorine and azo compounds, pH impacts apparent second-order rate constants of Methyl Orange (MO, 27.5-1.4 × 10 3  M -1  s -1 ), Acid Orange II (AO, 16.7-99.3 M -1  s -1 ), and Acid Red 1 (AR 1, 3.7-72.5 M -1  s -1 ) (pH range 6.3-9.0). The two-compartment first-order model successfully described the chloropicrin (TCNM) formation kinetics, suggesting that both fast- and slow-reacting precursors of TCNM are generated from the chlorination of azo compounds. The ratios between fast and slow formation rate constants for MO and AO were 15.6-5.4 × 10 2 , while that of AR 1 was 9.8-19.4 (pH range 6.5-9.0). The fraction of the fast-reacting TCNM precursors decreased with increasing pH for MO and AO; while that for AR 1 decreased when pH increased from 6.5 to 8.0, and then increased when pH increased from 8.0 to 9.0. The impact of pH on TCNM formation was also precursor-specific. The highest molar yields of TCNM predicted from the model in this study were 2.4%, 2.5%, and 1.5% for MO, AO, and AR 1, respectively. The study demonstrates that azo compounds are important HNM precursors, and pose a potential threat to drinking water safety. Copyright © 2017 Elsevier Ltd. All rights reserved.

Formation of nitrogen-containing compounds during microwave pyrolysis of microalgae: Product distribution and reaction pathways.

PubMed

Huang, Feng; Tahmasebi, Arash; Maliutina, Kristina; Yu, Jianglong

2017-12-01

The formation of nitrogen-containing compounds in bio-oil during microwave pyrolysis of Chlorella and Spirulina microalgae has been investigated in this study. Activated carbon (AC) and magnetite (Fe 3 O 4 ) were used as microwave receptors during microwave pyrolysis experiments. It has been found that the use of Fe 3 O 4 increased the total yield of bio-oil. The use of different microwave receptors did not seem to have affected the total yield of nitrogen-containing compounds in the bio-oil. However, Fe 3 O 4 promoted the formation of nitrogen-containing aliphatics, thereby reducing the formation of nitrogen-containing aromatics. The use of AC promoted the dehydration reactions during amino acid decomposition, thereby enhancing the formation of nitrogen-containing aromatics during pyrolysis. From the gas chromatography-mass spectrometry (GC-MS) analysis results, the major high-value nitrogen-containing compounds in the pyrolysis bio-oil of Chlorella and Spirulina were identified as indole and dodecamide. The formation mechanisms of nitrogen-containing compounds were proposed and discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.

Effect of elastic collisions and electronic excitation on lattice structure of NiTi bulk intermetallic compound irradiated with energetic ions

NASA Astrophysics Data System (ADS)

Ochi, M.; Kojima, H.; Hori, F.; Kaneno, Y.; Semboshi, S.; Saitoh, Y.; Okamoto, Y.; Ishikawa, N.; Iwase, A.

2018-07-01

NiTi bulk intermetallic compound with the B19‧ structure was irradiated with 1 MeV He, 5 MeV Al, 16 MeV Au and 200 MeV Xe ions, and the change in lattice structure near the surface by the ion bombardment was investigated by using the grazing incidence X-ray diffraction (GIXD) and the extended X-ray absorption fine structure (EXAFS). The lattice structure transformation by the irradiation strongly depends on ion species and/or energies. For the 1 MeV He irradiation, the lattice structure changed from B19‧ to the A2 structure, but did not show an amorphization even after the high fluence irradiation. For the 5 MeV Al irradiation, the samples are partially amorphized. For the 16 MeV Au irradiation, the lattice structure of the NiTi samples changed nearly completely from the B19‧ structure to the amorphous state via the A2 structure. The value of dpa (displacement per atom) which is needed for the amorphization is, however, much smaller than the case of the Al ion irradiation. For the 200 MeV Xe ion irradiation, the lattice structure completely changed to the A2 structure even by a small ion fluence. The dependence of the lattice structure transformation on elastic collisions (dpa), the spectrum of the primary knock-on (PKA) atoms and the density of energy deposited through electronic excitation was discussed.

FP-LAPW study of structural, electronic, elastic, mechanical and thermal properties of AlFe intermetallic

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

Jain, Ekta, E-mail: jainekta05@gmail.com; Pagare, Gitanjali, E-mail: gita-pagare@yahoo.co.in; Sanyal, S. P., E-mail: sps.physicsbu@gmail.com

2016-05-06

The structural, electronic, elastic, mechanical and thermal properties of AlFe intermetallic compound in B{sub 2}-type (CsCl) structure have been investigated using first-principles calculations. The exchange-correlation term was treated within generalized gradient approximation. Ground state properties i.e. lattice constants (a{sub 0}), bulk modulus (B) and first-order pressure derivative of bulk modulus (B’) are presented. The density of states are derived which show the metallic character of present compound. Our results for C{sub 11}, C{sub 12} and C{sub 44} agree well with previous theoretical data. Using Pugh’s criteria (B/G{sub H} < 1.75), brittle character of AlFe is satisfied. In addition shear modulusmore » (G{sub H}), Young’s modulus (E), sound wave velocities and Debye temperature (θ{sub D}) have also been estimated.« less

Formation of degradation compounds from lignocellulosic biomass in the biorefinery: sugar reaction mechanisms.

PubMed

Rasmussen, Helena; Sørensen, Hanne R; Meyer, Anne S

2014-02-19

The degradation compounds formed during pretreatment when lignocellulosic biomass is processed to ethanol or other biorefinery products include furans, phenolics, organic acids, as well as mono- and oligomeric pentoses and hexoses. Depending on the reaction conditions glucose can be converted to 5-(hydroxymethyl)-2-furaldehyde (HMF) and/or levulinic acid, formic acid and different phenolics at elevated temperatures. Correspondingly, xylose can follow different reaction mechanisms resulting in the formation of furan-2-carbaldehyde (furfural) and/or various C-1 and C-4 compounds. At least four routes for the formation of HMF from glucose and three routes for furfural formation from xylose are possible. In addition, new findings show that biomass monosaccharides themselves can react further to form pseudo-lignin and humins as well as a wide array of other compounds when exposed to high temperatures. Hence, several aldehydes and ketones and many different organic acids and aromatic compounds may be generated during hydrothermal treatment of lignocellulosic biomass. The reaction mechanisms are of interest because the very same compounds that are possible inhibitors for biomass processing enzymes and microorganisms may be valuable biobased chemicals. Hence a new potential for industrial scale synthesis of chemicals has emerged. A better understanding of the reaction mechanisms and the impact of the reaction conditions on the product formation is thus a prerequisite for designing better biomass processing strategies and forms an important basis for the development of new biorefinery products from lignocellulosic biomass as well. Copyright © 2013 Elsevier Ltd. All rights reserved.

Thermodynamics of Alloys: Studies of Nickel-Gallium, Nickel-Germanium and Nickel-Rhodium Alloys.

DTIC Science & Technology

NICKEL ALLOYS, *GALLIUM ALLOYS, *GERMANIUM ALLOYS, * RHODIUM ALLOYS, *PHASE STUDIES, THERMODYNAMICS, INTERMETALLIC COMPOUNDS, FREE ENERGY, ENTROPY, HEAT OF FORMATION, CRYSTAL STRUCTURE, UNITED KINGDOM.

Ordered Pt 3Co Intermetallic Nanoparticles Derived from Metal–Organic Frameworks for Oxygen Reduction

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

Wang, Xiao Xia; Hwang, Sooyeon; Pan, Yung-Tin

Highly ordered Pt alloy structures are proved effective to improve their catalytic activity and stability for the oxygen reduction reaction (ORR) for proton exchange membrane fuel cells. Here, we report a new approach to preparing ordered Pt 3Co intermetallic nanoparticles through a facile thermal treatment of Pt nanoparticles supported on Co-doped metal-organic framework (MOF)-derived carbon. In particular, the atomically dispersed Co sites, which are originally embedded into MOF-derived carbon, diffuse into Pt nanocrystals and form ordered Pt 3Co structures. It is very crucial for the formation of the ordered Pt 3Co to carefully control the doping content of Co intomore » the MOFs and the heating temperatures for Co diffusion. The optimal Pt 3Co nanoparticle catalyst has achieved significantly enhanced activity and stability, exhibiting a half-wave potential up to 0.92 V vs. RHE and only losing 12 mV after 30,000 potential cycling between 0.6 and 1.0 V. The highly ordered intermetallic structure was retained after the accelerated stress tests evidenced by atomic-scale elemental mapping. Fuel cell tests further verified the high intrinsic activity of the ordered Pt 3Co catalysts. Unlike the direct use of MOF-derived carbon supports for depositing Pt, we utilized MOF-derived carbon containing atomically dispersed Co sites as Co sources to prepare ordered Pt 3Co intermetallic catalysts. Finally, the new synthesis approach provides an effective strategy to develop active and stable Pt alloy catalysts by leveraging the unique properties of MOFs such as 3D structures, high surface areas, and controlled nitrogen doping.« less

Ordered Pt 3Co Intermetallic Nanoparticles Derived from Metal–Organic Frameworks for Oxygen Reduction

DOE PAGES

Wang, Xiao Xia; Hwang, Sooyeon; Pan, Yung-Tin; ...

2018-06-06

Highly ordered Pt alloy structures are proved effective to improve their catalytic activity and stability for the oxygen reduction reaction (ORR) for proton exchange membrane fuel cells. Here, we report a new approach to preparing ordered Pt 3Co intermetallic nanoparticles through a facile thermal treatment of Pt nanoparticles supported on Co-doped metal-organic framework (MOF)-derived carbon. In particular, the atomically dispersed Co sites, which are originally embedded into MOF-derived carbon, diffuse into Pt nanocrystals and form ordered Pt 3Co structures. It is very crucial for the formation of the ordered Pt 3Co to carefully control the doping content of Co intomore » the MOFs and the heating temperatures for Co diffusion. The optimal Pt 3Co nanoparticle catalyst has achieved significantly enhanced activity and stability, exhibiting a half-wave potential up to 0.92 V vs. RHE and only losing 12 mV after 30,000 potential cycling between 0.6 and 1.0 V. The highly ordered intermetallic structure was retained after the accelerated stress tests evidenced by atomic-scale elemental mapping. Fuel cell tests further verified the high intrinsic activity of the ordered Pt 3Co catalysts. Unlike the direct use of MOF-derived carbon supports for depositing Pt, we utilized MOF-derived carbon containing atomically dispersed Co sites as Co sources to prepare ordered Pt 3Co intermetallic catalysts. Finally, the new synthesis approach provides an effective strategy to develop active and stable Pt alloy catalysts by leveraging the unique properties of MOFs such as 3D structures, high surface areas, and controlled nitrogen doping.« less

Structural transformations and properties of titanium-aluminum composite during heat treatment

NASA Astrophysics Data System (ADS)

Pervukhin, L. B.; Kryukov, D. B.; Krivenkov, A. O.; Chugunov, S. N.

2017-08-01

The link between the parameters of heat treatment of a layered titanium-aluminum composite material obtained by explosive welding with the formation of intermetallic compounds in it has been analyzed. The results of measurements of the microhardness of the composite and the thickness of the interlayer of the intermetallic phase obtained using different regimes of heat treatment have been discussed. Special attention has been paid to estimating the composition of the intermetallic phase in the composite prepared by explosive welding.

Interfacial reactions and compound formation of Sn-Ag-Cu solders by mechanical alloying on electroless Ni-P/Cu under bump metallization

NASA Astrophysics Data System (ADS)

Kao, Szu-Tsung; Duh, Jenq-Gong

2005-08-01

Electroless Ni-P under bump metallization (UBM) has been widely used in electronic interconnections due to the good diffusion barrier between Cu and solder. In this study, the mechanical alloying (MA) process was applied to produce the SnAgCu lead-free solder pastes. Solder joints after annealing at 240°C for 15 min were employed to investigate the evolution of interfacial reaction between electroless Ni-P/Cu UBM and SnAgCu solder with various Cu concentrations ranging from 0.2 to 1.0 wt.%. After detailed quantitative analysis with an electron probe microanalyzer, the effect of Cu content on the formation of intermetallic compounds (IMCs) at SnAgCu solder/electroless Ni-P interface was evaluated. When the Cu concentration in the solder was 0.2 wt.%, only one (Ni, Cu)3Sn4 layer was observed at the solder/electroless Ni-P interface. As the Cu content increased to 0.5 wt.%, (Cu, Ni)6Sn5 formed along with (Ni, Cu)3Sn4. However, only one (Cu, Ni)6Sn5 layer was revealed, if the Cu content was up to 1 wt.%. With the aid of microstructure evolution, quantitative analysis, and elemental distribution by x-ray color mapping, the presence of the Ni-Sn-P phase and P-rich layer was evidenced.

Investigation of electronic structure and chemical bonding of intermetallic Pd2HfIn: An ab-initio study

NASA Astrophysics Data System (ADS)

Bano, Amreen; Gaur, N. K.

2018-05-01

Ab-initio calculations are carried out to study the electronic and chemical bonding properties of Intermetallic full Heusler compound Pd2HfIn which crystallizes in F-43m structure. All calculations are performed by using density functional theory (DFT) based code Quantum Espresso. Generalized gradient approximations (GGA) of Perdew- Burke- Ernzerhof (PBE) have been adopted for exchange-correlation potential. Calculated electronic band structure reveals the metallic character of the compound. From partial density of states (PDoS), we found the presence of relatively high intensity electronic states of 4d-Pd atom at Fermi level. We have found a pseudo-gap just abouve the Fermi level and N(E) at Fermi level is observed to be 0.8 states/eV, these finding indicates the existence of superconducting character in Pd2HfIn.

Electronic structure, elasticity, bonding features and mechanical behaviour of zinc intermetallics: A DFT study

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

Fatima, Bushra, E-mail: bushrafatima25@gmail.com; Acharya, Nikita; Sanyal, Sankar P.

2016-05-06

The structural stability, electronic structure, elastic and mechanical properties of TiZn and ZrZn intermetallics have been studied using ab-initio full potential linearized augmented plane wave (FP-LAPW) method within generalized gradient approximation for exchange and correlation potentials. The various structural parameters, such as lattice constant (a{sub 0}), bulk modulus (B), and its pressure derivative (B’) are analysed and compared. The investigation of elastic constants affirm that both TiZn and ZrZn are elastically stable in CsCl (B{sub 2} phase) structure. The electronic structures have been analysed quantitatively from the band structure which reveals the metallic nature of these compounds. To better illustratemore » the nature of bonding and charge transfer, we have also studied the Fermi surfaces. The three well known criterion of ductility namely Pugh’s rule, Cauchy’s pressure and Frantsevich rule elucidate the ductile nature of these compounds.« less

Growth kinetics of Cu6Sn5 intermetallic compound at liquid-solid interfaces in Cu/Sn/Cu interconnects under temperature gradient

PubMed Central

Zhao, N.; Zhong, Y.; Huang, M.L.; Ma, H.T.; Dong, W.

2015-01-01

The growth behavior of intermetallic compounds (IMCs) at the liquid-solid interfaces in Cu/Sn/Cu interconnects during reflow at 250 °C and 280 °C on a hot plate was investigated. Being different from the symmetrical growth during isothermal aging, the interfacial IMCs showed clearly asymmetrical growth during reflow, i.e., the growth of Cu6Sn5 IMC at the cold end was significantly enhanced while that of Cu3Sn IMC was hindered especially at the hot end. It was found that the temperature gradient had caused the mass migration of Cu atoms from the hot end toward the cold end, resulting in sufficient Cu atomic flux for interfacial reaction at the cold end while inadequate Cu atomic flux at the hot end. The growth mechanism was considered as reaction/thermomigration-controlled at the cold end and grain boundary diffusion/thermomigration-controlled at the hot end. A growth model was established to explain the growth kinetics of the Cu6Sn5 IMC at both cold and hot ends. The molar heat of transport of Cu atoms in molten Sn was calculated as + 11.12 kJ/mol at 250 °C and + 14.65 kJ/mol at 280 °C. The corresponding driving force of thermomigration in molten Sn was estimated as 4.82 × 10−19 N and 6.80 × 10−19 N. PMID:26311323

The application and research status of tin whisker formation in electric usage

NASA Astrophysics Data System (ADS)

Zhao, Heng; Liu, Qing-bin; Lan, Yuan-pei; Wang, Hua; Yao, Da-wei

2017-05-01

`Hair Like' crystalline structure grows from most pure tin or zinc finishes. Usually, the diameter of tin whisker is up to 10 mm and the length of tin whisker is typically 1 µm. In detail, the questions for tin whisker formation are classified into 6 categories: 1. Residual stress with in the tin plating; 2. Intermetallic Formation; 3. Externally Applied Compressive Stress; 4. Bending and Stretching; 5. Scratches and Nicks; 6. Coefficient of Thermal Expansion Mismatches. The result shows that, whisker formation could causes electrical short circuit (High current of whisker melting), debris contamination (Sensitive Optical and Micro Electrical Mechanical System) and metal vapor (Vaporize Damage). Thus, it is suggested that environmental tests and standards (Whisker Shape, Temperature, Pressure, Moisture, Thermal Cycling, and Electrical Field) are required for suppressing whisker formation. Nowadays, the new standards committee of Europe Union acts RoHS (Restriction of certain Hazardous Substances) and WEEE (Waste Electrical and Electronic Equipment) to restrict Pb usage. Thus, new compounds adding to alloys to suppress whiskers are required in electronic application area. In summary, the tin whisker formation is largely influenced by compositions and precipitations.

From Structural Complexity to Structure-Property Relationships in Intermetallics: Development of Density Functional Theory-Chemical Pressure Analysis

NASA Astrophysics Data System (ADS)

Engelkemier, Joshua

The unparalleled structural diversity of intermetallic compounds provides nearly unlimited potential for the discovery and optimization of materials with useful properties, such as thermoelectricity, superconductivity, magnetism, hydrogen storage, superelasticity, and catalysis. This same diversity, however, creates challenges for understanding and controlling the unpredictable structure of intermetallic phases. Moreover, the fundamental design principles that have proven so powerful in molecular chemistry do not have simple analogues for metallic, solid state materials. One of these basic principles is the concept of atomic size effects. Especially in densely packed crystal structures where the need to fill space is in competition with the atoms' preferences for ideal interatomic distances, substitution of one element in a compound for another with similar chemical properties yet different atomic size can have dramatic effects on the ordering of the atoms (which in turn affects the electronic structure, vibrational properties, and materials properties). But because the forces that hold metallic phases together are less easily understood from a local perspective than covalent or ionic interactions in other kinds of materials, it is usually unclear whether the atoms are organized to optimize stabilizing, bonding interactions or rather forced to be close together despite repulsive, steric interactions. This dissertation details the development of a theoretical method, called Density Functional Theory-Chemical Pressure (DFT-CP) analysis, to address this issue. It works by converting the distribution of total energy density from a DFT calculation into a map of chemical pressure through a numerical approximation of the first derivative of energy with respect to voxel volume. The CP distribution is then carefully divided into contact volumes between neighboring atoms, from which it is possible to determine whether atoms are too close together (positive CP) or too far

Superconducting compounds and alloys research

NASA Technical Reports Server (NTRS)

Otto, G.

1975-01-01

Resistivity measurements as a function of temperature were performed on alloys of the binary material system In sub(1-x) Bi sub x for x varying between 0 and 1. It was found that for all single-phase alloys (the pure elements, alpha-In, and the three intermetallic compounds) at temperatures sufficiently above the Debye-temperature, the resistivity p can be expressed as p = a sub o T(n), where a sub o and n are composition-dependent constants. The same exponential relationship can also be applied for the sub-system In-In2Bi, when the two phases are in compositional equilibrium. Superconductivity measurements on single and two-phase alloys can be explained with respect to the phase diagram. There occur three superconducting phases (alpha-In, In2Bi, and In5Bi3) with different transition temperatures in the alloying system. The magnitude of the transition temperatures for the various intermetallic phases of In-Bi is such that the disappearance or occurrence of a phase in two component alloys can be demonstrated easily by means of superconductivity measurements.

The Effect of Premixed Al-Cu Powder on the Stir Zone in Friction Stir Welding of AA3003-H18

NASA Astrophysics Data System (ADS)

Abnar, B.; Kazeminezhad, M.; Kokabi, A. H.

2015-02-01

In this research, 3-mm-thick AA3003-H18 non-heat-treatable aluminum alloy plates were joined by friction stir welding (FSW). It was performed by adding pure Cu and premixed Cu-Al powders at various rotational speeds of 800, 1000, and 1200 rpm and constant traveling speeds of 100 mm/min. At first, the powder was filled into the gap (0.2 or 0.4 mm) between two aluminum alloy plates, and then the FSW process was performed in two passes. The microstructure, mechanical properties, and formation of intermetallic compounds were investigated in both cases of using pure Cu and premixed Al-Cu powders. The results of using pure Cu and premixed Al-Cu powders were compared in the stir zone at various rotational speeds. The copper particle distribution and formation of Al-Cu intermetallic compounds (Al2Cu and AlCu) in the stir zone were desirable using premixed Al-Cu powder into the gap. The hardness values were significantly increased by formation of Al-Cu intermetallic compounds in the stir zone and it was uniform throughout the stir zone when premixed Al-Cu powder was used. Also, longitudinal tensile strength from the stir zone was higher when premixed Al-Cu powder was used instead of pure Cu powder.

Phenolic compounds participating in mulberry juice sediment formation during storage.

PubMed

Zou, Bo; Xu, Yu-Juan; Wu, Ji-Jun; Yu, Yuan-Shan; Xiao, Geng-Sheng

The stability of clarified juice is of great importance in the beverage industry and to consumers. Phenolic compounds are considered to be one of the main factors responsible for sediment formation. The aim of this study is to investigate the changes in the phenolic content in clarified mulberry juice during storage. Hence, separation, identification, quantification, and analysis of the changes in the contents of phenolic compounds, both free and bound forms, in the supernatant and sediments of mulberry juice, were carried out using high performance liquid chromatographic system, equipped with a photo-diode array detector (HPLC-PDA) and HPLC coupled with quadrupole-time of flight mass spectrometric (HPLC-QTOF-MS/MS) techniques. There was an increase in the amount of sediment formed over the period of study. Total phenolic content of supernatant, as well as free phenolic content in the extracts of the precipitate decreased, whereas the bound phenolic content in the sediment increased. Quantitative estimation of individual phenolic compounds indicated high degradation of free anthocyanins in the supernatant and sediment from 938.60 to 2.30 mg/L and 235.60 to 1.74 mg/g, respectively. A decrease in flavonoids in the supernatant was also observed, whereas the contents of bound forms of gallic acid, protocatechuic acid, caffeic acid, and rutin in the sediment increased. Anthocyanins were the most abundant form of phenolics in the sediment, and accounted for 67.2% of total phenolics after 8 weeks of storage. These results revealed that phenolic compounds, particularly anthocyanins, were involved in the formation of sediments in mulberry juice during storage.

Microstructural Characteristics and Mechanical Properties of an Electron Beam-Welded Ti/Cu/Ni Joint

NASA Astrophysics Data System (ADS)

Zhang, Feng; Wang, Ting; Jiang, Siyuan; Zhang, Binggang; Feng, Jicai

2018-04-01

Electron beam welding experiments of TA15 titanium alloy to GH600 nickel superalloy with and without a copper sheet interlayer were carried out. Surface appearance, microstructure and phase constitution of the joint were examined by optical microscopy, scanning electron microscopy and x-ray diffraction analysis. Mechanical properties of Ti/Ni and Ti/Cu/Ni joint were evaluated based on tensile strength and microhardness tests. The results showed that cracking occurred in Ti/Ni electron beam weldment for the formation of brittle Ni-Ti intermetallics, while a crack-free electron beam-welded Ti/Ni joint can be obtained by using a copper sheet as filler metal. The addition of copper into the weld affected the welding metallurgical process of the electron beam-welded Ti/Ni joint significantly and was helpful for restraining the formation of Ti-Ni intermetallics in Ti/Ni joint. The microstructure of the weld was mainly characterized by a copper-based solid solution and Ti-Cu interfacial intermetallic compounds. Ti-Ni intermetallic compounds were almost entirely suppressed. The hardness of the weld zone was significantly lower than that of Ti/Ni joint, and the tensile strength of the joint can be up to 282 MPa.

Microstructural Characteristics and Mechanical Properties of an Electron Beam-Welded Ti/Cu/Ni Joint

NASA Astrophysics Data System (ADS)

Zhang, Feng; Wang, Ting; Jiang, Siyuan; Zhang, Binggang; Feng, Jicai

2018-05-01

Electron beam welding experiments of TA15 titanium alloy to GH600 nickel superalloy with and without a copper sheet interlayer were carried out. Surface appearance, microstructure and phase constitution of the joint were examined by optical microscopy, scanning electron microscopy and x-ray diffraction analysis. Mechanical properties of Ti/Ni and Ti/Cu/Ni joint were evaluated based on tensile strength and microhardness tests. The results showed that cracking occurred in Ti/Ni electron beam weldment for the formation of brittle Ni-Ti intermetallics, while a crack-free electron beam-welded Ti/Ni joint can be obtained by using a copper sheet as filler metal. The addition of copper into the weld affected the welding metallurgical process of the electron beam-welded Ti/Ni joint significantly and was helpful for restraining the formation of Ti-Ni intermetallics in Ti/Ni joint. The microstructure of the weld was mainly characterized by a copper-based solid solution and Ti-Cu interfacial intermetallic compounds. Ti-Ni intermetallic compounds were almost entirely suppressed. The hardness of the weld zone was significantly lower than that of Ti/Ni joint, and the tensile strength of the joint can be up to 282 MPa.

Longitudinal recording on FePt and FePtX (X = B, Ni) intermetallic compounds

NASA Astrophysics Data System (ADS)

Li, Ning

1999-11-01

Near field recording on high coercivity FePt intermetallic compound media using a high Bsat write element was investigated. Untextured FePt media were prepared by magnetron sputtering on ZrO2 disks at a substrate temperature of 450°C, with post annealing at 450°C for 8 hrs. Both multilayer and cosputtered precursors produced the ordered tetragonal L10 phase with high coercivity between 5kOe and 12kOe. To improve readback noise decrease magnetic domain size, FePtB media were subsequently prepared by cosputtering. Over-write, roll-off, signal to noise ratio and non-linear transition shift (NLTS) ere measured by both metal in gap (MIG) and merged MR heads. FePtB media showed similar NLTS to commercial CoCrPtTa longitudinal media, but 5dB lower signal to noise ratio. By operating recording transducers in near contact, reasonable values of (>30dB) could be obtained. VSM Rotational Transverse Magnetization has been used for measuring the anisotropy field of magnetic thin films. Magnetization reversal during rotation of a 2D isotropic an applied field is discussed. The relationship between the transverse magnetization My and the applied field H was numerically solved. An excellent approximation for the transverse magnetization is found to be: My/Ms=A(1- H/Hk) 2.5, where A = 1.1434, and Hk is the anisotropy field. For curve fitting to experimental data, both A and Hk were used as fitting parameters. Comparison between a constructed torque hysteresis method and this VSM RTM method have been made theoretically and experimentally. Both results showed that VSM RTM will give better extrapolation of the anisotropy field. The torque measurement will slightly overestimate the anisotropy field. The anisotropy fields of FePt and FePtX (X = B, Ni) films were characterized using this VSM RTM technique with comparison to a CoCrTaPt disk. Anisotropy energy was derived. Hc/Hk was used as an indicator for coherent rotation of a single domain. Interactions between magnetic domains were

Atomic interaction of the MEAM type for the study of intermetallics in the Al-U alloy

NASA Astrophysics Data System (ADS)

Pascuet, M. I.; Fernández, J. R.

2015-12-01

Interaction for both pure Al and Al-U alloys of the MEAM type are developed. The obtained Al interatomic potential assures its compatibility with the details of the framework presently adopted. The Al-U interaction fits various properties of the Al2U, Al3U and Al4U intermetallics. The potential verifies the stability of the intermetallic structures in a temperature range compatible with that observed in the phase diagram, and also takes into account the greater stability of these structures relative to others that are competitive in energy. The intermetallics are characterized by calculating elastic and thermal properties and point defect parameters. Molecular dynamics simulations show a growth of the Al3U intermetallic in the Al/U interface in agreement with experimental evidence.

Microstructure and high-temperature oxidation resistance of TiN/Ti3Al intermetallic matrix composite coatings on Ti6Al4V alloy surface by laser cladding

NASA Astrophysics Data System (ADS)

Zhang, Xiaowei; Liu, Hongxi; Wang, Chuanqi; Zeng, Weihua; Jiang, Yehua

2010-11-01

A high-temperature oxidation resistant TiN embedded in Ti3Al intermetallic matrix composite coating was fabricated on titanium alloy Ti6Al4V surface by 6kW transverse-flow CO2 laser apparatus. The composition, morphology and microstructure of the laser clad TiN/Ti3Al intermetallic matrix composite coating were characterized by optical microscopy (OM), scanning electron microscopy (SEM), X-ray diffraction (XRD) and energy dispersive spectrometer (EDS). In order to evaluate the high-temperature oxidation resistance of the composite coatings and the titanium alloy substrate, isothermal oxidation test was performed in a conventional high-temperature resistance furnace at 600°C and 800°C respectively. The result shows that the laser clad intermetallic composite coating has a rapidly solidified fine microstructure consisting of TiN primary phase (granular-like, flake-like, and dendrites), and uniformly distributed in the Ti3Al matrix. It indicates that a physical and chemical reaction between the Ti powder and AlN powder occurred completely under the laser irradiation. In addition, the microhardness of the TiN/Ti3Al intermetallic matrix composite coating is 844HV0.2, 3.4 times higher than that of the titanium alloy substrate. The high-temperature oxidation resistance test reveals that TiN/Ti3Al intermetallic matrix composite coating results in the better modification of high-temperature oxidation behavior than the titanium substrate. The excellent high-temperature oxidation resistance of the laser cladding layer is attributed to the formation of the reinforced phase TiN and Al2O3, TiO2 hybrid oxide. Therefore, the laser cladding TiN/Ti3Al intermetallic matrix composite coating is anticipated to be a promising oxidation resistance surface modification technique for Ti6Al4V alloy.

Salt lakes of Western Australia - Natural abiotic formation of volatile organic compounds

NASA Astrophysics Data System (ADS)

Krause, T.; Studenroth, S.; Mulder, I.; Tubbesing, C.; Kotte, K.; Ofner, J.; Junkermann, W.; Schöler, H. F.

2012-04-01

Western Australia is a semi-/arid region that is heavily influenced by global climate change and agricultural land use. The area is known for its many ephemeral saline and hypersaline lakes with a wide range of hydrogeochemical parameters that have gradually changed over the last fifty years. Historically, the region was covered by eucalyptus trees and shrubs, but was cleared mainly within 10 years after WWII to make room for wheat and live stock. After the clearance of the deep rooted native plants the groundwater started to rise, bringing increased amounts of dissolved salts and minerals to the surface and discharging them into streams and lakes. Thus most of Western Australia is influenced by secondary salinisation (soil salting) [1]. Another problem is that the discharged minerals affect the pH of ground and surface water, which ranges from acidic to slightly basic. During the 2011 campaign surface water was measured with a pH between 2.5 and 7.1. Another phenomenon in Western Australia is the decrease of rainfall over the last decades assumed to be linked to the secondary salinisation. The rising saline and mineral rich groundwater increases the biotical and abiotical activity of the salt lakes. Halogenated and non-halogenated volatile organic compounds emitted from those lakes undergo fast oxidation and chemical reactions to form small particles modifying cloud microphysics and thus suppressing rain events [2]. Our objective is to gain a better understanding of this extreme environment with its hypersaline acidic lakes with regard to the potential abiotic formation of volatile organic compounds and its impact on the local climate. In spring 2011 fifty-three sediment samples from ten salt lakes in the Lake King region where taken, freeze-dried and ground. In order to simulate the abiotic formation of volatile organic compounds the soil samples were resuspended with water in gas-tight headspace vials. The headspace was measured using a purge and trap GC

Ammoxidation of Lignocellulosic Materials: Formation of Nonheterocyclic Nitrogenous Compounds from Monosaccharides

PubMed Central

2013-01-01

Ammoxidized technical lignins are valuable soil-improving materials that share many similarities with native terrestrial humic substances. In contrast to lignins, the chemical fate of carbohydrates as typical minor constituents of technical lignins during the ammoxidation processes has not been thoroughly investigated. Recently, we reported the formation of N-heterocyclic, ecotoxic compounds (OECD test 201) from both monosaccharides (d-glucose, d-xylose) and polysaccharides (cellulose, xylan) under ammoxidation conditions and showed that monosaccharides are a source more critical than polysaccharides in this respect. GC/MS-derivatization analysis of the crude product mixtures revealed that ammoxidation of carbohydrates which resembles the conditions encountered in nonenzymatical browning of foodstuff affords also a multitude of nonheterocyclic nitrogenous compounds such as aminosugars, glycosylamines, ammonium salts of aldonic, deoxyaldonic, oxalic and carbaminic acids, urea, acetamide, α-hydroxyamides, and even minor amounts of α-amino acids. d-Glucose and d-xylose afforded largely similar product patterns which differed from each other only for those products that were formed under preservation of the chain integrity and stereoconfiguration of the respective monosaccharide. The kinetics and reaction pathways involved in the formation of the different classes of nitrogenous compounds under ammoxidation conditions are discussed. PMID:23967905

Prediction of superconducting iron–bismuth intermetallic compounds at high pressure

PubMed Central

Amsler, Maximilian; Naghavi, S. Shahab

2017-01-01

The synthesis of materials in high-pressure experiments has recently attracted increasing attention, especially since the discovery of record breaking superconducting temperatures in the sulfur–hydrogen and other hydrogen-rich systems. Commonly, the initial precursor in a high pressure experiment contains constituent elements that are known to form compounds at ambient conditions, however the discovery of high-pressure phases in systems immiscible under ambient conditions poses an additional materials design challenge. We performed an extensive multi component ab initio structural search in the immiscible Fe–Bi system at high pressure and report on the surprising discovery of two stable compounds at pressures above ≈36 GPa, FeBi2 and FeBi3. According to our predictions, FeBi2 is a metal at the border of magnetism with a conventional electron–phonon mediated superconducting transition temperature of T c = 1.3 K at 40 GPa. PMID:28507678

Slater-Pauling behavior within quaternary intermetallic borides of the Ti{sub 3}Co{sub 5}B{sub 2} structure-type

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

Burghaus, Jens; Dronskowski, Richard, E-mail: drons@HAL9000.ac.rwth-aachen.d; Miller, Gordon J.

2009-10-15

First-principles, density-functional studies of several intermetallic borides of the general type M{sub 2}M'Ru{sub 5-n}Rh{sub n}B{sub 2} (n=0-5; M=Sc, Ti, Nb; M'=Fe, Co) show that the variation in saturation magnetic moment with valence-electron count follows a Slater-Pauling curve, with a maximum moment occurring typically at 66 valence electrons. The magnetic moments in these compounds occur primarily from the 3d electrons of the magnetically active M' sites, with some contribution from the Ru/Rh sites via magnetic polarization. Electronic DOS curves reveal that a rigid-band approach is a reasonable approximation for the estimation of saturation moments and the analysis of orbital interactions inmore » this family of complex borides. COHP analyses of the M'-M' orbital interactions indicate optimized interactions in the minority spin states for Co-containing phases, but strong bonding interactions remaining in Fe-containing phases. - Graphical abstract: Theoretically determined (spin-polarized LMTO-GGA) local magnetic moments as a function of the chemical valence Z for various intermetallic borides.« less

Atom probe tomography of intermetallic phases and interfaces formed in dissimilar joining between Al alloys and steel

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

Lemmens, B.

While Si additions to Al are widely used to reduce the thickness of the brittle intermetallic seam formed at the interface during joining of Al alloys to steel, the underlying mechanisms are not clarified yet. The developed approach for the site specific atom probe tomography analysis revealed Si enrichments at grain and phase boundaries between the θ (Fe{sub 4}Al{sub 13}) and η (Fe{sub 2}Al{sub 5}) phase, up to about ten times that of the concentration in Al. The increase in Si concentration could play an important role for the growth kinetics of the intermetallic phases formed for example in hot-dipmore » aluminizing of steel. - Highlights: •Si additions to Al reduce thickness of intermetallic seam in joining with steel. •Approach developed for the site specific APT analysis of the intermetallic seam •Si enrichment at grain and phase boundaries possibly affects growth of intermetallics.« less

Investigation of Y6Mn23 and YMn12 intermetallic alloys under high hydrogen pressure

NASA Astrophysics Data System (ADS)

Filipek, S. M.; Sato, R.; Kuriyama, N.; Tanaka, H.; Takeichi, N.

2010-03-01

Among three intermetallic compounds existing in Y-Mn system the YMn2 and Y6Mn23 can easily form interstitial hydrides while for YMn12 existence of hydride has never been reported. At moderate hydrogen pressure YMn2 and Y6Mn23 transform into YMn2H4.5 and Y6Mn23H25 respectively. At high hydrogen pressure the YMn2 (C15 or C14 parent structure) forms a unique YMn2H6 (s.g. Fm3m) complex hydride of fluorite structure in which one Mn atom Mn(1) and Y randomly occupy the 8c sites while second manganese (Mn2) in position 4a forms complex anion with 6 hydrogen atoms located in positions 24e. Formation of YMn2H6 independently of the structure of parent phase (C14 or C15) as well as occupation of the same site (8c) by Y and Mn(1) atoms suggested that also Y6Mn23 and YMn12 could transform into YMn2H6 - type hydride in which suitable number of Y atoms will be substituted by Mn(1) in the 8c positions. This assumption was confirmed by exposing R6Mn23 and RMn12 to 1 GPa of hydrogen pressure at 1000C. Formation of (RxMn2-x)MnH6 (where x = 18/29 or 3/13 for R6Mn23 and RMn12 hydrides respectively) was confirmed by XRD. Hydrogen concentration in both R6Mn23 and RMn12 based hydrides reached H/Me = 2 thus value two times higher than in R6Mn23H25.

Intermetallic Compound Growth between Electroless Nickel/Electroless Palladium/Immersion Gold Surface Finish and Sn-3.5Ag or Sn-3.0Ag-0.5Cu Solder

NASA Astrophysics Data System (ADS)

Oda, Yukinori; Fukumuro, Naoki; Yae, Shinji

2018-04-01

Using an electroless nickel/electroless palladium/immersion gold (ENEPIG) surface finish with a thick palladium-phosphorus (Pd-P) layer of 1 μm, the intermetallic compound (IMC) growth between the ENEPIG surface finish and lead-free solders Sn-3.5Ag (SA) or Sn-3.0Ag-0.5Cu (SAC) after reflow soldering and during solid-state aging at 150°C was investigated. After reflow soldering, in the SA/ENEPIG and SAC/ENEPIG interfaces, thick PdSn4 layers of about 2 μm to 3 μm formed on the residual Pd-P layers ( 0.5 μm thick). On the SA/ENEPIG interface, Sn was detected on the upper side of the residual Pd-P layer. On the SAC/ENEPIG interface, no Sn was detected in the residual Pd-P layer, and Cu was detected in the interface between the Pd-P and PdSn4 layers. After 300 h of aging at 150°C, the residual Pd-P layers had diffused completely into the solders. In the SA/ENEPIG interface, an IMC layer consisting of Ni3Sn4 and Ni3SnP formed between the PdSn4 layer and the nickel-phosphorus (Ni-P) layer, and a (Pd,Ni)Sn4 layer formed on the lower side of the PdSn4 layer. On the SAC/ENEPIG interface, a much thinner (Pd,Ni)Sn4 layer was observed, and a (Cu,Ni)6Sn5 layer was observed between the PdSn4 and Ni-P layers. These results indicate that Ni diffusion from the Ni-P layer to the PdSn4 layer produced a thick (Pd,Ni)Sn4 layer in the SA solder case, but was prevented by formation of (Cu,Ni)6Sn5 in the SAC solder case. This causes the difference in solder joint reliability between SA/ENEPIG and SAC/ENEPIG interfaces in common, thin Pd-P layer cases.

Organosulfate Formation through the Heterogeneous Reaction of Sulfur Dioxide with Unsaturated Compounds

NASA Astrophysics Data System (ADS)

George, C.; Passananti, M.; Kong, L.; Shang, J.; Perrier, S.; Jianmin, C.; Donaldson, D. J.

2016-12-01

The atmospheric formation of organosulfur derivatives through reaction with SO2 is generally mediated by oxidants such as O3, OH; recently we have proposed a direct reaction between SO2 and unsaturated compounds as another possible pathway for organosulfate formation in the troposphere. For the first time it was shown recently that a heterogeneous reaction between SO2 and oleic acid (OA; an unsaturated fatty acid) takes place and leads efficiently to the formation of organosulfur products. Here, we demonstrate that this reaction proceeds on various unsaturated compounds, and may therefore have a general environmental impact. We used different experimental strategies i.e., a coated flow tube (CFT), an aerosol flow tube (AFT) and a DRIFT (diffuse reflectance infrared Fourier transform) cell. The reaction products were analyzed by means of liquid chromatography coupled to a high resolution mass spectrometer (LC-HR-MS). We report indeed that SO2 reacts with large variety of C=C unsaturations and that even in the presence of ozone, SO2 reacts with OA leading to organosulfur products. A strong enhancement in product formation is observed under actinic illumination, increases the atmospheric significance of this chemical pathway. This is probably due to the chromophoric nature of the SO2 adduct with C=C bonds, and means that the contribution of this direct addition of SO2 could be in excess of 5%. The detection in atmospheric aerosols of organosulfur compounds with the same chemical formulae as the products identified here seems to confirm the importance of this reaction in the atmosphere.

Prediction of superconducting iron–bismuth intermetallic compounds at high pressure

DOE PAGES

Amsler, Maximilian; Naghavi, S. Shahab; Wolverton, Chris

2016-12-07

The synthesis of materials in high-pressure experiments has recently attracted increasing attention, especially since the discovery of record breaking superconducting temperatures in the sulfur–hydrogen and other hydrogen-rich systems. Commonly, the initial precursor in a high pressure experiment contains constituent elements that are known to form compounds at ambient conditions, however the discovery of high-pressure phases in systems immiscible under ambient conditions poses an additional materials design challenge. We performed an extensive multi component ab initio structural search in the immiscible Fe–Bi system at high pressure and report on the surprising discovery of two stable compounds at pressures above ≈36 GPa,more » FeBi 2 and FeBi 3. According to our predictions, FeBi 2 is a metal at the border of magnetism with a conventional electron–phonon mediated superconducting transition temperature of T c = 1.3 K at 40 GPa.« less

Surface improvement and biocompatibility of TiAl 24Nb 10 intermetallic alloy using rf plasma nitriding

NASA Astrophysics Data System (ADS)

Abd El-Rahman, A. M.; Maitz, M. F.; Kassem, M. A.; El-Hossary, F. M.; Prokert, F.; Reuther, H.; Pham, M. T.; Richter, E.

2007-09-01

The present work describes the surface improvement and biocompatibility of TiAl 24Nb 10 intermetallic alloy using rf plasma nitriding. The nitriding process was carried out at different plasma power from 400 W to 650 W where the other plasma conditions were fixed. Grazing incidence X-ray diffractometry (GIXRD), Auger electron spectroscopy (AES), tribometer and a nanohardness tester were employed to characterize the nitrided layer. Further potentiodynamic polarization method was used to describe the corrosion behavior of the un-nitrided and nitrided alloy. It has been found that the Vickers hardness (HV) and corrosion resistance values of the nitrided layers increase with increasing plasma power while the wear rates of the nitrided layers reduce by two orders of magnitude as compared to those of the un-nitrided layer. This improvement in surface properties of the intermetallic alloy is due to formation of a thin modified layer which is composed of titanium nitride in the alloy surface. Moreover, all modified layers were tested for their sustainability as a biocompatible material. Concerning the application area of biocompatibility, the present treated alloy show good surface properties especially for the nitrided alloy at low plasma power of 400 W.

Intermetallic nickel silicide nanocatalyst—A non-noble metal–based general hydrogenation catalyst

PubMed Central

Pohl, Marga-Martina; Agapova, Anastasiya

2018-01-01

Hydrogenation reactions are essential processes in the chemical industry, giving access to a variety of valuable compounds including fine chemicals, agrochemicals, and pharmachemicals. On an industrial scale, hydrogenations are typically performed with precious metal catalysts or with base metal catalysts, such as Raney nickel, which requires special handling due to its pyrophoric nature. We report a stable and highly active intermetallic nickel silicide catalyst that can be used for hydrogenations of a wide range of unsaturated compounds. The catalyst is prepared via a straightforward procedure using SiO2 as the silicon atom source. The process involves thermal reduction of Si–O bonds in the presence of Ni nanoparticles at temperatures below 1000°C. The presence of silicon as a secondary component in the nickel metal lattice plays the key role in its properties and is of crucial importance for improved catalytic activity. This novel catalyst allows for efficient reduction of nitroarenes, carbonyls, nitriles, N-containing heterocycles, and unsaturated carbon–carbon bonds. Moreover, the reported catalyst can be used for oxidation reactions in the presence of molecular oxygen and is capable of promoting acceptorless dehydrogenation of unsaturated N-containing heterocycles, opening avenues for H2 storage in organic compounds. The generality of the nickel silicide catalyst is demonstrated in the hydrogenation of over a hundred of structurally diverse unsaturated compounds. The wide application scope and high catalytic activity of this novel catalyst make it a nice alternative to known general hydrogenation catalysts, such as Raney nickel and noble metal–based catalysts. PMID:29888329

Intermetallic nickel silicide nanocatalyst-A non-noble metal-based general hydrogenation catalyst.

PubMed

Ryabchuk, Pavel; Agostini, Giovanni; Pohl, Marga-Martina; Lund, Henrik; Agapova, Anastasiya; Junge, Henrik; Junge, Kathrin; Beller, Matthias

2018-06-01

Hydrogenation reactions are essential processes in the chemical industry, giving access to a variety of valuable compounds including fine chemicals, agrochemicals, and pharmachemicals. On an industrial scale, hydrogenations are typically performed with precious metal catalysts or with base metal catalysts, such as Raney nickel, which requires special handling due to its pyrophoric nature. We report a stable and highly active intermetallic nickel silicide catalyst that can be used for hydrogenations of a wide range of unsaturated compounds. The catalyst is prepared via a straightforward procedure using SiO 2 as the silicon atom source. The process involves thermal reduction of Si-O bonds in the presence of Ni nanoparticles at temperatures below 1000°C. The presence of silicon as a secondary component in the nickel metal lattice plays the key role in its properties and is of crucial importance for improved catalytic activity. This novel catalyst allows for efficient reduction of nitroarenes, carbonyls, nitriles, N-containing heterocycles, and unsaturated carbon-carbon bonds. Moreover, the reported catalyst can be used for oxidation reactions in the presence of molecular oxygen and is capable of promoting acceptorless dehydrogenation of unsaturated N-containing heterocycles, opening avenues for H 2 storage in organic compounds. The generality of the nickel silicide catalyst is demonstrated in the hydrogenation of over a hundred of structurally diverse unsaturated compounds. The wide application scope and high catalytic activity of this novel catalyst make it a nice alternative to known general hydrogenation catalysts, such as Raney nickel and noble metal-based catalysts.

Energetics of defects formation and oxygen migration in pyrochlore compounds from first principles calculations

NASA Astrophysics Data System (ADS)

Li, Yan; Kowalski, Piotr M.

2018-07-01

In order to get better understanding of the selective order-disorder transition in pyrochlore compounds, using ab initio methods we calculated the formation energies of coupled cation anti-site and anion Frenkel pair defects and the energy barriers for the oxygen migration for number of families of A2B2 O7 pyrochlore-type compounds. While these parameters have been previously computed with force field-based methods, the ab initio results provide more reliable values that can be confidently used in subsequent analysis. We found a fairly good correlation between the formation energies of the coupled defects and the stability field of pyrochlores. In line with previous studies, the compounds that crystallize in defect fluorite structure are found to have smaller values of coupled defect formation energies than those crystallizing in the pyrochlore phase, although the correlation is not that sharp as in the case of isolated anion Frenkel pair defect. The investigation of the energy barriers for the oxygen migration shows that it is not a good, sole indicator of the tendency of the order-disorder phase transition in pyrochlores. However, we found that the oxygen migration barrier is reduced in the presence of the cation antisite defect. This points at disordering-induced enhancement of oxygen diffusion in pyrochlore compounds.

Systematic assessment of scaffold hopping versus activity cliff formation across bioactive compound classes following a molecular hierarchy.

PubMed

Stumpfe, Dagmar; Dimova, Dilyana; Bajorath, Jürgen

2015-07-01

Scaffold hopping and activity cliff formation define opposite ends of the activity landscape feature spectrum. To rationalize these events at the level of scaffolds, active compounds involved in scaffold hopping were required to contain topologically distinct scaffolds but have only limited differences in potency, whereas compounds involved in activity cliffs were required to share the same scaffold but have large differences in potency. A systematic search was carried out for compounds involved in scaffold hopping and/or activity cliff formation. Results obtained for compound data sets covering more than 300 human targets revealed clear trends. If scaffolds represented multiple but fewer than 10 active compounds, nearly 90% of all scaffolds were exclusively involved in hopping events. With increasing compound coverage, the fraction of scaffolds involved in both scaffold hopping and activity cliff formation significantly increased to more than 50%. However, ∼40% of the scaffolds representing large numbers of active compounds continued to be exclusively involved in scaffold hopping. More than 200 scaffolds with broad target coverage were identified that consistently represented potent compounds and yielded an abundance of scaffold hops in the low-nanomolar range. These and other subsets of scaffolds we characterized are of prime interest for structure-activity relationship (SAR) exploration and compound design. Therefore, the complete scaffold classification generated in the course of our analysis is made freely available. Copyright © 2015 Elsevier Ltd. All rights reserved.

Synthesis and characterization of Fe-Ti-Sb intermetallic compounds: Discovery of a new Slater-Pauling phase

NASA Astrophysics Data System (ADS)

Naghibolashrafi, N.; Keshavarz, S.; Hegde, Vinay I.; Gupta, A.; Butler, W. H.; Romero, J.; Munira, K.; LeClair, P.; Mazumdar, D.; Ma, J.; Ghosh, A. W.; Wolverton, C.

2016-03-01

Compounds of Fe, Ti, and Sb were prepared using arc melting and vacuum annealing. Fe2TiSb , expected to be a full Heusler compound crystallizing in the L 21 structure, was shown by XRD and SEM analyses to be composed of weakly magnetic grains of nominal composition Fe1.5TiSb with iron-rich precipitates in the grain boundaries. FeTiSb, a composition consistent with the formation of a half-Heusler compound, also decomposed into Fe1.5TiSb grains with Ti-Sb rich precipitates and was weakly magnetic. The dominant Fe1.5TiSb phase appears to crystallize in a defective L 21 -like structure with iron vacancies. Based on this finding, a first-principles DFT-based binary cluster expansion of Fe and vacancies on the Fe sublattice of the L 21 structure was performed. Using the cluster expansion, we computationally scanned >103 configurations and predict a novel, stable, nonmagnetic semiconductor phase to be the zero-temperature ground state. This new structure is an ordered arrangement of Fe and vacancies, belonging to the space group R 3 m , with composition Fe1.5TiSb , i.e., between the full- and half-Heusler compositions. This phase can be visualized as alternate layers of L 21 phase Fe2TiSb and C 1b phase FeTiSb, with layering along the [111] direction of the original cubic phases. Our experimental results on annealed samples support this predicted ground-state composition, but further work is required to confirm that the R 3 m structure is the ground state.

In-situ synchrotron micro-diffraction study of surface, interface, grain structure, and strain/stress evolution during Sn whisker/hillock formation

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

Pei, Fei; Jadhav, Nitin; Buchovecky, Eric

2016-03-14

We have performed X-ray synchrotron micro-diffraction measurements to study the processes controlling the formation of hillocks and whiskers in Sn layers on Cu. The studies were done in real-time on Sn layers that were electro-deposited immediately before the X-ray measurements were started. This enabled a region of the sample to be monitored from the as-deposited state until after a hillock feature formed. In addition to measuring the grain orientation and deviatoric strain (via Laue diffraction), the X-ray fluorescence was monitored to quantify the evolution of the Sn surface morphology and the formation of intermetallic compound (IMC) at the Sn-Cu interface.more » The results capture the simultaneous growth of the feature and the corresponding film stress, grain orientation, and IMC formation. The observations are compared with proposed mechanisms for whisker/hillock growth and nucleation.« less

Metal- and intermetallic-matrix composites for aerospace propulsion and power systems

NASA Astrophysics Data System (ADS)

Doychak, J.

1992-06-01

Successful development and deployment of metal-matrix composites and intermetallic- matrix composites are critical to reaching the goals of many advanced aerospace propulsion and power development programs. The material requirements are based on the aerospace propulsion and power system requirements, economics, and other factors. Advanced military and civilian aircraft engines will require higher specific strength materials that operate at higher temperatures, and the civilian engines will also require long lifetimes. The specific space propulsion and power applications require hightemperature, high-thermal-conductivity, and high-strength materials. Metal-matrix composites and intermetallic-matrix composites either fulfill or have the potential of fulfilling these requirements.

Formation, transformation and superhydrophobicity of compound surfactant-assisted aligned ZnO nanoplatelets

NASA Astrophysics Data System (ADS)

Xue, Mingshan; Xu, Tao; Xie, Xiaolin; Ou, Junfei; Wang, Fajun; Li, Wen

2015-11-01

Synthesis and understanding of hierarchically nanostructured materials are significant for exploring peculiar functional properties and underlying applications. In this study, the self-assembly formation and detailed transformation process of ZnO nanoplatelets grown by hydrothermal methods with the addition of compound surfactants (CTAB and Tween-20) have been investigated. The initial growth of ZnO nanoplatelets as well as the subsequent formation of bilayer nanorod arrays and divergent nanocone arrays on the surface and side face of these nanoplatelets were found. Compared with the formation of bulk/block crystals without the case of surfactants, the addition of compound surfactants into zinc nitrate solution is responsible for the self-assembly processes of ZnO because of the effective role of CTAB in decreasing the degree of crystallinity and the positive effect of Tween-20 on decreasing the particle size owing to the space hindered effect. As-formed hierarchically micro-nanostructured ZnO exhibits superhydrophobicity without any chemical modification, which can make water droplets suspend on the air film trapped between the nanoplatelet and nanoplatelet as well as between nanocone and nanocone.

Volatile compounds formation in alcoholic fermentation from grapes collected at 2 maturation stages: influence of nitrogen compounds and grape variety.

PubMed

Martínez-Gil, Ana M; Garde-Cerdán, Teresa; Lorenzo, Cándida; Lara, José Félix; Pardo, Francisco; Salinas, M Rosario

2012-01-01

The aim of this work was to study the influence of nitrogen compounds on the formation of volatile compounds during the alcoholic fermentation carried out with 4 nonaromatic grape varieties collected at 2 different maturation stages. To do this, Monastrell, Merlot, Syrah, and Petit Verdot grapes were collected 1 wk before harvest and at harvest. Then, the musts were inoculated with the same Saccharomyces cerevisiae yeast strain and were fermented in the same winemaking conditions. Amino acids that showed the highest and the lowest concentration in the must were the same, regardless of the grape variety and maturation stage. Moreover, the consumption of amino acids during the fermentation increased with their concentration in the must. The formation of volatile compounds was not nitrogen composition dependent. However, the concentration of amino acids in the must from grapes collected 1 wk before harvest can be used as a parameter to estimate the concentration of esters in wines from grapes collected at harvest and therefore to have more information to know the grape oenological capacity. Application of principal components analysis (PCA) confirmed the possibility to estimate the concentration of esters in the wines with the concentration of nitrogen compounds in the must. © 2011 Institute of Food Technologists®

Monitoring the apple polyphenol oxidase-modulated adduct formation of phenolic and amino compounds.

PubMed

Reinkensmeier, Annika; Steinbrenner, Katrin; Homann, Thomas; Bußler, Sara; Rohn, Sascha; Rawel, Hashadrai M

2016-03-01

Minimally processed fruit products such as smoothies are increasingly coming into demand. However, they are often combined with dairy ingredients. In this combination, phenolic compounds, polyphenoloxidases, and amino compounds could interact. In this work, a model approach is presented where apple serves as a source for a high polyphenoloxidase activity for modulating the reactions. The polyphenoloxidase activity ranged from 128 to 333nakt/mL in different apple varieties. From these, 'Braeburn' was found to provide the highest enzymatic activity. The formation and stability of resulting chromogenic conjugates was investigated. The results show that such adducts are not stable and possible degradation mechanisms leading to follow-up products formed are proposed. Finally, apple extracts were used to modify proteins and their functional properties characterized. There were retaining antioxidant properties inherent to phenolic compounds after adduct formation. Consequently, such interactions may also be utilized to improve the textural quality of food products. Copyright © 2015 Elsevier Ltd. All rights reserved.

Phase transition of intermetallic TbPt at high temperature and high pressure

NASA Astrophysics Data System (ADS)

Qin, Fei; Wu, Xiang; Yang, Ke; Qin, Shan

2018-04-01

Here we present synchrotron-based x-ray diffraction experiments combined with diamond anvil cell and laser heating techniques on the intermetallic rare earth compound TbPt (Pnma and Z  =  4) up to 32.5 GPa and ~1800 K. The lattice parameters of TbPt exhibit continuous compression behavior up to 18.2 GPa without any evidence of phase transformation. Pressure-volume data were fitted to a third-order Birch-Murnaghan equation of state with V 0  =  175.5(2) Å3, {{K}{{T0}}}   =  110(5) GPa and K{{T0}}\\prime   =  3.8(7). TbPt exhibits anisotropic compression with β a   >  β b   >  β c and the ratio of axial compressibility is 2.50:1.26:1.00. A new monoclinic phase of TbPt assigned to the Pc or P2/c space group was observed at 32.5 GPa after laser heating at ~1800 K. This new phase is stable at high pressure and presented a quenchable property on decompression to ambient conditions. The pressure-volume relationship is well described by the second-order Birch-Murnaghan equation of state, which yields V 0  =  672(4) Å3, {{K}{{T0}}}   =  123(6) GPa, which is about ~14% more compressible than the orthorhombic TbPt. Our results provide more information on the structure and elastic property view, and thus a better understanding of the physical properties related to magnetic structure in some intermetallic rare earth alloys.

3D study of intermetallics and their effect on the corrosion morphology of rheocast aluminium alloy

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

Mingo, B.; Arrabal, R., E-mail: rarrabal@ucm.es; Pardo, A.

In the present study, the effect of heat treatment T6.1 on the microstructure and corrosion behaviour of rheocast aluminium alloy A356 is investigated on the basis of 2D/3D characterization techniques and electrochemical and SKPFM measurements. Heat treatment strengthens the α-Al matrix, modifies the intermetallic particles and spheroidizes eutectic Si. These changes do not modify significantly the corrosion behaviour of the alloy. 3D SEM-Tomography clearly shows that the corrosion advances in the shape of narrow paths between closely spaced intermetallics without a major influence of eutectic Si. - Highlights: • T6.1 spheroidizes Si, strengthens the matrix and modifies the intermetallics. •more » Electrochemical behaviour of untreated and heat-treated alloys is similar. • 3D SEM-Tomography provides additional information on the corrosion morphology. • Corrosion advances as paths between intermetallics with little influence of Si.« less

AN ATTEMPT TO LOCATE INTERMETALLIC PARTICLES IN ZIRCONIUM ALLOYS USING A BITTER FIGURE TECHNIQUE

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

Cox, B.; Harder, B.R.

1961-10-01

The compound ZrFe/sub 2/ is known to be ferromagnetic, and an attempt to locate particles of magnetic material in zircaloy-2 and dilute Zr- Fe alloys by a Bitter figure technlque is described. An Fe/sub 3/O/sub 4/ sol in water-soluble plastic was used to prepare Bitter figures of the alloy surfaces in the form of replicas, which were then examined in an electron microscope. No magnetic particles were located in either zircaloy-2 or a Zr-O.3% Fe alloy. Subsequent work on specimens of ZrFe/sub 2/ showed that the failure to detect it in the dilute alloys arose because the size of themore » intermetallic particles in the latter was smaller than the size of the magnetic domains. (auth)« less

Compound-Specific Isotopic Analysis of Meteoritic Amino Acids as a Tool for Evaluating Potential Formation Pathways

NASA Technical Reports Server (NTRS)

Elsila, Jamie E.; Burton, Aaron S.; Callahan, Michael C.; Charnley, Steven B.; Glavin, Daniel P.; Dworkin, Jason P.

2012-01-01

Measurements of stable hydrogen, carbon, and nitrogen isotopic ratios (delta D, delta C-13, delta N-15) of organic compounds can reveal information about their origin and formation pathways. Several formation mechanisms and environments have been postulated for the amino acids detected in carbonaceous chondrites. As each proposed mechanism utilizes different precursor molecules, the isotopic signatures of the resulting amino acids may point towards the most likely of these proposed pathways. The technique of gas chromatography coupled with mass spectrometry and isotope ratio mass spectrometry provides compound-specific structural and isotopic information from a single splitless injection, enhancing the amount of information gained from small amounts of precious samples such as carbonaceous chondrites. We have applied this technique to measure the compound-specific C, N, and H isotopic ratios of amino acids from seven CM and CR carbonaceous chondrites. We are using these measurements to evaluate predictions of expected isotopic enrichments from potential formation pathways and environments, leading to a better understanding of the origin of these compounds.

Beneficial Role of Copper in the Enhancement of Durability of Ordered Intermetallic PtFeCu Catalyst for Electrocatalytic Oxygen Reduction.

PubMed

Arumugam, Balamurugan; Tamaki, Takanori; Yamaguchi, Takeo

2015-08-05

Design of Pt alloy catalysts with enhanced activity and durability is a key challenge for polymer electrolyte membrane fuel cells. In the present work, we compare the durability of the ordered intermetallic face-centered tetragonal (fct) PtFeCu catalyst for the oxygen reduction reaction (ORR) relative to its counterpart bimetallic catalysts, i.e., the ordered intermetallic fct-PtFe catalyst and the commercial catalyst from Tanaka Kikinzoku Kogyo, TKK-PtC. Although both fct catalysts initially exhibited an ordered structure and mass activity approximately 2.5 times higher than that of TKK-Pt/C, the presence of Cu at the ordered intermetallic fct-PtFeCu catalyst led to a significant enhancement in durability compared to that of the ordered intermetallic fct-PtFe catalyst. The ordered intermetallic fct-PtFeCu catalyst retained more than 70% of its mass activity and electrochemically active surface area (ECSA) over 10 000 durability cycles carried out at 60 °C. In contrast, the ordered intermetallic fct-PtFe catalyst maintained only about 40% of its activity. The temperature of the durability experiment is also shown to be important: the catalyst was more severely degraded at 60 °C than at room temperature. To obtain insight into the observed enhancement in durability of fct-PtFeCu catalyst, a postmortem analysis of the ordered intermetallic fct-PtFeCu catalyst was carried out using scanning transmission electron microscopy-energy dispersive X-ray spectroscopy (STEM-EDX) line scan. The STEM-EDX line scans of the ordered intermetallic fct-PtFeCu catalyst over 10 000 durability cycles showed a smaller degree of Fe and Cu dissolution from the catalyst. Conversely, large dissolution of Fe was identified in the ordered intermetallic fct-PtFe catalyst, indicating a lesser retention of Fe that causes the destruction of ordered structure and gives rise to poor durability. The enhancement in the durability of the ordered intermetallic fct-PtFeCu catalyst is ascribed to

Joining of Aluminium Alloy and Steel by Laser Assisted Reactive Wetting

NASA Astrophysics Data System (ADS)

Liedl, Gerhard; Vázquez, Rodrigo Gómez; Murzin, Serguei P.

2018-03-01

Compounds of dissimilar materials, like aluminium and steel offer an interesting opportunity for the automotive industry to reduce the weight of a car body. Thermal joining of aluminium and steel leads to the formation of brittle intermetallic compounds, which negatively affects the properties of the welded joint. Amongst others, growth of such intermetallic compounds depends on maximum temperature and on the time at certain temperatures. Laser welding with its narrow well seam and its fast heating and cooling cycles provides an excellent opportunity to obtain an ultrathin diffusion zone. Joining of sheet metal DC01 with aluminium alloy AW6016 has been chosen for research. The performed experimental studies showed that by a variation of the beam power and scanning speed it is possible to obtain an ultrathin diffusion zone with narrow intermetallic interlayers. With the aim of supporting further investigation of laser welding of the respective and other dissimilar pairings a multi-physical simulation model has been developed.

Can Dietary Polyphenols Prevent the Formation of Toxic Compounds from Maillard Reaction?

PubMed

Del Turco, Serena; Basta, Giuseppina

2016-01-01

Polyphenols are functional compounds in edible vegetable and food such as tea, coffee and red wine and increasing evidence demonstrates a positive link between consumption of polyphenol-rich foods and disease prevention. In this review we have focused on the current knowledge of the potential anti-glycation effects of polyphenols, particularly in regard to their influence on Maillard reaction, a non-enzymatic reaction between amino acids and reducing sugars that contributes to the production of toxic compounds, mainly reactive carbonyl species, advanced glycation end-products (AGEs) and other toxicants. The Maillard reaction occurs in the human body during hyperglycemic condition, but it is well known as browning reaction in thermally processed foods and it is responsible for flavor and toxicant formation. Dietary polyphenols can have anti-glycation effects and actively participate in Maillard reaction, mitigating the AGE formation and the heat-induced production of toxic compounds. In a time in which the role of a healthy diet in the prevention of chronic diseases is welcome and the borderline between food and medicine is becoming very thin, an improved mechanistic knowledge of how polyphenols can function to reduce harmful and unhealthy substances is mandatory.

Friction Stir Welding of Al-Cu Bilayer Sheet by Tapered Threaded Pin: Microstructure, Material Flow, and Fracture Behavior

NASA Astrophysics Data System (ADS)

Beygi, R.; Kazeminezhad, M.; Kokabi, A. H.; Loureiro, A.

2015-06-01

The fracture behavior and intermetallic formation are investigated after friction stir welding of Al-Cu bilayer sheets performed by tapered threaded pin. To do so, temperature, axial load, and torque measurements during welding, and also SEM and XRD analyses and tensile tests on the welds are carried out. These observations show that during welding from Cu side, higher axial load and temperature lead to formation of different kinds of Al-Cu intermetallics such as Al2Cu, AlCu, and Al4Cu9. Also, existence of Al(Cu)-Al2Cu eutectic structures, demonstrates liquation during welding. The presence of these intermetallics leads to highly brittle fracture and low strength of the joints. In samples welded from Al side, lower axial load and temperature are developed during welding and no intermetallic compound is observed which results in higher strength and ductility of the joints in comparison with those welded from Cu side.

An ab-initio investigation on SrLa intermetallic compound

NASA Astrophysics Data System (ADS)

Kumar, S. Ramesh; Jaiganesh, G.; Jayalakshmi, V.

2018-05-01

The electronic, elastic and thermodynamic property of CsCl-type SrLa are investigated through density functional theory. The energy-volume relation for this compound has been obtained. The band structure, density of states and charge density in (110) plane are also examined. The elastic constants (C11, C12 and C44) of SrLa is computed, then, using these elastic constants, the bulk moduli, shear moduli, Young's moduli and Poisson's ratio are also derived. The calculated results showed that CsCl-type SrLa is ductile at ambient conditions. The thermodynamic quantities such as free energy, entropy and heat capacity as a function of temperature are estimated and the results obtained are discussed.

Cerium-based, intermetallic-strengthened aluminum casting alloy: High-volume co-product development

DOE PAGES

Sims, Zachary C.; Weiss, David; McCall, S. K.; ...

2016-05-23

Here, several rare earth elements are considered by-products to rare earth mining efforts. By using one of these by-product elements in a high-volume application such as aluminum casting alloys, the supply of more valuable rare earths can be globally stabilized. Stabilizing the global rare earth market will decrease the long-term criticality of other rare earth elements. The low demand for Ce, the most abundant rare earth, contributes to the instability of rare earth extraction. In this article, we discuss a series of intermetallic-strengthened Al alloys that exhibit the potential for new high-volume use of Ce. The castability, structure, and mechanicalmore » properties of binary, ternary, and quaternary Al-Ce based alloys are discussed. We have determined Al-Ce based alloys to be highly castable across a broad range of compositions. Nanoscale intermetallics dominate the microstructure and are the theorized source of the high ductility. In addition, room-temperature physical properties appear to be competitive with existing aluminum alloys with extended high-temperature stability of the nanostructured intermetallic.« less

Core–shell PdPb@Pd aerogels with multiply-twinned intermetallic nanostructures: facile synthesis with accelerated gelation kinetics and their enhanced electrocatalytic properties

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

Zhu, Chengzhou; Shi, Qiurong; Fu, Shaofang

Delicately engineering the well-defined noble metal aerogels with favorable structural and compositional features is of vital importance for wide applications. Here, we reported one-pot and facile method for synthesizing core-shell PdPb@Pd hydrogels/aerogels with multiply-twinned grains and ordered intermetallic phase using sodium hypophosphite as a multifunctional reducing agent. Due to the accelerated gelation kinetics induced by increased reaction temperature and specific function of sodium hypophosphite, the formation of hydrogels can be completed within 4 hrs, far faster than the previous reports. Owe to their unique porous structure and favorable geometric and electronic effects, the optimized PdPb@Pd aerogels exhibit enhanced electrochemical performancemore » towards ethylene glycol oxidation with a mass activity of 5.8 times higher than Pd black.Core–shell PdPb@Pd aerogels with multiply-twinned grains and an ordered intermetallic phase was synthesized, which exhibited good electrocatalytic activity towards ethanol oxidation.« less

Solder/Substrate Interfacial Reactions in the Sn-Cu-Ni Interconnection System

NASA Astrophysics Data System (ADS)

Yu, H.; Vuorinen, V.; Kivilahti, J. K.

2007-02-01

In order to obtain a better understanding of the effects of interconnection microstructures on the reliability of soldered assemblies, one of the most important ternary systems used in electronics, the Sn-Cu-Ni system, has been assessed thermodynamically. Based on the data obtained, some recent experimental observations related to the formation of interfacial intermetallic compounds in solder interconnections have been studied analytically. First, the effect of Cu content on the formation of the interfacial intermetallic compounds between the SnAgCu solder alloys and Ni substrate was investigated. The critical Cu content for (Cu,Ni)6Sn5 formation was evaluated as a function of temperature. Second, we analyzed how the Ni dissolved in the Cu6Sn5 compound affects the driving forces for the diffusion of components and hence the growth kinetics of (Cu,Ni)6Sn5 and (Cu,Ni)3Sn reaction layers. With the thermodynamic description, other experimental observations related to the Sn-Cu-Ni system can be rationalized as well. The system can be used also as a subsystem for industrially important higher order solder systems.

N-nitrosodimethylamine (NDMA) formation during ozonation of N,N-dimethylhydrazine compounds: Reaction kinetics, mechanisms, and implications for NDMA formation control.

PubMed

Lim, Sungeun; Lee, Woongbae; Na, Soyoung; Shin, Jaedon; Lee, Yunho

2016-11-15

Compounds with N,N-dimethylhydrazine moieties ((CH 3 ) 2 N-N-) form N-nitrosodimethylamine (NDMA) during ozonation, but the relevant reaction chemistry is hitherto poorly understood. This study investigated the reaction kinetics and mechanisms of NDMA formation during ozonation of unsymmetrical dimethylhydrazine (UDMH) and daminozide (DMZ) as structural model N,N-dimethylhydrazine compounds. The reaction of ozone with these NDMA precursor compounds was fast, and k O3 at pH 7 was 2 × 10 6  M -1  s -1 for UDMH and 5 × 10 5  M -1  s -1 for DMZ. Molar NDMA yields (i.e., Δ[NDMA]/Δ[precursor] × 100) were 84% and 100% for UDMH and DMZ, respectively, determined at molar ozone dose ratio ([O 3 ] 0 /[precursor] 0 ) of ≥4 in the presence of tert-butanol as hydroxyl radical (OH) scavenger. The molar NDMA yields decreased significantly in the absence of tert-butanol, indicating OH formation and its subsequent reaction with the parent precursors forming negligible NDMA. The k OH at pH 7 was 4.9 × 10 9  M -1  s -1 and 3.4 × 10 9  M -1  s -1 for UDMH and DMZ, respectively. Reaction mechanisms are proposed in which an ozone adduct is formed at the nitrogen next to N,N-dimethylamine which decomposes via homolytic and heterolytic cleavages of the -N + -O-O-O - bond, forming NDMA as a final product. The heterolytic cleavage pathway explains the significant OH formation via radical intermediates. Overall, significant NDMA formation was found to be unavoidable during ozonation or even O 3 /H 2 O 2 treatment of waters containing N,N-dimethylhydrazine compounds due to their rapid reaction with ozone forming NDMA with high yield. Thus, source control or pre-treatment of N,N-dimethylhydrazine precursors and post-treatment of NDMA are proposed as the mitigation options. Copyright © 2016 Elsevier Ltd. All rights reserved.

Deposit formation in liquid fuels. III - The effect of selected nitrogen compounds on diesel fuel

NASA Technical Reports Server (NTRS)

Worstell, J. H.; Daniel, S. R.; Frauenhoff, G.

1981-01-01

The influence of substituted quinolines, pyrroles, indoles, and pyridines on deposit formation in a diesel fuel is evaluated. Significant increases in deposition rate are found which are dependent upon the basicity of the nitrogen compound within a given compound class. These effects correspond closely with those produced in a Jet A fuel. Removal of highly polar fuel components renders the nitrogen compound influence inoperative. These components are therefore participants in deposit-forming reactions.

Self-Supported Mesostructured Pt-Based Bimetallic Nanospheres Containing an Intermetallic Phase as Ultrastable Oxygen Reduction Electrocatalysts.

PubMed

Kim, Ho Young; Cho, Seonghun; Sa, Young Jin; Hwang, Sun-Mi; Park, Gu-Gon; Shin, Tae Joo; Jeong, Hu Young; Yim, Sung-Dae; Joo, Sang Hoon

2016-10-01

Developing highly active and stable cathode catalysts is of pivotal importance for proton exchange membrane fuel cells (PEMFCs). While carbon-supported nanostructured Pt-based catalysts have so far been the most active cathode catalysts, their durability and single-cell performance are yet to be improved. Herein, self-supported mesostructured Pt-based bimetallic (Meso-PtM; M = Ni, Fe, Co, Cu) nanospheres containing an intermetallic phase are reported, which can combine the beneficial effects of transition metals (M), an intermetallic phase, a 3D interconnected framework, and a mesoporous structure. Meso-PtM nanospheres show enhanced oxygen reduction reaction (ORR) activity, compared to Pt black and Pt/C catalysts. Notably, Meso-PtNi containing an intermetallic phase exhibits ultrahigh stability, showing enhanced ORR activity even after 50 000 potential cycles, whereas Pt black and Pt/C undergo dramatic degradation. Importantly, Meso-PtNi with an intermetallic phase also demonstrated superior activity and durability when used in a PEMFC single-cell, with record-high initial mass and specific activities. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electron density determination and bonding in tetragonal binary intermetallics by convergent beam electron diffraction

NASA Astrophysics Data System (ADS)

Sang, Xiahan

Intermetallics offer unique property combinations often superior to those of more conventional solid solution alloys of identical composition. Understanding of bonding in intermetallics would greatly accelerate development of intermetallics for advanced and high performance engineering applications. Tetragonal intermetallics L10 ordered TiAl, FePd and FePt are used as model systems to experimentally measure their electron densities using quantitative convergent beam electron diffraction (QCBED) method and then compare details of the 3d-4d (FePd) and 3d-5d (FePt) electron interactions to elucidate their role on properties of the respective ferromagnetic L10-ordered intermetallics FePd and FePt. A new multi-beam off-zone axis condition QCBED method has been developed to increase sensitivity of CBED patterns to change of structure factors and the anisotropic Debye-Waller (DW) factors. Unprecedented accuracy and precision in structure and DW factor measurements has been achieved by acquiring CBED patterns using beam-sample geometry that ensures strong dynamical interaction between the fast electrons and the periodic potential in the crystalline samples. This experimental method has been successfully applied to diamond cubic Si, and chemically ordered B2 cubic NiAl, tetragonal L10 ordered TiAl and FePd. The accurate and precise experimental DW and structure factors for L10 TiAl and FePd allow direct evaluation of computer calculations using the current state of the art density functional theory (DFT) based electron structure modeling. The experimental electron density difference map of L1 0 TiAl shows that the DFT calculations describe bonding to a sufficient accuracy for s- and p- electrons interaction, e. g., the Al-layer. However, it indicate significant quantitative differences to the experimental measurements for the 3d-3d interactions of the Ti atoms, e.g. in the Ti layers. The DFT calculations for L10 FePd also show that the current DFT approximations

Intermetallic Growth Induced Large-Scale Void Growth and Cracking Failure in Line-Type Cu/Solder/Cu Joints Under Current Stressing

NASA Astrophysics Data System (ADS)

Chen, Zhuo; Tian, Wenya; Li, Junhui; Zhu, Wenhui

2018-04-01

In order to study the electromigration (EM) behavior of solder joints in electronics packaging, especially under high-current and high-temperature working conditions, line-type Cu/solder/Cu butting samples were prepared to observe the microstructural evolution under 1.0 × 104 A/cm2 current stressing. A prominent polarity effect was found such that the Cu6Sn5 intermetallic compound (IMC) layer at the anode side, which thickened linearly with time, was much thicker than that at the cathode side. Compared to the samples subjected to thermal aging at the same temperature of 180°C, EM enhanced the Cu3Sn growth at both the anode and the cathode. Two distinct types of damage were observed after extended duration of current stressing. Back-flow of Cu into Cu3Sn was found at the Cu3Sn/Cu6Sn5 interface of the anode side, causing large voids, while strip cracks developed at the cathode solder/Cu6Sn5 interface, causing a significant increase of joint electrical resistance. With the mass transport characteristics that determine the IMC growth and vacancy accumulation analyzed in detail at each interface, formation mechanisms of the two types of damages are discussed.

Modelling the contribution of biogenic volatile organic compounds to new particle formation in the Jülich plant atmosphere chamber

NASA Astrophysics Data System (ADS)

Roldin, P.; Liao, L.; Mogensen, D.; Dal Maso, M.; Rusanen, A.; Kerminen, V.-M.; Mentel, T. F.; Wildt, J.; Kleist, E.; Kiendler-Scharr, A.; Tillmann, R.; Ehn, M.; Kulmala, M.; Boy, M.

2015-09-01

We used the Aerosol Dynamics gas- and particle-phase chemistry model for laboratory CHAMber studies (ADCHAM) to simulate the contribution of BVOC plant emissions to the observed new particle formation during photooxidation experiments performed in the Jülich Plant-Atmosphere Chamber and to evaluate how well smog chamber experiments can mimic the atmospheric conditions during new particle formation events. ADCHAM couples the detailed gas-phase chemistry from Master Chemical Mechanism with a novel aerosol dynamics and particle phase chemistry module. Our model simulations reveal that the observed particle growth may have either been controlled by the formation rate of semi- and low-volatility organic compounds in the gas phase or by acid catalysed heterogeneous reactions between semi-volatility organic compounds in the particle surface layer (e.g. peroxyhemiacetal dimer formation). The contribution of extremely low-volatility organic gas-phase compounds to the particle formation and growth was suppressed because of their rapid and irreversible wall losses, which decreased their contribution to the nano-CN formation and growth compared to the atmospheric situation. The best agreement between the modelled and measured total particle number concentration (R2 > 0.95) was achieved if the nano-CN was formed by kinetic nucleation involving both sulphuric acid and organic compounds formed from OH oxidation of BVOCs.

Effects of post-reflow cooling rate and thermal aging on growth behavior of interfacial intermetallic compound between SAC305 solder and Cu substrate

NASA Astrophysics Data System (ADS)

Hu, Xiaowu; Xu, Tao; Jiang, Xiongxin; Li, Yulong; Liu, Yi; Min, Zhixian

2016-04-01

The interfacial reactions between Cu and Sn3Ag0.5Cu (SAC305) solder reflowed under various cooling rates were investigated. It is found that the cooling rate is an important parameter in solder reflow process because it influences not only microstructure of solder alloy but also the morphology and growth of intermetallic compounds (IMCs) formed between solder and Cu substrate. The experimental results indicate that only scallop-like Cu6Sn5 IMC layer is observed between solder and Cu substrate in case of water cooling and air cooling, while bilayer composed of scallop-like Cu6Sn5 and thin layer-like Cu3Sn is detected under furnace cooling due to sufficient reaction time to form Cu3Sn between Cu6Sn5 IMC and Cu substrate which resulted from slow cooling rate. Samples with different reflow cooling rates were further thermal-aged at 423 K. And it is found that the thickness of IMC increases linearly with square root of aging time. The growth constants of interfacial IMC layer during aging were obtained and compared for different cooling rates, indicating that the IMC layer thickness increased faster in samples under low cooling rate than in the high cooling rate under the same aging condition. The long prismatic grains were formed on the existing interfacial Cu6Sn5 grains to extrude deeply into solder matrix with lower cooling rate and long-term aging, and the Cu6Sn5 grains coarsened linearly with cubic root of aging time.

Formation of volatile sulfur compounds and metabolism of methionine and other sulfur compounds in fermented food.

PubMed

Landaud, Sophie; Helinck, Sandra; Bonnarme, Pascal

2008-01-01

The formation of volatile sulfur compounds (VSC) in fermented food is a subject of interest. Such compounds are essential for the aroma of many food products like cheeses or fermented beverages, in which they can play an attractive or a repulsive role, depending on their identity and their concentration. VSC essentially arise from common sulfur-bearing precursors, methionine being the most commonly found. In the first section of this paper, the main VSC found in cheese, wine, and beer are reviewed. It is shown that a wide variety of VSC has been evidenced in these food products. Because of their low odor threshold and flavor notes, these compounds impart essential sensorial properties to the final product. In the second section of this review, the main (bio)chemical pathways leading to VSC synthesis are presented. Attention is focused on the microbial/enzymatic phenomena-which initiate sulfur bearing precursors degradation-leading to VSC production. Although chemical reactions could also play an important role in this process, this aspect is not fully developed in our review. The main catabolic pathways leading to VSC from the precursor methionine are presented.

Synthesis, Crystal Chemistry, and Physical Properties of Ternary Intermetallic Compounds An2T2X( An=Pu, Am; X=ln, Sn; T=Co, Ir, Ni, Pd, Pt, Rh)

NASA Astrophysics Data System (ADS)

Pereira, L. C. J.; Wastin, F.; Winand, J. M.; Kanellakopoulos, B.; Rebizant, J.; Spirlet, J. C.; Almeida, M.

1997-11-01

The synthesis, structural, and physical characterization of nine new ternary intermetallic compounds belonging to the isostructural An2T2Xfamily with the transuranium Pu and Am elements, namely, Pu 2Ni 2In, Pu 2Pd 2In, Pu 2Pt 2In, Pu 2Rh 2In, Pu 2Ni 2Sn, Pu 2Pd 2Sn, Pu 2Pt 2Sn, Am 2Ni 2Sn, and Am 2Pd 2Sn, are reported. From these compounds only Pu 2Rh 2In, Am 2Ni 2Sn, and Am 2Pd 2Sn melt incongruently. All of these compounds crystallize in a tetragonal U 3Si 2-type structure, with the space group P4/ mbm, ( Z=2) as most of the U and Np 2-2-1 compounds already found. In this structure, Anatoms occupy the 4 h( x1, x1+0.5, 0.5), Tthe 4 g( x2, x2+0.5, 0), and Xthe 2 a(0, 0, 0) positions. The average values of x1and x2are, respectively, 0.17 and 0.37. Single-crystal X-ray data were refined to R/ RW=0.045/0.066, 0.043/0.072, 0.066/0.080, 0.070/0.098, 0.029/0.048, 0.055/0.080, 0.073/0.096, 0.048/0.086, 0.048/0.065 for Pu 2Ni 2In, Pu 2Pd 2In, Pu 2Pt 2In, Pu 2Rh 2In, Pu 2Ni 2Sn, Pu 2Pd 2Sn, Pu 2Pt 2Sn, Am 2Ni 2Sn, and Am 2Pd 2Sn, respectively, for seven variables. The variation of the lattice parameters and the range of stability of the 2-2-1 phase are discussed in terms of the substitution of different An(actinide), T(transition metal), and X( p-electron) elements in their crystal structure. The possible role of spin fluctuations in the low-temperature behavior of the Pu samples is indicated by magnetic and electrical resistivity measurements.

Intermetallic Precipitation in Low-Density Steel

NASA Astrophysics Data System (ADS)

Chatterjee, S.; Chatterjee, A.; Chakrabarti, D.

2018-06-01

Low-density steels (LDS) represent a relatively new class of material that contains a large concentration of aluminum. In the present work, we studied the effect of copper addition to these steels. Microanalysis and electron diffraction study were used to demonstrate that on the contrary to the theoretical expectation, copper formed a variety of intermetallic, instead of metallic, precipitates on reaction with aluminum. The precipitation led to a significant age-hardening response that imparted a special characteristic to this material, which had never been reported previously.

Carbon-containing compounds on fusion-related surfaces: Thermal and ion-induced formation and erosion

NASA Astrophysics Data System (ADS)

Linsmeier, Christian

2004-12-01

The deposition of carbon on metals is the unavoidable consequence of the application of different wall materials in present and future fusion experiments like ITER. Presently used and prospected materials besides carbon (CFC materials in high heat load areas) are tungsten and beryllium. The simultaneous application of different materials leads to the formation of surface compounds due to the erosion, transport and re-deposition of material during plasma operations. The formation and erosion processes are governed by widely varying surface temperatures and kinetic energies as well as the spectrum of impinging particles from the plasma. The knowledge of the dependence on these parameters is crucial for the understanding and prediction of the compound formation on wall materials. The formation of surface layers is of great importance, since they not only determine erosion rates, but also influence the ability of the first wall for hydrogen isotope inventory accumulation and release. Surface compound formation, diffusion and erosion phenomena are studied under well-controlled ultra-high vacuum conditions using in-situ X-ray photoelectron spectroscopy (XPS) and ion beam analysis techniques available at a 3 MV tandem accelerator. XPS provides chemical information and allows distinguishing elemental and carbidic phases with high surface sensitivity. Accelerator-based spectroscopies provide quantitative compositional analysis and sensitivity for deuterium in the surface layers. Using these techniques, the formation of carbidic layers on metals is studied from room temperature up to 1700 K. The formation of an interfacial carbide of several monolayers thickness is not only observed for metals with exothermic carbide formation enthalpies, but also in the cases of Ni and Fe which form endothermic carbides. Additional carbon deposited at 300 K remains elemental. Depending on the substrate, carbon diffusion into the bulk starts at elevated temperatures together with additional

Discontinuously reinforced intermetallic matrix composites via XD synthesis. [exothermal dispersion

NASA Technical Reports Server (NTRS)

Kumar, K. S.; Whittenberger, J. D.

1992-01-01

A review is given of recent results obtained for discontinuously reinforced intermetallic matrix composites produced using the XD process. Intermetallic matrices investigated include NiAl, multiphase NiAl + Ni2AlTi, CoAl, near-gamma titanium aluminides, and Ll2 trialuminides containing minor amounts of second phase. Such mechanical properties as low and high temperature strength, compressive and tensile creep, elastic modulus, ambient ductility, and fracture toughness are discussed as functions of reinforcement size, shape, and volume fraction. Microstructures before and after deformation are examined and correlated with measured properties. An observation of interest in many of the systems examined is 'dispersion weakening' at high temperatures and high strain rates. This behavior is not specific to the XD process; rather similar observations have been reported in other discontinuous composites. Proposed mechanisms for this behavior are presented.

Modeling of Substitutional Site Preference in Ordered Intermetallic Alloys

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Noebe, Ronald D.; Honecy, Frank

1998-01-01

We investigate the site substitution scheme of specific alloying elements in ordered compounds and the dependence of site occupancy on compound stoichiometry, alloy concentration. This basic knowledge, and the interactions with other alloying additions are necessary in order to predict and understand the effect of various alloying schemes on the physical properties of a material, its response to various temperature treatments, and the resulting mechanical properties. Many theoretical methods can provide useful but limited insight in this area, since most techniques suffer from constraints in the type of elements and the crystallographic structures that can be modeled. With this in mind, the Bozzolo-Ferrante-Smith (BFS) method for alloys was designed to overcome these limitations, with the intent of providing an useful tool for the theoretical prediction of fundamental properties and structure of complex systems. After a brief description of the BFS method, its use for the determination of site substitution schemes for individual as well as collective alloying additions to intermetallic systems is described, including results for the concentration dependence of the lattice parameter. Focusing on B2 NiAl, FeAl and CoAl alloys, the energetics of Si, Ti, V, Cr, Fe, Co, Ni, Cu, Zr, Nb, Mo, Ru, Hf, Ta and W alloying additions are surveyed. The effect of single additions as well as the result of two simultaneous additions, discussing the interaction between additions and their influence on site preference schemes is considered. Finally, the BFS analysis is extended to ternary L1(sub 2) (Heusler phase) alloys. A comparison between experimental and theoretical results for the limited number of cases for which experimental data is available is also included.

Carbonyl compounds at Mount Tai in the North China Plain: Characteristics, sources, and effects on ozone formation

NASA Astrophysics Data System (ADS)

Yang, Xue; Xue, Likun; Yao, Lan; Li, Qinyi; Wen, Liang; Zhu, Yanhong; Chen, Tianshu; Wang, Xinfeng; Yang, Lingxiao; Wang, Tao; Lee, Shuncheng; Chen, Jianmin; Wang, Wenxing

2017-11-01

Carbonyl compounds, an important category of volatile organic compounds (VOCs), play important roles in ozone (O3) formation and atmospheric chemistry. To better understand the characteristics and sources of carbonyl compounds and their effects on O3 formation, C1-C8 carbonyls were measured at Mount Tai, the highest mountain in the North China Plain (NCP), in summer 2014. Acetone (3.57 ± 0.55 ppbv), formaldehyde (3.48 ± 0.98 ppbv) and acetaldehyde (1.27 ± 0.78 ppbv) are the three most abundant species, comprising as high as 90% of the total observed compounds. Isovaleraldehyde (0.37 ± 0.17 ppbv) presents another important carbonyl compound despite its high reactivity. Comparison with the observations available in China highlights the serious situation of carbonyls pollution in the NCP region. The sources of carbonyls are dominated by photo-oxidation of VOCs during the daytime and regional transport at night. Secondary sources from oxidation of hydrocarbons contribute on average 44% of formaldehyde, 31% of acetone, 85% of acetaldehyde, 78% of benzaldehyde, and 84% of isovaleraldehyde, demonstrating the dominant role of secondary formation in the ambient carbonyl levels. Formaldehyde, acetaldehyde and isovaleraldehyde are the most important contributors to the OH reactivity and O3 production among the measured carbonyls. This study shows that carbonyl compounds contribute significantly to the photochemical pollution in the NCP region and hence understanding their sources and characteristics is essential for developing the science-based O3 pollution control strategies.

Electromigration Mechanism of Failure in Flip-Chip Solder Joints Based on Discrete Void Formation.

PubMed

Chang, Yuan-Wei; Cheng, Yin; Helfen, Lukas; Xu, Feng; Tian, Tian; Scheel, Mario; Di Michiel, Marco; Chen, Chih; Tu, King-Ning; Baumbach, Tilo

2017-12-20

In this investigation, SnAgCu and SN100C solders were electromigration (EM) tested, and the 3D laminography imaging technique was employed for in-situ observation of the microstructure evolution during testing. We found that discrete voids nucleate, grow and coalesce along the intermetallic compound/solder interface during EM testing. A systematic analysis yields quantitative information on the number, volume, and growth rate of voids, and the EM parameter of DZ*. We observe that fast intrinsic diffusion in SnAgCu solder causes void growth and coalescence, while in the SN100C solder this coalescence was not significant. To deduce the current density distribution, finite-element models were constructed on the basis of the laminography images. The discrete voids do not change the global current density distribution, but they induce the local current crowding around the voids: this local current crowding enhances the lateral void growth and coalescence. The correlation between the current density and the probability of void formation indicates that a threshold current density exists for the activation of void formation. There is a significant increase in the probability of void formation when the current density exceeds half of the maximum value.

Progress in donor assisted coal liquefaction: Hydroaromatic compound formation

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

Kottenstette, R.J.; Stephens, H.P.

1993-12-31

The role of hydrogen donor compounds in coal liquefaction has been extensively investigated since the mid 1960`s using model compounds and process derived hydrogen donor solvents. Our recent research and that of other investigators have shown that two model compounds in particular have great efficacy in solvating low rank coals. 1,2,3,10b tetrahydrofluoranthene (H{sub 4}Fl) and 1,2,3,6,7,8 hexahydropyrene (H{sub 6}Py) have been used to dissolve Wyodak coal to > 95% soluble material as measured by tetrahydrofuran (THF). Although these hydrogen donors are very effective, they may not be found in any significant concentrations in actual liquefaction process recycle solvents. Therefore, studiesmore » with process derived recycle materials are necessary to understand donor solvent chemistry. The objective of this paper is to present results of solvent hydrogenation experiments using heavy distillate solvents produced during testing at the Wilsonville Advanced Coal Liquefaction Test Facility. We evaluated the impact of hydrogenation conditions upon hydrogen donor formation in process derived distillates and compared these process derived solvents with the highly effective H{sub 4}Fl and H{sub 6}Py donors in coal liquefaction tests. This paper presents data on reaction conditions used for distillate hydrotreating and subsequent coal liquefaction, with an aim toward understanding the relationship between reaction conditions and donor solvent quality in recycle distillates.« less

Advances in processing of NiAl intermetallic alloys and composites for high temperature aerospace applications

NASA Astrophysics Data System (ADS)

Bochenek, Kamil; Basista, Michal

2015-11-01

Over the last few decades intermetallic compounds such as NiAl have been considered as potential high temperature structural materials for aerospace industry. A large number of investigations have been reported describing complex fabrication routes, introducing various reinforcing/alloying elements along with theoretical analyses. These research works were mainly focused on the overcoming of main disadvantage of nickel aluminides that still restricts their application range, i.e. brittleness at room temperature. In this paper we present an overview of research on NiAl processing and indicate methods that are promising in solving the low fracture toughness issue at room temperature. Other material properties relevant for high temperature applications are also addressed. The analysis is primarily done from the perspective of NiAl application in aero engines in temperature regimes from room up to the operating temperature (over 1150 °C) of turbine blades.

Intermediate coupled superconductivity in yttrium intermetallics

NASA Astrophysics Data System (ADS)

Sharma, Ramesh; Ahmed, Gulzar; Sharma, Yamini

2017-09-01

Non-magnetic YIn3, LaIn3 and LuIn3 with a superconducting transition temperature Tc of 0.78, 0.71 and 0.24 K were investigated for superconductivity. Similarly, rare-earth compound LaSn3 has been reported to exhibit superconductivity around 6.25 K, whereas the non-magnetic YSn3 is a superconductor with Tc of 7 K. The substitution of 13th group In-atoms by 14th group Sn-atoms is seen to enhance Tc by nearly one order, although the lattice parameters increase by ∼1.0% in YSn3 compared to YIn3 compound. It is observed from the ground state properties that the slight difference in the energy band structures of YIn3, YIn2Sn and YSn3 gives rise to various complex Fermi surfaces which are multiply connected and exhibit vast differences. The Fermi level lies on a sharp peak in YSn3 which has a higher density of states N(EF), whereas Fermi level lies on the shoulder of a sharp peak in YIn3. The electron localization function (ELF) and difference charge density maps clearly illustrate the difference in the nature of bonding; the Ysbnd Sn bonds are clearly more ionic (due to larger bond length) than Ysbnd In bonds. These results are consistent with the Bader charges which show loss of charges from Y-atoms and a gain of charges by In/Sn atoms. The dynamical properties also clearly illustrate the difference in the nature of bonds in YX3 intermetallics. A softening of the lowermost acoustic modes is observed in YIn3, whereas all the modes in YSn3 are observed to have positive frequencies which imply its greater stability. Since λel-ph < 1, both YIn3 and YSn3 compounds exhibit type I superconductivity according to BCS theory. However, the smaller N(EF) obtained from the density of states (DOS); the electron-phonon coupling constant λel-ph obtained from the temperature dependent specific heat as well as the instability in phonon modes due to stronger Ysbnd In and Insbnd In bonds in YIn3 may be the cause of lower Tc and filamentary nature of superconductivity. Insertion of Sn

Thermodynamic investigations on the formation and decomposition of metallic glasses

NASA Astrophysics Data System (ADS)

Predel, B.

1981-01-01

Metallic glasses usually can easily be formed in systems which are characterized by a strong interaction between atoms of different species, this fact leading to a more or less ordered distribution of the different kinds of atoms in the melt. Taking the gold-germanium system as an example, the nature of this short-range order, its concentration and temperature dependences and its influence on the formation of metallic glasses are discussed on the basis of mixing enthalpies. The relationship between the interatomic and the glass-forming ability has been used to discover a series of new metallic glasses, the main component of which is an earth alkaline metal. In order to produce these glasses a new method of splat cooling was developed. Furthermore, the energetics and kinetics of the crystallization of metallic glasses are discussed. As an example, the crystallization of a MgGa glass into a metastable intermetallic compound is considered.

Corrosion Protection Mechanisms of Rare-Earth Compounds Based on Cerium and Praseodymium

DTIC Science & Technology

2012-04-01

Annular Dark Field IMC–Intermetallic compound LA-ICP-MS Laser Ablation Inductively Coupled Plasma Mass Spectrometry MPY—Mils per year (a measure of...currently researching CeCCs. ................................. 20   Table 2.   Mass percent losses during various ranges of thermal treatment for Pr6O11...analysis data of corrosion product in an 084 primer series scribe following 500 hours of salt spray exposure as detected by mass spectrometry

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.

Brazing process provides high-strength bond between aluminum and stainless steel

NASA Technical Reports Server (NTRS)

Huschke, E. G., Jr.; Nord, D. B.

1966-01-01

Brazing process uses vapor-deposited titanium and an aluminum-zirconium-silicon alloy to prevent formation of brittle intermetallic compounds in stainless steel and aluminum bonding. Joints formed by this process maintain their high strength, corrosion resistance, and hermetic sealing properties.

Twisted multifilament superconductor

NASA Technical Reports Server (NTRS)

Coles, W. D. (Inventor)

1973-01-01

Masking selected portions of a ribbon and forming an intermetallic compound on the unmasked portions by a controlled diffusion reaction produces a twisted filamentary structure. The masking material prohibits the formation of superconductive material on predetermined areas of the substrate.

Magnetocaloric effect in textured rare earth intermetallic compound ErNi

NASA Astrophysics Data System (ADS)

Sankar, Aparna; Chelvane, J. Arout; Morozkin, A. V.; Nigam, A. K.; Quezado, S.; Malik, S. K.; Nirmala, R.

2018-05-01

Melt-spun ErNi crystallizes in orthorhombic FeB-type structure (Space group Pnma, no. 62) similar to the arc-melted ErNi compound. Room temperature X-ray diffraction (XRD) experiments reveal the presence of texture and preferred crystal orientation in the melt-spun ErNi. The XRD data obtained from the free surface of the melt-spun ErNi show large intensity enhancement for (1 0 2) Bragg reflection. The scanning electron microscopy image of the free surface depicts a granular microstructure with grains of ˜1 μm size. The arc-melted and the melt-spun ErNi compounds order ferromagnetically at 11 K and 10 K (TC) respectively. Field dependent magnetization (M-H) at 2 K shows saturation behaviour and the saturation magnetization value is 7.2 μB/f.u. for the arc-melted ErNi and 7.4 μB/f.u. for the melt-spun ErNi. The isothermal magnetic entropy change (ΔSm) close to TC has been calculated from the M-H data. The maximum isothermal magnetic entropy change, -ΔSmmax, is ˜27 Jkg-1K-1 and ˜24 Jkg-1K-1 for the arc-melted and melt-spun ErNi for 50 kOe field change, near TC. The corresponding relative cooling power values are ˜440 J/kg and ˜432 J/kg respectively. Although a part of ΔSm is lost to crystalline electric field (CEF) effects, the magnetocaloric effect is substantially large at 10 K, thus rendering melt-spun ErNi to be useful in low temperature magnetic refrigeration applications such as helium gas liquefaction.

Effect of Mn Nanoparticles on Interfacial Intermetallic Compound Growth in Low-Ag Sn-0.3Ag-0.7Cu- xMn Solder Joints

NASA Astrophysics Data System (ADS)

Tang, Y.; Luo, S. M.; Li, G. Y.; Yang, Z.; Chen, R.; Han, Y.; Hou, C. J.

2018-02-01

Interfacial intermetallic compound (IMC) growth between Cu substrates and low-Ag Sn-0.3Ag-0.7Cu- xMn ( x = 0 wt.%, 0.02 wt.%, 0.05 wt.%, 0.1 wt.%, and 0.15 wt.%) (SAC0307- xMn) solders was investigated under different isothermal aging temperatures of 100°C, 150°C, and 190°C. Scanning electron microscopy (SEM) was employed to observe the microstructural evolution of the solder joints and measure the IMC layer thickness. The IMC phases were identified by energy-dispersive x-ray spectroscopy and x-ray diffraction. The results showed that a Cu6Sn5 IMC layer formed in the as-soldered solder joints, while a duplex structure consisting of a Cu6Sn5 IMC layer near the solder matrix and a Cu3Sn IMC layer was observed after isothermal aging. A considerable drop in the IMC layer thickness was observed when 0.1 wt.% Mn nanoparticles were added. Beyond this amount, the thickness of the IMC layer only slightly increases. Adding Mn nanoparticles can increase the activation energy and thus reduce the interdiffusion rates of the Sn and Cu atoms, which suppresses excessive IMC growth. The solder joint containing 0.1 wt.% Mn nanoparticles has the highest activation energy. SEM images revealed that the number of small particles precipitated in the channels between the Cu6Sn5 IMC layers increases with an increasing proportion of Mn nanoparticles. Based on the microstructural evolution of the solder joints, this study revealed that grain boundary pinning is one of the most important mechanisms for IMC growth inhibition when Mn nanoparticles are added.

Suppressors made from intermetallic materials

DOEpatents

Klett, James W; Muth, Thomas R; Cler, Dan L

2014-11-04

Disclosed are several examples of apparatuses for suppressing the blast and flash produced as a projectile is expelled by gases from a firearm. In some examples, gases are diverted away from the central chamber to an expansion chamber by baffles. The gases are absorbed by the expansion chamber and desorbed slowly, thus decreasing pressure and increasing residence time of the gases. In other examples, the gases impinge against a plurality of rods before expanding through passages between the rods to decrease the pressure and increase the residence time of the gases. These and other exemplary suppressors are made from an intermetallic material composition for enhanced strength and oxidation resistance at high operational temperatures.

Method of treating intermetallic alloy hydrogenation/oxidation catalysts for improved impurity poisoning resistance, regeneration and increased activity

DOEpatents

Wright, Randy B.

1992-01-01

Alternate, successive high temperature oxidation and reduction treatments, in either order, of intermetallic alloy hydrogenation and intermetallic alloy oxidation catalysts unexpectedly improves the impurity poisoning resistance, regeneration capacity and/or activity of the catalysts. The particular alloy, and the final high temperature treatment given alloy (oxidation or reduction) will be chosen to correspond to the function of the catalyst (oxidation or hydrogenation).

Metabolic Impact of Redox Cofactor Perturbations on the Formation of Aroma Compounds in Saccharomyces cerevisiae

PubMed Central

Sanchez, Isabelle; Dequin, Sylvie; Camarasa, Carole

2015-01-01

Redox homeostasis is a fundamental requirement for the maintenance of metabolism, energy generation, and growth in Saccharomyces cerevisiae. The redox cofactors NADH and NADPH are among the most highly connected metabolites in metabolic networks. Changes in their concentrations may induce widespread changes in metabolism. Redox imbalances were achieved with a dedicated biological tool overexpressing native NADH-dependent or engineered NADPH-dependent 2,3-butanediol dehydrogenase, in the presence of acetoin. We report that targeted perturbation of the balance of cofactors (NAD+/NADH or, to a lesser extent, NADP+/NADPH) significantly affected the production of volatile compounds. In most cases, variations in the redox state of yeasts modified the formation of all compounds from the same biochemical pathway (isobutanol, isoamyl alcohol, and their derivatives) or chemical class (ethyl esters), irrespective of the cofactors. These coordinated responses were found to be closely linked to the impact of redox status on the availability of intermediates of central carbon metabolism. This was the case for α-keto acids and acetyl coenzyme A (acetyl-CoA), which are precursors for the synthesis of many volatile compounds. We also demonstrated that changes in the availability of NADH selectively affected the synthesis of some volatile molecules (e.g., methionol, phenylethanol, and propanoic acid), reflecting the specific cofactor requirements of the dehydrogenases involved in their formation. Our findings indicate that both the availability of precursors from central carbon metabolism and the accessibility of reduced cofactors contribute to cell redox status modulation of volatile compound formation. PMID:26475113

Efficacy of zinc compounds in controlling Fusarium head blight and deoxynivalenol formation in wheat (Triticum aestivum L.).

PubMed

Savi, Geovana D; Piacentini, Karim C; de Souza, Stephany Ramos; Costa, Maíra E B; Santos, Cristina M R; Scussel, Vildes M

2015-07-16

The efficiency of zinc compounds (zinc sulfate, ZnSO4 and zinc oxide, ZnO in regular and nanosize, respectively) on wheat plants was evaluated against growth of Fusarium graminearum and DON formation. In addition, any possible effects on the grain microstructures were observed by scanning electron microscopy (SEM), and the remaining residue of Zn on wheat plants was analyzed. The plants were inoculated with F. graminearum and treated with Zn compounds (100mM) onto spikelets at the anthesis stage. When wheat plants reached maturation, grains were harvested and evaluated for Fusarium (number of colonies, CFU/g), DON formation, and SEM observation, followed by determination of possible remaining Zn residue. The groups treated with ZnSO4 and ZnO-NP showed a reduction in number of CFU of F. graminearum when compared to the control. Similarly for DON formation, i.e. the toxin was reduced to non-detected levels in the treated group. ZnO-NP efficiently reduced F. graminearum and DON formation in the grains at low concentration. Zn remained within the international recommended level for consumption and the treatment did not cause any damage to wheat grains. New strategies of control using Zn compounds in addition to conventional treatments could increase the efficiency against FBH and DON formation. Copyright © 2015 Elsevier B.V. All rights reserved.

Corrosion behaviour and biocompatibility of a novel Ni-free intermetallic coating growth on austenitic steel by hot dipping in an Al-12.6%Si alloy.

PubMed

Arenas, M A; Frutos, E; Saldaña, L; Conde, A; Labajos-Broncano, L; González-Martín, M L; González-Carrasco, J L; Vilaboa, N

2011-04-01

Commercial 316 LVM austenitic stainless steel samples have been coated by immersion in a bath of molten Al-12.6%Si alloy for 120 s. The coating consists of the Al(12)(Fe,Cr)(3)Si(2) intermetallic. In vitro corrosion behaviour has been evaluated in the Ringer's solution by means of potentiodynamic curves and electrochemical impedance spectroscopy. The results reveal that the coated specimens exhibit lower susceptibility to localised corrosion with respect to the substrate. XPS analysis suggests that the ennoblement of the pitting potential is due to the formation of a chromium oxyhydroxide containing passive layer. The intermetallic coating shows a good biocompatibility, as demonstrated by culturing human mesenchymal stem cells isolated from bone marrow which attached, grew and differentiated to the osteoblastic lineage to a similar extent on coated and bare steels. In summary, this study proposes a method that generates Ni-free coatings of the stainless steel with useful properties for biomedical applications.

Facet-Dependent Deposition of Highly Strained Alloyed Shells on Intermetallic Nanoparticles for Enhanced Electrocatalysis

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

Wang, Chenyu; Sang, Xiahan; Gamler, Jocelyn T. L.

Compressive surface strains can enhance the performance of platinum-based core@shell electrocatalysts for the oxygen reduction reaction (ORR). Bimetallic core@shell nanoparticles (NPs) are widely studied nanocatalysts but often have limited lattice mismatch and surface compositions; investigations of core@shell NPs with greater compositional complexity and lattice misfit are in their infancy. Here, a new class of multimetallic NPs composed of intermetallic cores and random alloy shells is reported. Specifically, face-centered cubic (fcc) Pt- Cu random alloy shells were deposited non-epitaxially on PdCu B2 intermetallic seeds, giving rise to faceted core@shell NPs with highly strained surfaces. In fact, high resolution transmission electron microscopymore » (HRTEM) revealed orientation-dependent surface strains, where the compressive strains were minimal on Pt-Cu {111} facets but greater on {200} facets. These core@shell NPs provide higher specific and mass activities for the ORR when compared to conventional Pt-Cu NPs. Moreover, these intermetallic@random alloy NPs displayed high endurance, undergoing 10,000 cycles with only a slight decay in activity and no apparent structural changes.« less

Facet-Dependent Deposition of Highly Strained Alloyed Shells on Intermetallic Nanoparticles for Enhanced Electrocatalysis

DOE PAGES

Wang, Chenyu; Sang, Xiahan; Gamler, Jocelyn T. L.; ...

2017-08-25

Compressive surface strains can enhance the performance of platinum-based core@shell electrocatalysts for the oxygen reduction reaction (ORR). Bimetallic core@shell nanoparticles (NPs) are widely studied nanocatalysts but often have limited lattice mismatch and surface compositions; investigations of core@shell NPs with greater compositional complexity and lattice misfit are in their infancy. Here, a new class of multimetallic NPs composed of intermetallic cores and random alloy shells is reported. Specifically, face-centered cubic (fcc) Pt- Cu random alloy shells were deposited non-epitaxially on PdCu B2 intermetallic seeds, giving rise to faceted core@shell NPs with highly strained surfaces. In fact, high resolution transmission electron microscopymore » (HRTEM) revealed orientation-dependent surface strains, where the compressive strains were minimal on Pt-Cu {111} facets but greater on {200} facets. These core@shell NPs provide higher specific and mass activities for the ORR when compared to conventional Pt-Cu NPs. Moreover, these intermetallic@random alloy NPs displayed high endurance, undergoing 10,000 cycles with only a slight decay in activity and no apparent structural changes.« less

Total and Compound Formation Cross Sections for Americium Nuclei: Recommendations for Coupled-Channels Calculations

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

Escher, J. E.

Calculations for total cross sections and compound-nucleus (CN) formation cross sections for americium isotopes are described, for use in the 2017 NA-22 evaluation effort. The code ECIS 2006 was used in conjunction with Frank Dietrich's wrapper `runtemplate'.

The role of shock waves in the formation of organic compounds in the primeval atmosphere.

NASA Technical Reports Server (NTRS)

Hochstim, A. R.

1971-01-01

It is shown that shock waves from micrometeorites, meteors, meteorites, and thunder are of interest from the viewpoint of contributing significantly to the total accumulation of organic compounds in primeval times. The multitude of recombination reactions occurring in connection with shock waves could be an important factor in the formation of more complex compounds. Lower bound kinetic energies available to micrometeorites, cometary meteorites, stony and iron meteorites are calculated.

Development of B2 Shape Memory Intermetallics Beyond NiAl, CoNiAl and CoNiGa

NASA Astrophysics Data System (ADS)

Gerstein, G.; Firstov, G. S.; Kosorukova, T. A.; Koval, Yu. N.; Maier, H. J.

2018-06-01

The present study describes the development of shape memory alloys based on NiAl. Initially, this system was considered a promising but unsuccessful neighbour of NiTi. Later, however, shape memory alloys like CoNiAl or CoNiGa were developed that can be considered as NiAl derivatives and already demonstrated good mechanical properties. Yet, these alloys were still inferior to NiTi in most respects. Lately, using a multi-component approach, a CoNiCuAlGaIn high entropy intermetallic compound was developed from the NiAl prototype. This new alloy featured a B2 phase and a martensitic transformation along with a remarkable strength in the as-cast state. In the long-term, this new approach might led to a breakthrough for shape memory alloys in general.

Point Defects in Quenched and Mechanically-Milled Intermetallic Compounds

NASA Astrophysics Data System (ADS)

Sinha, Praveen

Investigations were made of structural and thermal point defects in the highly-ordered B2 compound PdIn and deformation-induced defects in PdIn and NiAl. The defects were detected through the quadrupole interactions they induce at nearby ^{111}In/Cd probe atoms using the technique of perturbed gamma-gamma angular correlations (PAC). Measurements on annealed PdIn on both sides of stoichiometry show structural defects that are the Pd vacancies on the Pd-poor side of the stoichiometry and Pd antisite atoms on the Pd-rich side. Signals were attributed to various defect configurations near the In/Cd probes. In addition to the first-shell Pd vacancy and second-shell Pd antisite atom configurations previously observed by Hahn and Muller, we observed two Pd-divacancy configurations in the first shell, a fourth-shell Pd vacancy, a second-shell In vacancy and the combination of a first -shell Pd vacancy and fourth-shell Pd vacancy. Vacancies on both the Pd and In sublattices were detected after quenching. Fractions of probe atoms having each type of neighboring vacancy defect were observed to increase monotonically with quenching temperature over the range 825-1500 K. For compositions very close to 50.15 at.% Pd, nearly equal site fractions were observed for Pd and In vacancies, indicating that the Schottky vacancy-pair defect is the thermal defect at high temperature. The formation enthalpy of the Schottky defect was determined from measurements of the Pd-vacancy site fraction to be 1.30(18) eV from analysis of quenching data in the range 825-1200 K, using the law of mass action and assuming a random distribution. Above 1200 K, the Pd-vacancy concentration was observed to be saturated at a value of 1.3(2) atomic percent. For more Pd-rich compositions, evidence was also obtained for a defect reaction in which a Pd antisite atom and Pd vacancy react to form an In vacancy, thereby increasing the In vacancy concentration and decreasing the Pd vacancy concentration. Analysis of

Method of treating intermetallic alloy hydrogenation/oxidation catalysts for improved impurity poisoning resistance, regeneration and increased activity

DOEpatents

Wright, R.B.

1992-01-14

Alternate, successive high temperature oxidation and reduction treatments, in either order, of intermetallic alloy hydrogenation and intermetallic alloy oxidation catalysts unexpectedly improves the impurity poisoning resistance, regeneration capacity and/or activity of the catalysts. The particular alloy, and the final high temperature treatment given alloy (oxidation or reduction) will be chosen to correspond to the function of the catalyst (oxidation or hydrogenation). 23 figs.

Compound-specific sulfur isotope analysis of thiadiamondoids of oils from the Smackover Formation, USA

USGS Publications Warehouse

Zvi Gvirtzman,; Ward Said-Ahmad,; Ellis, Geoffrey S.; Ronald J. Hill,; J. Michael Moldowan,; Zhibin Wei,; Alon Amrani,

2015-01-01

Thiadiamondoids (TDs) are diamond-like compounds with a sulfide bond located within the cage structure. These compounds were suggested as a molecular proxy for the occurrence and extent of thermochemical sulfate reduction (TSR). Compound-specific sulfur-isotope analysis of TDs may create a multi-parameter system, based on molecular and δ34S values that may be sensitive over a wider range of TSR and thermal maturation stages. In this study, we analyzed a suite of 12 Upper Jurassic oil and condensate samples generated from source rocks in the Smackover Formation to perform a systematic study of the sulfur isotope distribution in thiadiamondoids (one and two cages). For comparison we measured the δ34S composition of benzothiophenes (BTs) and dibenzothiophenes (DBTs). We also conducted pyrolysis experiments with petroleum and model compounds to have an insight into the formation mechanisms of TDs. The δ34S of the TDs varied significantly (ca 30‰) between the different oils depending on the degree of TSR alteration. The results showed that within the same oil, the one-cage TDs were relatively uniform, with 34S enriched values similar to those of the coexisting BTs. The two-cage TDs had more variable δ34S values that range from the δ34S values of BTs to those of the DBTs, but with general 34S depletion relative to one cage TDs. Hydrous pyrolysis experiments (360 °C, 40 h) with either CaSO4 or elemental S (equivalent S molar concentrations) and adamantane as a model compound demonstrate the formation of one cage TDs in relatively low yields (<0.2%). Higher concentrations of TDs were observed in the elemental sulfur experiments, most likely because of the higher rates of reaction with adamantane under these experimental conditions. These results show that the formation of TDs is not exclusive to TSR reactions, and that they can also form by reaction with reduced S species apart from sulfate reduction, though at low yields. Oxygenated compounds, most notably 2

Cloud processing of organic compounds: Secondary organic aerosol and nitrosamine formation

NASA Astrophysics Data System (ADS)

Hutchings, James W., III

Cloud processing of atmospheric organic compounds has been investigated through field studies, laboratory experiments, and numerical modeling. Observational cloud chemistry studies were performed in northern Arizona and fog studies in central Pennsylvania. At both locations, the cloud and fogs showed low acidity due to neutralization by soil dust components (Arizona) and ammonia (Pennsylvania). The field observations showed substantial concentrations (20-5500 ng•L -1) of volatile organic compounds (VOC) in the cloud droplets. The potential generation of secondary organic aerosol mass through the processing of these anthropogenic VOCs was investigated through laboratory and modeling studies. Under simulated atmospheric conditions, in idealized solutions, benzene, toluene, ethylbenzene, and xylene (BTEX) degraded quickly in the aqueous phase with half lives of approximately three hours. The degradation process yielded less volatile products which would contribute to new aerosol mass upon cloud evaporation. However, when realistic cloud solutions containing natural organic matter were used in the experiments, the reaction kinetics decreased with increasing organic carbon content, resulting in half lives of approximately 7 hours. The secondary organic aerosol (SUA) mass formation potential of cloud processing of BTEX was evaluated. SOA mass formation by cloud processing of BTEX, while strongly dependent on the atmospheric conditions, could contribute up to 9% of the ambient atmospheric aerosol mass, although typically ˜1% appears realistic. Field observations also showed the occurrence of N-nitrosodimethylamine (NDMA), a potent carcinogen, in fogs and clouds (100-340 ng•L -1). Laboratory studies were conducted to investigate the formation of NDMA from nitrous acid and dimethylamine in the homogeneous aqueous phase within cloud droplets. While NDMA was produced in the cloud droplets, the low yields (<1%) observed could not explain observational concentrations

Structural, electronic and elastic properties of heavy fermion YbRh2 Laves phase compound

NASA Astrophysics Data System (ADS)

Pawar, Harsha; Shugani, Mani; Aynyas, Mahendra; Sanyal, Sankar P.

2018-05-01

The structural, electronic and elastic properties of YbRh2 Laves phase intermetallic compound which crystallize in cubic (MgCu2-type) structure have been investigated using ab-initio full potential linearized augmented plane wave (FP- LAPW) method with LDA and LDA+U approximation. The calculated ground state properties such as lattice parameter (a0), bulk modulus (B) and its pressure derivative (B') are in good agreement with available experimental and theoretical data. The electronic properties are analyzed from band structures and density of states. Elastic constants are predicted first time for this compound which obeys the stability criteria for cubic system.

Kinetic and mechanism formation reaction of complex compound Cu with di-n-buthildithiocarbamate (dbdtc) ligand

NASA Astrophysics Data System (ADS)

Haryani, S.; Kurniawan, C.; Kasmui

2018-04-01

Synthesis of complex compound is one field of research which intensively studied. Metal-dithiocarbamate complexes find wide-ranging applications in nanomaterial and metal separation science, and have potential use as chemotherapeutic, pesticides, and as additives to lubricants. However, the information about is reaction kinetic and mechanism are very much lacking. The research and analyzes results show that reaction synthesis ligand DBDTC and complex compounds Cu-DBDTC. Optimum reaction condition of formation of complex compounds Cu with DBDTC at pH=3, [DBDTC] = 4.10-3 M, and the time of reaction 5 minutes. Based the analysis varian reaction of complex compounds at pH 3 and 4, diffrence significance at the other pH: 5; 5,5; 6; 6,5 ; 7; and 8. The various of mole with reactants comosition difference sigbificance, those the time reaction for 5 and 6 minutes diffrence by significance with the other time, it is 3,4,8, and 10 minutes. The great product to at condition pH 6, the time optimum at 5 minutes and molar ratio of logam: ligand = 1:2. The reaction kinetic equation of complex compound Cu with chelathing ligand DBDTC is V=0.917106 [Cu2+]0.87921 [DBDTC]2.03021. Based on the kinetic data, and formed complex compounds estimation, the mechanism explaining by 2 stages. In the first stage formation of [Cu(DBDTC)], and then [Cu(DBDTC)2] with the last structure geomethry planar rectangle. The result of this research will be more useful if an effort is being done in reaction mechanism by chemical computation method for obtain intermediate, and for constant “k” in same stage, k1.k2. and compound complex constanta (β).

Effect of Different Flours on the Formation of Hydroxymethylfurfural, Furfural, and Dicarbonyl Compounds in Heated Glucose/Flour Systems

PubMed Central

Mesías, Marta; Morales, Francisco J.

2017-01-01

Traditional cereal-based foods usually include wheat flour in their formulations; however, the search for new products with new ingredients providing different properties to foods is widely pursued by food companies. Replacement of wheat by other flours can modify both nutritional properties and organoleptic characteristics of the final baked food, but can also impact the formation of potentially harmful compounds. The effect of the type of flour on the formation of furfurals and dicarbonyl compounds was studied in a dough model system during baking that contains water or glucose in order to promote the Maillard reaction and caramelization. The formation of methylglyoxal and glyoxal was significantly reduced in spelt and teff formulations compared to wheat flour formulations, respectively. In contrast, samples formulated with oat, teff, and rye showed a significant increase in the levels of 3-deoxyglucosone. Similarly, spelt and teff formulations presented significantly higher concentrations of hydroxymethylfurfural, and spelt, teff, and rye presented higher concentrations of furfural. Therefore, the formation of process contaminants and undesirable compounds in new food products formulated with different flours replacing the traditional wheat flour should be considered carefully in terms of food safety. PMID:28231092

Effect of Different Flours on the Formation of Hydroxymethylfurfural, Furfural, and Dicarbonyl Compounds in Heated Glucose/Flour Systems.

PubMed

Mesías, Marta; Morales, Francisco J

2017-02-16

Traditional cereal-based foods usually include wheat flour in their formulations; however, the search for new products with new ingredients providing different properties to foods is widely pursued by food companies. Replacement of wheat by other flours can modify both nutritional properties and organoleptic characteristics of the final baked food, but can also impact the formation of potentially harmful compounds. The effect of the type of flour on the formation of furfurals and dicarbonyl compounds was studied in a dough model system during baking that contains water or glucose in order to promote the Maillard reaction and caramelization. The formation of methylglyoxal and glyoxal was significantly reduced in spelt and teff formulations compared to wheat flour formulations, respectively. In contrast, samples formulated with oat, teff, and rye showed a significant increase in the levels of 3-deoxyglucosone. Similarly, spelt and teff formulations presented significantly higher concentrations of hydroxymethylfurfural, and spelt, teff, and rye presented higher concentrations of furfural. Therefore, the formation of process contaminants and undesirable compounds in new food products formulated with different flours replacing the traditional wheat flour should be considered carefully in terms of food safety.

Intermetallics for Thermal Protection Systems

NASA Astrophysics Data System (ADS)

Marcos, J.

2009-01-01

Future Reusable Launch Vehicles (RLV's) will require improved Thermal Protection Systems (TPS) to achieve the ambitious goal of reducing the cost of delivering a payload to orbit by, at least, an order of magnitude. In this context, metallic materials are good candidates for their use in TPS and hot structures. Up to date, only two major type of materials have been considered and developed in Europe for such type of applications: Oxide Dispersion Strengthened (ODS) and intermetallics (ϒ-TiAl). INASMET, during last years, has been working with the orthorhombic titanium aluminides, whose specific properties are comparable, to those of ODS and ϒ-TiAl materials. The EXPERT mission represents a unique opportunity to test under re-entry conditions this material.

Magnetic properties of Gd intermetallics

DOE PAGES

Petit, Leon; Szotek, Zdzislawa; Jackson, Jerome; ...

2017-04-06

Here, using first-principles calculations, based on disordered local moment theory, combined with the self-interaction corrected local spin density approximation, we study magnetic interactions in GdX intermetallics for X = Cu, Zn, Ga, Cd, and Mg. Our predicted magnetic orders and ordering temperatures both at zero and other pressures agree well with experiments including the large increase in the Curie temperature of GdCd under pressure that is shown by our own experimental measurements. From our results it emerges that the Ruderman-Kittel-Kasuya-Yosida interaction on its own can not explain the observed behaviour under pressure, and that the magnetic ordering mechanism is stronglymore » influenced by the occupations of both Gd and anion d-bands.« less

Formation of hydrogen peroxide from illuminated polar snows and frozen solutions of model compounds

NASA Astrophysics Data System (ADS)

Hullar, Ted; Patten, Kelley; Anastasio, Cort

2012-08-01

Hydrogen peroxide (HOOH) is an important trace constituent in snow and ice, including in Arctic and Antarctic ice cores. To better understand the budget of snowpack HOOH, here we examine its production in illuminated snow and ice. To evaluate what types of compounds might be important photochemical sources of HOOH, we first illuminated laboratory ice samples containing 10 different model organic compounds: guaiacol, phenol, syringol, benzoate, formate, octanal, octanoic acid, octanedioic acid, phenylalanine, and mixtures of oxalate with iron (III). Half of these compounds produced little or no HOOH during illumination, but two classes of compounds were very reactive: phenolic compounds (with rates of HOOH of 6-62 nM-HOOH h-1 μM-1-phenolic) and mixtures of Fe(III) with a stoichiometric excess of oxalate (with rates of HOOH production as high as 2,000,000 nM h-1 per μM iron). To quantify rates of HOOH production in the environment we also illuminated snow samples collected from the Arctic and Antarctic. The average (±1σ) HOOH production rate in these samples was low, 5.3 ± 5.0 nM h-1 and replicate measurements showed high variability. In some natural samples there was an initial burst of HOOH production (with a rate approximately 10 times higher than the average production rate), followed by reduced rates at subsequent time points. Although our laboratory ice samples reveal that illuminated organics and metal-organic complexes can form HOOH, the low rates of HOOH formation in the Arctic and Antarctic snow samples suggest this process has only a modest impact on the HOOH budget in the snowpack.

Electrically reversible cracks in an intermetallic film controlled by an electric field

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

Liu, Z. Q.; Liu, J. H.; Biegalski, M. D.

Cracks in solid-state materials are typically irreversible. We report electrically reversible opening and closing of nanoscale cracks in an intermetallic thin film grown on a ferroelectric substrate driven by a small electric field (~0.83 kV/cm). Accordingly, a nonvolatile colossal electroresistance on-off ratio of more than 10 8 is measured across the cracks in the intermetallic film at room temperature. Cracks are easily formed with low-frequency voltage cycling and remain stable when the device is operated at high frequency, which offers intriguing potential for next-generation high-frequency memory applications. Moreover, endurance testing demonstrates that the opening and closing of such cracks canmore » reach over 10 7 cycles under 10-μs pulses, without catastrophic failure of the film.« less

Electrically reversible cracks in an intermetallic film controlled by an electric field

DOE PAGES

Liu, Z. Q.; Liu, J. H.; Biegalski, M. D.; ...

2018-01-03

Cracks in solid-state materials are typically irreversible. We report electrically reversible opening and closing of nanoscale cracks in an intermetallic thin film grown on a ferroelectric substrate driven by a small electric field (~0.83 kV/cm). Accordingly, a nonvolatile colossal electroresistance on-off ratio of more than 10 8 is measured across the cracks in the intermetallic film at room temperature. Cracks are easily formed with low-frequency voltage cycling and remain stable when the device is operated at high frequency, which offers intriguing potential for next-generation high-frequency memory applications. Moreover, endurance testing demonstrates that the opening and closing of such cracks canmore » reach over 10 7 cycles under 10-μs pulses, without catastrophic failure of the film.« less

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

PubMed Central

Klein, Thomas; Clemens, Helmut; Mayer, Svea

2016-01-01

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

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

PubMed

Klein, Thomas; Clemens, Helmut; Mayer, Svea

2016-09-06

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

Vanadium Chloroperoxidases: The Missing Link in the Formation of Chlorinated Compounds and Chloroform in the Terrestrial Environment?

PubMed

Wever, Ron; Barnett, Phil

2017-08-17

It is well established that the majority of chlorinated organic substances found in the terrestrial environment are produced naturally. The presence of these compounds in soils is not limited to a single ecosystem. Natural chlorination is also a widespread phenomenon in grasslands and agricultural soils typical for unforested areas. These chlorinated compounds are formed from chlorination of natural organic matter consisting of very complex chemical structures, such as lignin. Chlorination of several lignin model compounds results in the intermediate formation of trichloroacetyl-containing compounds, which are also found in soils. These decay, in general, through a haloform-type reaction mechanism to CHCl 3 . Upon release into the atmosphere, CHCl 3 will produce chlorine radicals through photolysis, which will, in turn, lead to natural depletion of ozone. There is evidence that fungal chloroperoxidases able to produce HOCl are involved in the chlorination of natural organic matter. The objective of this review is to clarify the role and source of the various chloroperoxidases involved in the natural formation of CHCl 3 . © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

SOA formation by biogenic and carbonyl compounds: data evaluation and application.

PubMed

Ervens, Barbara; Kreidenweis, Sonia M

2007-06-01

The organic fraction of atmospheric aerosols affects the physical and chemical properties of the particles and their role in the climate system. Current models greatly underpredict secondary organic aerosol (SOA) mass. Based on a compilation of literature studies that address SOA formation, we discuss different parameters that affect the SOA formation efficiency of biogenic compounds (alpha-pinene, isoprene) and aliphatic aldehydes (glyoxal, hexanal, octanal, hexadienal). Applying a simple model, we find that the estimated SOA mass after one week of aerosol processing under typical atmospheric conditions is increased by a few microg m(-3) (low NO(x) conditions). Acid-catalyzed reactions can create > 50% more SOA mass than processes under neutral conditions; however, other parameters such as the concentration ratio of organics/NO(x), relative humidity, and absorbing mass are more significant. The assumption of irreversible SOA formation not limited by equilibrium in the particle phase or by depletion of the precursor leads to unrealistically high SOA masses for some of the assumptions we made (surface vs volume controlled processes).

Aspects of the structural evolution of lead-free solder joints

NASA Astrophysics Data System (ADS)

Zribi, A.; Kinyanjui, R.; Borgesen, P.; Zavalij, L.; Cotts, E. J.

2002-06-01

Studies of the formation of intermetallic compounds at some lead-free solder/metallization interfaces are briefly reviewed in this article. SnAgCu/Ni and SnAgCu/Cu interfaces are examined in particular. It has been found that (Cu,Ni)6Sn5 forms at SnAgCu/Ni interfaces until copper is depleted from the solder matrix. This article also contrasts the formation of (Au,Ni)Sn4 and related compounds in PbSn/Ni solder joints and lead-free solder joints.

Inhibition of Biofilm Formation, Quorum Sensing and Infection in Pseudomonas aeruginosa by Natural Products-Inspired Organosulfur Compounds

PubMed Central

Cady, Nathaniel C.; McKean, Kurt A.; Behnke, Jason; Kubec, Roman; Mosier, Aaron P.; Kasper, Stephen H.; Burz, David S.; Musah, Rabi A.

2012-01-01

Using a microplate-based screening assay, the effects on Pseudomonas aeruginosa PAO1 biofilm formation of several S-substituted cysteine sulfoxides and their corresponding disulfide derivatives were evaluated. From our library of compounds, S-phenyl-L-cysteine sulfoxide and its breakdown product, diphenyl disulfide, significantly reduced the amount of biofilm formation by P. aeruginosa at levels equivalent to the active concentration of 4-nitropyridine-N-oxide (NPO) (1 mM). Unlike NPO, which is an established inhibitor of bacterial biofilms, our active compounds did not reduce planktonic cell growth and only affected biofilm formation. When used in a Drosophila-based infection model, both S-phenyl-L-cysteine sulfoxide and diphenyl disulfide significantly reduced the P. aeruginosa recovered 18 h post infection (relative to the control), and were non-lethal to the fly hosts. The possibility that the observed biofilm inhibitory effects were related to quorum sensing inhibition (QSI) was investigated using Escherichia coli-based reporters expressing P. aeruginosa lasR or rhIR response proteins, as well as an endogenous P. aeruginosa reporter from the lasI/lasR QS system. Inhibition of quorum sensing by S-phenyl-L-cysteine sulfoxide was observed in all of the reporter systems tested, whereas diphenyl disulfide did not exhibit QSI in either of the E. coli reporters, and showed very limited inhibition in the P. aeruginosa reporter. Since both compounds inhibit biofilm formation but do not show similar QSI activity, it is concluded that they may be functioning by different pathways. The hypothesis that biofilm inhibition by the two active compounds discovered in this work occurs through QSI is discussed. PMID:22715388

Effect of intermetallic phases on the anodic oxidation and corrosion of 5A06 aluminum alloy

NASA Astrophysics Data System (ADS)

Li, Song-mei; Li, Ying-dong; Zhang, You; Liu, Jian-hua; Yu, Mei

2015-02-01

Intermetallic phases were found to influence the anodic oxidation and corrosion behavior of 5A06 aluminum alloy. Scattered intermetallic particles were examined by scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) after pretreatment. The anodic film was investigated by transmission electron microscopy (TEM), and its corrosion resistance was analyzed by electrochemical impedance spectroscopy (EIS) and Tafel polarization in NaCl solution. The results show that the size of Al-Fe-Mg-Mn particles gradually decreases with the iron content. During anodizing, these intermetallic particles are gradually dissolved, leading to the complex porosity in the anodic film beneath the particles. After anodizing, the residual particles are mainly silicon-containing phases, which are embedded in the anodic film. Electrochemical measurements indicate that the porous anodic film layer is easily penetrated, and the barrier plays a dominant role in the overall protection. Meanwhile, self-healing behavior is observed during the long immersion time.

RAPID COMMUNICATION: Formation of MgB2 at ambient temperature with an electrochemical process: a plausible mechanism

NASA Astrophysics Data System (ADS)

Jadhav, A. B.; Subhedar, K. M.; Hyam, R. S.; Talaptra, A.; Sen, Pintu; Bandyopadhyay, S. K.; Pawar, S. H.

2005-06-01

The binary intermetallic MgB2 superconductor has been synthesized by many research groups. However, the mechanism of its formation is not clearly understood. In this communication, a comprehensive mechanism of the formation of MgB2 from Le Chatelier's principle of equilibrium reaction has been explained both for solid-state reaction and electrodeposition methods.

Melt impregnation as a post processing treatment for performance enhancement in high capacity 3D microporous tin-copper-nickel intermetallic anode for Li-ion battery supported by electrodeposited nickel scaffold: A structural study

NASA Astrophysics Data System (ADS)

Sengupta, Srijan; Patra, Arghya; Mitra, Arijit; Jena, Sambedan; Das, Karabi; Majumder, Subhasish Basu; Das, Siddhartha

2018-05-01

This paper communicates stabilization of a Sn anode by impregnating it within the porous framework of a Ni-scaffold. The impregnation is carried out by electrodeposition Sn on Ni-foam followed by heating at 300 °C for 1 h. The Ni-foam was also electrodeposited on a Cu foil prior to deposition of Sn. The melting step leads to the formation of Nisbnd Sn and Cusbnd Sn intermetallics within pores of the Ni-scaffold. Snsbnd Cu/Ni intermetallics lithiate following the active-inactive strategy in which the inactive Cu/Ni buffers the volume expansion while Sn lithiates. Furthermore, this entire process takes place within Ni-scaffold which resists material pulverization and delamination and provide better electronic pathway for charge transfer. This active-inactive Sn:Snsbnd Cu/Ni intermetallic within a protected Ni-scaffold assembly results in 100th cycle discharge capacity of 587.9 mA h/g at a rate of 500 mA/g (0.5 C), and superior rate capability delivering 463 mAh/g at a rate of 2 A/g (2 C) while retaining structural integrity as compared to pure Sn electrodeposited (without heat-treatment) on the nickel scaffold.

Study of formation mechanism of incipient melting in thixo-cast Al–Si–Cu–Mg alloys

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

Du, Kang, E-mail: du126kang@126.com; Zhu, Qiang, E-mail: zhu.qiang@grinm.com; Li, Daquan, E-mail: lidaquan@grinm.com

Mechanical properties of thixo-cast Al–Si–Cu–Mg alloys can be enhanced by T61 heat treatment. Copper and magnesium atoms in aluminum matrix can form homogeneously distributed precipitations after solution and aging treatment which harden the alloys. However, microsegregation of these alloying elements could form numerous tiny multi-compound phases during solidification. These phases could cause incipient melting defects in subsequent heat treatment process and degrade the macro-mechanical properties of productions. This study is to present heterogeneous distribution of Cu, Si, and Mg elements and formation of incipient melting defects (pores). In this study, incipient melting pores that occurred during solution treatment at variousmore » temperatures, even lower than common melting points of various intermetallic phases, were identified, in terms of a method of investigating the same surface area in the samples before and after solution treatment in a vacuum environment. The results also show that the incipient melting mostly originates at the clusters with fine intermetallic particles while also some at the edge of block-like Al{sub 2}Cu. The fine particles were determined being Al{sub 2}Cu, Al{sub 5}Cu{sub 2}Mg{sub 8}Si{sub 6} and Al{sub 8}Mg{sub 3}FeSi{sub 2}. Tendency of the incipient melting decreases with decreases of the width of the clusters. The formation mechanism of incipient melting pores in solution treatment process was discussed using both the Fick law and the LSW theory. Finally, a criterion of solution treatment to avoid incipient melting pores for the thixo-cast alloys is proposed. - Highlights: • In-situ comparison technique was used to analysis the change of eutectic phases. • The ralationship between eutectic phase size and incipient melting was studied. • Teat treatment criterion for higher incipient melting resistance was proposed.« less

Improving Joint Formation and Tensile Properties of Dissimilar Friction Stir Welding of Aluminum and Magnesium Alloys by Solving the Pin Adhesion Problem

NASA Astrophysics Data System (ADS)

Liu, Zhenlei; Ji, Shude; Meng, Xiangchen

2018-03-01

Friction stir welding (FSW), as a solid-state welding technology invented by TWI in 1991, has potential to join dissimilar Al/Mg alloys. In this study, the pin adhesion phenomenon affecting joint quality during FSW of 6061-T6 aluminum and AZ31B magnesium alloys was investigated. The adhesion phenomenon induced by higher heat input easily transformed the tapered-and-screwed pin into a tapered pin, which greatly reduced the tool's ability to drive the plasticized materials and further deteriorated joint formation. Under the condition without the pin adhesion, the complex intercalated interlayer at the bottom of stir zone was beneficial to mechanical interlocking of Al/Mg alloys, improving tensile properties. However, the formation of intermetallic compounds was still the main reason of the joint fracture, significantly deteriorating tensile properties. Under the welding speed of 60 mm/min without the pin adhesion phenomenon, the maximum tensile strength of 107 MPa and elongation of 1.2% were achieved.

Synthesis, Structure and bonding Analysis of the Polar Intermetallic Phase Ca2Pt2Cd

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

Samal, Saroj L.; Corbett, John D.

The polar intermetallic phase Ca2Pt2Cd was discovered during explorations of the Ca-Pt-Cd system. The compound was synthesized by high temperature reactions, and its structure refined by single-crystal X-ray diffraction as orthorhombic, Immm, a = 4.4514(5), b = 5.8415(6), c = 8.5976(9) Å, Z = 2. The structure formally contains infinite, planar networks of [Pt2Cd]4– along the ab plane, which can be described as tessellation of six and four-member rings of the anions, with cations stuffed between the anion layers. The infinite condensed platinum chains show a substantial long–short distortion of 0.52 Å, an appreciable difference between Ca2Pt2Cd (26 valence electrons)more » and the isotypic but regular Ca2Cu2Ga (29 VE). The relatively large cation proportion diminishes the usual dominance of polar (Pt–Cd) and 5d–5d (Pt–Pt) contributions to the total Hamilton populations.« less

Processing, phase equilibria and environmental degradation of molybdenum (silicom,aluminum)(2) intermetallic compound

NASA Astrophysics Data System (ADS)

Eason, Paul Duane

The Mo(Si,Al)2 C40 compound was chosen for investigation as a possible high temperature structural material. To produce the C40 phase, several processing routes were explored with emphasis on obtaining microstructure/property relationships (i.e. control of grain size and minimization of secondary phases). To facilitate processing of single phase material, the phase equilibria of the Mo-Si-Al ternary system were reevaluated with respect to the phases adjacent to the C40 compound. An anomalous environmental degradation appeared to be the primary obstacle to further study of the compound and was investigated accordingly. Several processing routes were assessed for the production of dense, nearly single-phase Mo(Si,Al)2. Hot powder compaction was chosen as the method of sample production as is the case with many refractory silicide based materials. Therefore, variations in the processing techniques came from the choice of precursor materials and methods of powder production. Mechanical alloying, arc-melting and comminution, and blending of both elemental and compound powders were all employed to produce charges for hot uniaxial pressing. The final compacts were compared on the basis of density, grain size and presence of secondary phases. Establishment of a Mo-Si-Al ternary isothermal phase diagram at 1400°C was performed. Multiphase alloy compositions were selected to identify the phase boundaries of the C40, C54, T1 and Mo3Al8 phase fields, as well as to verify the existence of the C54 phase at 1400°C. The alloys were equilibrated by heat treatment and analyzed for phase identification and quantitative compositional information. The environmental degradation phenomenon was approached as a classical "pest" with an emphasis of study on grain boundary chemistry and atmospheric dependence of attack. Both Auger spectroscopy and electron microscopy revealed carbon-impurity-induced grain boundary segregation responsible for the embrittlement and material loss. Means of

On the Functionality of Complex Intermetallics: Frustration, Chemical Pressure Relief, and Potential Rattling Atoms in Y11Ni60C6.

PubMed

Guo, Yiming; Fredrickson, Daniel C

2016-10-17

Intermetallic carbides provide excellent model systems for exploring how frustration can shape the structures and properties of inorganic materials. Combinations of several metals with carbon can be designed in which the formation of tetrahedrally close-packed (TCP) intermetallics conflicts with the C atoms' requirement of trigonal prismatic or octahedral coordination environments, as offered by the simple close-packings (SCP) of equally sized spheres. In this Article, we explore the driving forces that lead to the coexistence of these incompatible arrangements in the Yb 11 Ni 60 C 6 -type compound Y 11 Ni 60 C 6 (cI154), as well as potential consequences of this intergrowth for the phase's physical properties. Our focus begins on the structure's SCP regions, which appear as C-stuffed versions of a AuCu 3 -type YNi 3 phase that is not observed on its own in the Y-Ni system. DFT-Chemical Pressure (DFT-CP) calculations on this hypothetical YNi 3 phase reveal large negative pressures within the Ni sublattice, as it is stretched to accommodate the size requirements of the Y atoms. In the Y 11 Ni 60 C 6 structure, two structural mechanisms for addressing these CP issues appear: the incorporation of interstitial C atoms, and the presence of interfaces with CaCu 5 -type domains. The relative roles of these two mechanisms are investigated with the CP analysis on a hypothetical YNi 3 C x series of C-stuffed AuCu 3 -type phases, the Y-Ni sublattice of Y 11 Ni 60 C 6 , and finally the full Y 11 Ni 60 C 6 structure. Through these calculations, the C atoms appear to play the roles of relieving positive Y CPs and supporting relaxation at the AuCu 3 -type/CaCu 5 -type interfaces, where the cancellation occurs between opposite CPs experienced by the Y atoms in the two parent structures (following the epitaxial stabilization mechanism). The CP analysis of Y 11 Ni 60 C 6 also highlights a sublattice of Y and Ni atoms with large negative CPs (and thus the potential for soft

Friction stir welding joint of dissimilar materials between AZ31B magnesium and 6061 aluminum alloys: Microstructure studies and mechanical characterizations

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

Mohammadi, J.; Behnamian, Y.; Mostafaei, A., E-mail: amir.mostafaei@gmail.com

2015-03-15

Friction stir welding is an efficient manufacturing method for joining dissimilar alloys, which can dramatically reduce grain sizes and offer high mechanical joint efficiency. Lap FSW joints between dissimilar AZ31B and Al 6061 alloy sheets were made at various tool rotation and travel speeds. Rotation and travel speeds varied between 560–1400 r/min and 16–40 mm/min respectively, where the ratio between these parameters was such that nearly constant pitch distances were applied during welding. X-ray diffraction pattern (XRD), optical microscopy images (OM), electron probe microanalysis (EPMA) and scanning electron microscopy equipped with an energy-dispersive X-ray spectroscopy (SEM-EDS) were used to investigatemore » the microstructures of the joints welded. Intermetallic phases including Al{sub 12}Mg{sub 17} (γ) and Al{sub 3}Mg{sub 2} (β) were detected in the weld zone (WZ). For different tool rotation speeds, the morphology of the microstructure in the stir zone changed significantly with travel speed. Lap shear tensile test results indicated that by simultaneously increasing the tool rotation and travel speeds to 1400 r/min and 40 mm/min, the joint tensile strength and ductility reached a maximum. Microhardness measurements and tensile stress–strain curves indicated that mechanical properties were affected by FSW parameters and mainly depended on the formation of intermetallic compounds in the weld zone. In addition, a debonding failure mode in the Al/Mg dissimilar weld nugget was investigated by SEM and surface fracture studies indicated that the presence of intermetallic compounds in the weld zone controlled the failure mode. XRD analysis of the fracture surface indicated the presence of brittle intermetallic compounds including Al{sub 12}Mg{sub 17} (γ) and Al{sub 3}Mg{sub 2} (β). - Highlights: • Dissimilar Al/Mg joint was obtained by lap friction stir welding technique. • Effect of rotation and travel speeds on the formation of intermetallic

Polar Intermetallics Pr 5Co 2Ge 3 and Pr 7Co 2Ge 4 With Planar Hydrocarbon-Like Metal Clusters

DOE PAGES

Lin, Qisheng; Aguirre, Kaiser; Saunders, Scott M.; ...

2017-06-19

Planar hydrocarbon-like metal clusters may foster new insights linking organic molecules with conjugated π-π bonding interactions and inorganic structures in terms of their bonding characteristics. However, such clusters are uncommon in polar intermetallics. Herein, we report two polar intermetallic phases, Pr 5Co 2Ge 3 and Pr 7Co 2Ge 4, both of which feature such planar metal clusters, viz., ethylene-like [Co 2Ge 4] clusters plus the concatenated forms and polyacene-like [Co 2Ge 2] n ribbons in Pr 5Co 2Ge 3, and 1,2,4,5-tetramethylbenzene-like [Co4Ge6] cluster in Pr 7Co 2Ge 4. Just as in the related planar organic structures, these metal-metalloid species aremore » dominated by covalent bonding interactions. Both compounds magnetically order at low temperature with net ferromagnetic components: Pr 5Co 2Ge 3 via a series of transitions below 150 K; and Pr 7Co 2Ge 4 via a single ferromagnetic transition at 19 K. Spin-polarized electronic structure calculations for Pr 7Co 2Ge 4 reveal strong spin-orbit coupling within Pr and considerable magnetic contributions from Co atoms. This work suggests that similar structural chemistry can emerge for other rare earth-late transition metal-main group systems.« less

Reactions of hypoiodous acid with model compounds and the formation of iodoform in absence/presence of permanganate.

PubMed

Zhao, Xiaodan; Ma, Jun; von Gunten, Urs

2017-08-01

The kinetics for the reactions of hypoiodous acid (HOI) with various phenols (phenol, 4-nitrophenol, 4-hydroxybenzoic acid), 3-oxopentanedioic acid (3-OPA) and flavone were investigated in the pH range of 6.0-11.0. The apparent second order rate constants for the reactions of HOI with phenolic compounds, 3-OPA, flavone and citric acid at pH 8.0 are 10-10 7  M -1 s -1 , (4.0 ± 0.3) × 10 3  M -1 s -1 , (2.5 ± 0.2) × 10 3  M -1 s -1 and <1 M -1 s -1 , respectively. The effect of buffer type and concentration was investigated with acetate, phosphate and borate. All tested buffers promote the HOI reactions with phenols. The percentage of iodine incorporation for various (hydroxyl)phenolic compounds and two NOM extracts ranges from 5% to 98%, indicating that electrophilic aromatic substitution and/or electron transfer can occur. The extent of these reactions depends on the number and relative position of the hydroxyl moieties on the phenolic compounds. Iodoform formation rates increase with increasing pH and iodoform yields increase from 9% to 67% for pH 6.0-10.0 for the HOI/3-OPA reactions. In the permanganate/HOI/3-OPA and permanganate/iodide/3-OPA system at pH < 8.0, iodoform formation is elevated compared to the HOI/3-OPA system in absence of permanganate. For pH > 8.0, in presence of permanganate, iodoform formation is significantly inhibited and iodate formation enhanced, which is due to a faster permanganate-mediated HOI disproportionation to iodate compared to the iodination process. The production of reactive iodine in real waters containing iodide in contact with permanganate may lead to the formation of iodinated organic compounds. Copyright © 2017 Elsevier Ltd. All rights reserved.

Characterization of ceramics and intermetallics fabricated by self-propagating high-temperature synthesis

NASA Technical Reports Server (NTRS)

Hurst, Janet B.

1989-01-01

Three efforts aimed at investigating the process of self-propagating high temperature synthesis (SHS) for the fabrication of structural ceramics and intermetallics are summarized. Of special interest was the influence of processing variables such as exothermic dopants, gravity, and green state morphology in materials produced by SHS. In the first effort directed toward the fabrication of SiC, exothermic dopants of yttrium and zirconium were added to SiO2 or SiO2 + NiO plus carbon powder mix and processed by SHS. This approach was unsuccessful since it did not produce the desired product of crystalline SiC. In the second effort, the influence of gravity was investigated by examining Ni-Al microstructures which were produced by SHS combustion waves traveling with and opposite the gravity direction. Although final composition and total porosities of the combusted Ni-Al compounds were found to be gravity independent, larger pores were created in those specimens which were combusted opposite to the gravity force direction. Finally, it was found that green microstructure has a significant effect on the appearance of the combusted piece. Severe pressing laminations were observed to arrest the combustion front for TiC samples.

Potential of select intermediate-volatility organic compounds and consumer products for secondary organic aerosol and ozone formation under relevant urban conditions

NASA Astrophysics Data System (ADS)

Li, Weihua; Li, Lijie; Chen, Chia-li; Kacarab, Mary; Peng, Weihan; Price, Derek; Xu, Jin; Cocker, David R.

2018-04-01

Emissions of certain low vapor pressure-volatile organic compounds (LVP-VOCs) are considered exempt to volatile organic compounds (VOC) regulations due to their low evaporation rates. However, these compounds may still play a role in ambient secondary organic aerosol (SOA) and ozone formation. The LVP-VOCs selected for this work are categorized as intermediate-volatility organic compounds (IVOCs) according to their vapor pressures and molecular formulas. In this study, the evaporation rates of 14 select IVOCs are investigated with half of them losing more than 95% of their mass in less than one month. Further, SOA and ozone formation are presented from 11 select IVOCs and 5 IVOC-containing generic consumer products under atmospherically relevant conditions using varying radical sources (NOx and/or H2O2) and a surrogate reactive organic gas (ROG) mixture. Benzyl alcohol (0.41), n-heptadecane (0.38), and diethylene glycol monobutyl ether (0.16) are determined to have SOA yields greater than 0.1 in the presence of NOx and a surrogate urban hydrocarbon mixture. IVOCs also influence ozone formation from the surrogate urban mixture by impacting radical levels and NOx availability. The addition of lab created generic consumer products has a weak influence on ozone formation from the surrogate mixture but strongly affects SOA formation. The overall SOA and ozone formation of the generic consumer products could not be explained solely by the results of the pure IVOC experiments.

Harnessing redox activity for the formation of uranium tris(imido) compounds

NASA Astrophysics Data System (ADS)

Anderson, Nickolas H.; Odoh, Samuel O.; Yao, Yiyi; Williams, Ursula J.; Schaefer, Brian A.; Kiernicki, John J.; Lewis, Andrew J.; Goshert, Mitchell D.; Fanwick, Phillip E.; Schelter, Eric J.; Walensky, Justin R.; Gagliardi, Laura; Bart, Suzanne C.

2014-10-01

Classically, late transition-metal organometallic compounds promote multielectron processes solely through the change in oxidation state of the metal centre. In contrast, uranium typically undergoes single-electron chemistry. However, using redox-active ligands can engage multielectron reactivity at this metal in analogy to transition metals. Here we show that a redox-flexible pyridine(diimine) ligand can stabilize a series of highly reduced uranium coordination complexes by storing one, two or three electrons in the ligand. These species reduce organoazides easily to form uranium-nitrogen multiple bonds with the release of dinitrogen. The extent of ligand reduction dictates the formation of uranium mono-, bis- and tris(imido) products. Spectroscopic and structural characterization of these compounds supports the idea that electrons are stored in the ligand framework and used in subsequent reactivity. Computational analyses of the uranium imido products probed their molecular and electronic structures, which facilitated a comparison between the bonding in the tris(imido) structure and its tris(oxo) analogue.

Outbursts formation on low carbon and trip steel grades during hot-dip galvanisation

NASA Astrophysics Data System (ADS)

Petit, E. J.; Lamm, L.; Gilles, M.

2004-12-01

Low carbon and TRIP grade steels have been hot dip galvanised in order to study outbursts formation. Microstructure and texture of intermetallic phases have been observed after selective electrochemical etching by scanning electron microscopy. Potential versus time (chronopotentiometric) characteristics were recorded in order to monitor surface modifications. This combination of techniques enable to quantify and observe intermetallic phase one by one. The overall thickness of coating on both substrates are similar. However, microstructures of Fe-Zn intermetallic phases are very different on both grades. In particular, the V phase is dense on standard steel but develops a highly branched filament structure on TRIP steel. The transformation of V phase to d and G1 are limited on TRIP steel. Differences of texture provide clues for understanding mechanisms of formation of outbursts. They can account for the differences of mechanical properties and corrosion resistance. Silicon from the substrate influences the reactivity of TRIP steels due to capping and local reactions. La formation des outbursts a été étudiée sur un acier bas carbone et sur un acier TRIP galvanisés. Les épaisseurs des revêtements sont similaires. Néanmoins, les observations microscopiques et les érosions électrochimiques montrent que la répartition des phases intermétalliques et leurs microstructures diffèrent sensiblement en fonction de la nature du substrat. Ces différences expliquent les propriétés mécaniques et anticorrosions. L’encapsulation de la surface par les oxydes de silicium freine la transformation de la phase dzêta en delta et gamma sur l’acier TRIP.

Short-range order of undercooled melts of PdZr2 intermetallic compound studied by X-ray and neutron scattering experiments

NASA Astrophysics Data System (ADS)

Klein, S.; Holland-Moritz, D.; Herlach, D. M.; Mauro, N. A.; Kelton, K. F.

2013-05-01

The short-range order in undercooled melts of the intermetallic Zr2Pd glass-forming alloy is investigated by combining electrostatic levitation (ESL) with high-energy X-ray diffraction and neutron diffraction. Experimentally determined structure factors are measured and analyzed with respect to various structures of short-range order. The comparative X-ray and neutron scattering experiments allow for investigations of topological and chemical short-range order. Based on these studies, no preference of a specific short-range order is found for the liquid Zr2Pd glass-forming alloy, even in the metastable state of the deeply undercooled melt. This is in agreement with an earlier report from X-ray diffraction and molecular-dynamics studies of a Zr75.5Pd24.5 liquid, which showed a broad distribution of cluster types. The results for the Zr2Pd liquid are discussed with respect to the glass-forming ability of this melt.

Size-dependent disorder-order transformation in the synthesis of monodisperse intermetallic PdCu nanocatalysts

DOE PAGES

Wang, Chenyu; Chen, Dennis P.; Unocic, Raymond R.; ...

2016-05-23

The high performance of Pd-based intermetallic nanocatalysts has the potential to replace Pt-containing catalysts for fuel-cell reactions. Conventionally, intermetallic particles are obtained through the annealing of nanoparticles of a random alloy distribution. However, this method inevitably leads to sintering of the nanoparticles and generates polydisperse samples. Here, monodisperse PdCu nanoparticles with the ordered B2 phase were synthesized by seed-mediated co-reduction using PdCu nanoparticle seeds with a random alloy distribution (A1 phase). A time-evolution study suggests that the particles must overcome a size-dependent activation barrier for the ordering process to occur. Characterization of the as-prepared PdCu B2 nanoparticles by electron microscopymore » techniques revealed surface segregation of Pd as a thin shell over the PdCu core. The ordered nanoparticles exhibit superior activity and durability for the oxygen reduction reaction in comparison with PdCu A1 nanoparticles. This seed-mediated co-reduction strategy produced monodisperse nanoparticles ideally suited for structure–activity studies. Furthermore, the study of their growth mechanism provides insights into the size dependence of disorder–order transformations of bimetallic alloys at the nanoscale, which should enable the design of synthetic strategies toward other intermetallic systems.« less

Structural, optoelectronic, and thermoelectric properties of AZn13 (A=Na, K, Ca, Sr, Ba) compounds

NASA Astrophysics Data System (ADS)

Basit, Abdul; Murtaza, G.; Mahmood, Asif; Yar, Abdullah; Muhammad, S.

2016-08-01

We report the structural, electronic, optical, and thermoelectric properties of the five cubic alkali-earth transition-metals AZn13 (A-Na, K, Ca, Sr, Ba) using density functional theory. Structural properties, electronic structures and optical behaviors are calculated explicitly via highly accurate contemporary full potential-linearized augmented plane wave (FP-LAPW) method. The investigated ground state data of these materials is quite close to the experimental information. The modified Becke-Johnson (mBJ) predicts the intermetallic nature of AZn13 (A-Na, K, Ca, Sr, Ba) materials. The complex dielectric function of these intermetallic compounds has been calculated and the observed noticeable peaks are examined through mBJ. With the help of complex dielectric function, the other important optical parameters like reflectivities, conductivities and refractive indices of AZn13 (A-Na, K, Ca, Sr, Ba) have been calculated as a function of energy. The optical response suggests that AZn13 (A-Na, K, Ca, Sr, Ba) compounds can be used for the optoelectronic devices. Further, the thermoelectric properties have been calculated through BoltzTraP program, the calculated values for different thermoelectric parameters recommend that these AZn13 (A-Na, K, Ca, Sr, Ba) materials are the suitable candidates for thermoelectric applications.

Synthesis of Au-induced structurally ordered AuPdCo intermetallic core-shell nanoparticles and their use as oxygen reduction catalysts

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

Kuttiyiel, Kurian A.; Sasaki, Kotaro; Adzic, Radoslav R.

Embodiments of the disclosure relate to intermetallic nanoparticles. Embodiments include nanoparticles having an intermetallic core including a first metal and a second metal. The first metal may be palladium and the second metal may be at least one of cobalt, iron, nickel, or a combination thereof. The nanoparticles may further have a shell that includes palladium and gold.

Site preference, magnetism and lattice vibrations of intermetallics Lu₂Fe 17–xT x (T=Cr, Mn, Ru)

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

Li, Jin-Chun; Qian, Ping, E-mail: qianpinghu@sohu.com; Zhang, Zhen-Feng

We present an atomistic study on the phase stability, site preference and lattice constants of the rare earth intermetallics Lu₂Fe 17–xT x (T=Cr, Mn, Ru). The calculated preferential occupation site of ternary element T is found to be the 4f site. The order of site preference is given as 4f, 12k, 12j and 6g for Lu₂Fe 17–xT x. The calculated lattice parameters are corresponding to the experimental results. We have calculated the magnetic moments of Lu₂Fe 17–xT x compounds. Results show that the calculated total magnetic moment of Lu₂Fe₁₇ compound is M=37.34 μ B/f.u. In addition, the total and partialmore » phonon densities of states are evaluated first for these complicated structures. - Graphical abstract: The vibrational modes are mostly excited by Fe atoms, Lu contributes to the lower frequencies modes, and the contribution of Ru atoms is the same as Fe atoms. Highlights: • There are no reports on lattice vibrations of Lu₂(Fe, T) 17–x (T=Cr, Mn, Ru) compounds. • The phase stability and site preference are evaluated first for the complex structures of Lu₂(Fe, T) 17–x (T=Cr, Mn, Ru) compounds. • The lattice inversion method to obtain the interatomic pair potential is the unique one.« less

Melt Spinning of Intermetallic Alloys: Heat Transfer and Microstructure

DTIC Science & Technology

1992-04-21

newly emerging mdLerials such as titanium aluminides and other intermetallic alloys[4,5]. These materials must possess good mechanical and corrosion...alloys such as titanium aluminides with the surrounding atmosphere, it utilizes a tilting water-cooled copper hearth and the apparatus is in a 5 psi Argon... titanium aluminide in the form of filament or ribbon break olf into short segments. The solidified ribbons have lengths of 5 - 15 mm, widths of 0.5

Layered Structures and Disordered Polyanionic Nets in the Cation-Poor Polar Intermetallics CsAu 1.4 Ga 2.8 and CsAu 2 Ga 2.6

DOE PAGES

Smetana, Volodymyr; Steinberg, Simon; Mudring, Anja-Verena

2016-12-27

Gold intermetallics are known for their unusual structures and bonding patterns. Two new compounds have been discovered in the cation-poor part of the Cs–Au–Ga system. We obtained both compounds directly by heating the elements at elevated temperatures. Structure determinations based on single-crystal X-ray diffraction analyses revealed two structurally and compositionally related formations: CsAu 1.4Ga 2.8 (I) and CsAu 2Ga 2.6 (II) crystallize in their own structure types (I: Rmore » $$\\bar{3}$$, a = 11.160(2) Å, c = 21.706(4) Å, Z = 18; II: R$$\\bar{3}$$, a = 11.106(1) Å, Å, c = 77.243(9) Å, Z = 54) and contain hexagonal cationic layers of cesium. Furthermore, this is a unique structural motif, which has never been observed for the other (lighter) alkali metals in combination with Au and post transition elements. The polyanionic part is characterized in contrast by Au/Ga tetrahedral stars, a structural feature that is characteristic for light alkali metal representatives, and disordered sites with mixed Au/Ga occupancies that occur in both structures with a more significant disorder in the polyanionic component of CsAu 2Ga 2.6. Examinations of the electronic band structure for a model approximating the composition of CsAu 1.4Ga 2.8 have been completed using density-functional-theory-based methods and reveal a deep pseudogap at E F. Bonding analysis by evaluating the crystal orbital Hamilton populations show dominant heteroatomic Au–Ga bonds and only a negligible contribution from Cs pairs.« less

Formation of Stoichiometric CsFn Compounds

PubMed Central

Zhu, Qiang; Oganov, Artem R.; Zeng, Qingfeng

2015-01-01

Alkali halides MX, have been viewed as typical ionic compounds, characterized by 1:1 ratio necessary for charge balance between M+ and X−. It was proposed that group I elements like Cs can be oxidized further under high pressure. Here we perform a comprehensive study for the CsF-F system at pressures up to 100 GPa, and find extremely versatile chemistry. A series of CsFn (n ≥ 1) compounds are predicted to be stable already at ambient pressure. Under pressure, 5p electrons of Cs atoms become active, with growing tendency to form Cs (III) and (V) valence states at fluorine-rich conditions. Although Cs (II) and (IV) are not energetically favoured, the interplay between two mechanisms (polyfluoride anions and polyvalent Cs cations) allows CsF2 and CsF4 compounds to be stable under pressure. The estimated defluorination temperatures of CsFn (n = 2,3,5) compounds at atmospheric pressure (218°C, 150°C, -15°C, respectively), are attractive for fluorine storage applications. PMID:25608669

Low temperature heat treatments of AA5754-Ti6Al4V dissimilar laser welds: Microstructure evolution and mechanical properties

NASA Astrophysics Data System (ADS)

Leo, P.; D'Ostuni, S.; Casalino, G.

2018-03-01

This paper presents the effects of the post welding heat treatments (PWHT) performed at 350 °C and 450 °C on the microstructure evolution and mechanical properties of AA5754 and Ti6Al4V dissimilar laser welds. The microstructure and tensile properties of the welds before and after low temperature treatment were analyzed. The off-set welding technique was applied to limit the formation of brittle intermetallic compounds during the welding process. The laser beam was directed onto the titanium side at a small distance from the aluminum edge. The keyhole formed and the full penetration was reached in the titanium side of the weld. Thereafter, the aluminum side melted as the heat that formed the keyhole transferred from the titanium fused zone. Two different energy lines (32 J/mm and 76 J/mm) were used. In this manner, a fused and a heat affected zones was revealed on both sides of the weld. Several intermetallic compounds formed in the intermetallic layer between the two metals. The thickness and the composition of the intermetallic layer depended on the welding parameters and the post welding heat treatment. The hardness and tensile properties of the welds before and after the post welding heat treatment were measured and analyzed.

The Kinetics of TiAl3 Formation in Explosively Welded Ti-Al Multilayers During Heat Treatment

NASA Astrophysics Data System (ADS)

Foadian, Farzad; Soltanieh, Mansour; Adeli, Mandana; Etminanbakhsh, Majid

2016-10-01

Metallic-intermetallic laminate (MIL) composites, including Ti/TiAl3 composite, are promising materials for many applications, namely, in the aerospace industry. One method to produce Ti/TiAl3 laminate composite is to provide close attachment between desired number of titanium and aluminum plates, so that by applying heat and/or pressure, the formation of intermetallic phases between the layers becomes possible. In this work, explosive welding was used to make a strong bond between six alternative Ti and Al layers. The welded samples were annealed at three different temperatures: 903 K, 873 K, and 843 K (630 °C, 600 °C, and 570 °C) in ambient atmosphere, and the variation of the intermetallic layer thickness was used to study the growth kinetics. Microstructural investigations were carried out on the welded and annealed samples using optical microscopy and scanning electron microscopy equipped with energy-dispersive X-ray spectrometer (EDS). X-ray diffraction (XRD) technique was used to identify the formed intermetallic phases. It was found that at each temperature, two different mechanisms govern the process: reaction controlled and diffusion controlled. The calculated values of activation energies for reaction-controlled and diffusion-controlled mechanisms are 232.1 and 17.4 kJ, respectively.

Oxidation of Half-Lantern Pt2(II,II) Compounds by Halocarbons. Evidence of Dioxygen Insertion into a Pt(III)-CH3 Bond.

PubMed

Sicilia, V; Baya, M; Borja, P; Martín, A

2015-08-03

The half-lantern compound [{Pt(bzq)(μ-N^S)}2] (1) [bzq = benzo[h]quinoline, HN^S = 2-mercaptopyrimidine (C4H3N2HS)] reacts with CH3I and haloforms CHX3 (X = Cl, Br, I) to give the corresponding oxidized diplatinum(III) derivatives [{Pt(bzq)(μ-N^S)X}2] (X = Cl 2a, Br 2b, I 2c). These compounds exhibit half-lantern structures with short intermetallic distances (∼2.6 Å) due to Pt-Pt bond formation. The halogen abstraction mechanisms from the halocarbon molecules by the Pt2(II,II) compound 1 were investigated. NMR spectroscopic evidence using labeled reagents support that in the case of (13)CH3I the reaction initiates with an oxidative addition through an SN2 mechanism giving rise to the intermediate species [I(bzq)Pt(μ-N^S)2Pt(bzq)((13)CH3)}]. However, with haloforms the reactions proceed through a radical-like mechanism, thermally (CHBr3, CHI3) or photochemically (CHCl3) activated, giving rise to mixtures of species [X(bzq)Pt(μ-N^S)2Pt(bzq)R] (3a-c) and [X(bzq)Pt(μ-N^S)2Pt(bzq)X] (2a-c). In these cases the presence of O2 favors the formation of species 2 over 3. Transformation of 3 into 2 was possible upon irradiation with UV light. In the case of [I(bzq)Pt(μ-N^S)2Pt(bzq)((13)CH3)}] (3d), in the presence of O2 the formation of the unusual methylperoxo derivative [I(bzq)Pt(μ-N^S)2Pt(bzq)(O-O(13)CH3)}] (4d) was detected, which in the presence of (13)CH3I rendered the final product [{Pt(bzq)(μ-N^S)I}2] (2c) and (13)CH3OH.

Dendrite segregation in Ni3Al-based intermetallic single crystals alloyed with Cr, Mo, W, Ti, Co, and Re

NASA Astrophysics Data System (ADS)

Drozdov, A. A.; Povarova, K. B.; Morozov, A. E.; Antonova, A. V.; Bulakhtina, M. A.; Alad'ev, N. A.

2015-07-01

The character of dendrite segregation in Ni3Al-based intermetallic VKNA-type alloy single crystals with a dendritic-cellular structure is studied. Distribution coefficient k d of an alloying element (AE) in the alloy during solidification k d = c d.a.I/ c 0 ( c 0 is the AE content in the alloy (liquid phase composition), c d.a.I is the AE content in primary dendrite arms of the alloy (in the solid phase)) and segregation coefficient k s = c d.a.I/ c i.d ( c i.d is the AE content in the interdendritic space) have been found. A comparative study of the dendrite segregation parameters in VKNA-nype Ni3Al-based intermetallic alloys and the well-known ZhS36-type nickel superalloy shows that the intermetallic alloys satisfy to the rule deduced for two- and three-component nickel-based superalloys: if an introduced AE increases the melting temperature of the basic metal, we have k d > 1 (Co, W, Re); if it decreases the melting temperature, we have k d < 1 (Al, Ti, Cr, Mo). Dendrite segregation coefficients k s are dependent on the proportion of the AE contents in the alloys. In nickel superalloys, the dendrite segregation of aluminum, tungsten, and rhenium is higher than that in the intermetallic alloys. The dendrite segregation coefficients of tungsten and rhenium is higher by a factor of 1.5-2 than that in the VKNA-type intermetallic alloys with a low content of refractory metals. This can be due to the retardation of diffusion of refractory metals in the solid phase of a nickel superalloy highly alloyed with these elements.

Environmental Effects in Niobium Base Alloys and Other Selected Intermetallic Compounds

DTIC Science & Technology

1991-04-30

formation of this surface layer requires that the oxide be more stable than the lowest oxide of the base metal. Figure 2 indicates the free energies of...such requirements for temperatures beyond 10500C are aluminum and silicon. Both of these elements form oxides with large, negative free energies of...Nb-Si, and Ta-Si systems. In attempting to develop alloys in which aluminum or silicon is selectively oxidized, the standard free energies of oxides

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

NASA Astrophysics Data System (ADS)

Adabifiroozjaei, Esmaeil; Koshy, Pramod; Rastkerdar, Ebad

2011-08-01

An experimental study was conducted to investigate the interfacial phenomena between an Al alloy and andalusite low-cement castables (LCCs) containing fixed contents of barium compounds (BaO, BaSO4, and BaCO3) at 1123 K and 1433 K (850 °C and 1160 °C) using the Alcoa cup test. Interfacial reaction products and phases formed during heat treatment of the refractory samples were characterized using scanning electron microscopy (SEM) coupled with energy dispersive spectrometry (EDS) and X-ray diffraction analysis (XRD). The addition of both BaO and BaSO4 led to a significant reduction of alloy penetration into the refractory. Hexa-celsian formation was observed in both these refractories, which drastically increased their corrosion resistance. Barite decomposition was observed at 1373 K (1100 °C) in the presence of alumina and silica, which was the precursor for hexa-celsian formation. Barium silicates were formed in all samples containing additives; however, this did not have any major influence on the corrosion resistance. Solidified eutectics of BaSi2 and α-BaAl2Si2 formed in all these samples, which acted as an interfacial barrier that prevented additional molten aluminum penetration; however, the positive effect of intermetallic formation was offset by glassy phase formation in samples containing BaCO3 as the additive.

Synthesis of Pt 3Y and Other Early–Late Intermetallic Nanoparticles by Way of a Molten Reducing Agent

DOE PAGES

Kanady, Jacob S.; Leidinger, Peter; Haas, Andreas; ...

2017-03-29

Early–late intermetallic phases have garnered increased attention recently for their catalytic properties. To achieve the high surface areas needed for industrially relevant applications, these phases must be synthesized as nanoparticles in a scalable fashion. Herein, Pt 3Y—targeted as a prototypical example of an early–late intermetallic—has been synthesized as nanoparticles approximately 5–20 nm in diameter via a solution process and characterized by XRD, TEM, EDS, and XPS. The key development is the use of a molten borohydride (MEt 3BH, M = Na, K) as both the reducing agent and reaction medium. Readily available halide precursors of the two metals are used.more » Accordingly, no organic ligands are necessary, as the resulting halide salt byproduct prevents sintering, which further permits dispersion of the nanoscale intermetallic onto a support. The versatility of this approach was validated by the synthesis of other intermetallic phases such as Pt 3Sc, Pt 3Lu, Pt 2Na, and Au 2Y.« less

Synthesis of Pt 3Y and Other Early–Late Intermetallic Nanoparticles by Way of a Molten Reducing Agent

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

Kanady, Jacob S.; Leidinger, Peter; Haas, Andreas

Early–late intermetallic phases have garnered increased attention recently for their catalytic properties. To achieve the high surface areas needed for industrially relevant applications, these phases must be synthesized as nanoparticles in a scalable fashion. Herein, Pt 3Y—targeted as a prototypical example of an early–late intermetallic—has been synthesized as nanoparticles approximately 5–20 nm in diameter via a solution process and characterized by XRD, TEM, EDS, and XPS. The key development is the use of a molten borohydride (MEt 3BH, M = Na, K) as both the reducing agent and reaction medium. Readily available halide precursors of the two metals are used.more » Accordingly, no organic ligands are necessary, as the resulting halide salt byproduct prevents sintering, which further permits dispersion of the nanoscale intermetallic onto a support. The versatility of this approach was validated by the synthesis of other intermetallic phases such as Pt 3Sc, Pt 3Lu, Pt 2Na, and Au 2Y.« less

Compound formation and superconductivity in Au-Si: X-ray absorption measurements on ion-beam-mixed Au-Si films

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

Jeon, Y.; Jisrawi, N.; Liang, G.

Multilayered Au-Si thin films have been deposited with the net compositions ''Au/sub 1-//sub x/Si/sub x/,'' x = 0.29, 0.5, and 0.8. After ion-beam mixing these films exhibited superconductivity in the 0.3--1.2 K range despite the nonsuperconducting character of both Au and Si. Near-edge x-ray absorption spectroscopy (XAS) measurements on the Au L/sub 3/ edge in these films indicate that metastable Au-Si compound formation occurs in these ion-mixed materials. Specifically, the XAS measurements indicate changes in Au 5d-orbital occupancy and changes in the local Au structural environment which are both consistent with local compound formation.

Method of manufacturing superconductor wire

DOEpatents

Motowidlo, Leszek

2014-09-16

A method for forming Nb.sub.3Sn superconducting wire is provided. The method employs a powder-in-tube process using a high-tin intermetallic compound, such as MnSn.sub.2, for producing the Nb.sub.3Sn. The use of a high-tin intermetallic compound enables the process to perform hot extrusion without melting the high-tin intermetallic compound. Alternatively, the method may entail drawing the wire without hot extrusion.

Hydrogen storage and phase transformations in Mg-Pd nanoparticles

NASA Astrophysics Data System (ADS)

Callini, E.; Pasquini, L.; Rude, L. H.; Nielsen, T. K.; Jensen, T. R.; Bonetti, E.

2010-10-01

Microstructure refinement and synergic coupling among different phases are currently explored strategies to improve the hydrogen storage properties of traditional materials. In this work, we apply a combination of these methods and synthesize Mg-Pd composite nanoparticles by inert gas condensation of Mg vapors followed by vacuum evaporation of Pd clusters. Irreversible formation of the Mg6Pd intermetallic phase takes place upon vacuum annealing, resulting in Mg/Mg6Pd composite nanoparticles. Their hydrogen storage properties are investigated and connected to the undergoing phase transformations by gas-volumetric techniques and in situ synchrotron radiation powder x-ray diffraction. Mg6Pd transforms reversibly into different Mg-Pd intermetallic compounds upon hydrogen absorption, depending on temperature and pressure. In particular, at 573 K and 1 MPa hydrogen pressure, the metal-hydride transition leads to the formation of Mg3Pd and Mg5Pd2 phases. By increasing the pressure to 5 MPa, the Pd-richer MgPd intermetallic is obtained. Upon hydrogen desorption, the Mg6Pd phase is reversibly recovered. These phase transformations result in a specific hydrogen storage capacity associated with Mg-Pd intermetallics, which attain the maximum value of 3.96 wt % for MgPd and influence both the thermodynamics and kinetics of hydrogen sorption in the composite nanoparticles.

Microstructure and mechanical properties of diffusion bonded W/steel joint using V/Ni composite interlayer

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

Liu, W.S.; Cai, Q.S., E-mail: cai2009pm@163.com; Ma, Y.Z.

2013-12-15

Diffusion bonding between W and steel using V/Ni composite interlayer was carried out in vacuum at 1050 °C and 10 MPa for 1 h. The microstructural examination and mechanical property evaluation of the joints show that the bonding of W to steel was successful. No intermetallic compound was observed at the steel/Ni and V/W interfaces for the joints bonded. The electron probe microanalysis and X-ray diffraction analysis revealed that Ni{sub 3}V, Ni{sub 2}V, Ni{sub 2}V{sub 3} and NiV{sub 3} were formed at the Ni/V interface. The tensile strength of about 362 MPa was obtained for as-bonded W/steel joint and themore » failure occurred at W near the V/W interface. The nano-indentation test across the joining interfaces demonstrated the effect of solid solution strengthening and intermetallic compound formation in the diffusion zone. - Highlights: • Diffusion bonding of W to steel was realized using V/Ni composite interlayer. • The interfacial microstructure of the joint was clarified. • Several V–Ni intermetallic compounds were formed in the interface region. • The application of V/Ni composite interlayer improved the joining quality.« less

Incorporation of Interfacial Intermetallic Morphology in Fracture Mechanism Map for Sn-Ag-Cu Solder Joints

NASA Astrophysics Data System (ADS)

Huang, Z.; Kumar, P.; Dutta, I.; Sidhu, R.; Renavikar, M.; Mahajan, R.

2014-01-01

A fracture mechanism map (FMM) is a powerful tool which correlates the fracture behavior of a material to its microstructural characteristics in an explicit and convenient way. In the FMM for solder joints, an effective thickness of the interfacial intermetallic compound (IMC) layer ( t eff) and the solder yield strength ( σ ys,eff) are used as abscissa and ordinate axes, respectively, as these two predominantly affect the fracture behavior of solder joints. Earlier, a definition of t eff, based on the uniform thickness of IMC ( t u) and the average height of the IMC scallops ( t s), was proposed and shown to aptly explain the fracture behavior of solder joints on Cu. This paper presents a more general definition of t eff that is more widely applicable to a range of metallizations, including Cu and electroless nickel immersion gold (ENIG). Using this new definition of t eff, mode I FMM for SAC387/Cu joints has been updated and its validity was confirmed. A preliminary FMM for SAC387/Cu joints with ENIG metallization is also presented.

X-ray structural study of intermetallic alloys RT{sub 2}Si and RTSi{sub 2} (R=rare earth, T=noble metal)

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

Gribanov, Alexander, E-mail: avgri@mail.r; Chemistry Department of the Moscow State University, Leninskie Gory, GSP-1, 119991 Moscow; Grytsiv, Andriy

Two series of intermetallic alloys, RT{sub 2}Si and RTSi{sub 2}, have been synthesized from stoichiometric compositions. The crystal structures of EuPt{sub 1+x}Si{sub 2-x} (CeNiSi{sub 2}-type), CeIr{sub 2}Si (new structure type), YbPd{sub 2}Si and YbPt{sub 2}Si (both YPd{sub 2}Si-type) have been elucidated from X-ray single crystal CCD data, which were confirmed by XPD experiments. The crystal structures of LaRh{sub 2}Si and LaIr{sub 2}Si (CeIr{sub 2}Si-type), {l_brace}La,Ce,Pr,Nd{r_brace}AgSi{sub 2} (all TbFeSi{sub 2}-type), and EuPt{sub 2}Si (inverse CeNiSi{sub 2}-type) were characterized by XPD data. RT{sub 2}Si/RTSi{sub 2} compounds were neither detected in as-cast alloys Sc{sub 25}Pt{sub 50}Si{sub 25}, Eu{sub 25}Os{sub 25}Si{sub 50} and Eu{submore » 25}Rh{sub 25}Si{sub 50} nor after annealing at 900 {sup o}C. Instead, X-ray single crystal data prompted Eu{sub 2}Os{sub 3}Si{sub 5} (Sc{sub 2}Fe{sub 3}Si{sub 5}-type) and EuRh{sub 2+x}Si{sub 2-x} (x=0.04, ThCr{sub 2}Si{sub 2}-type) as well as a new structure type for Sc{sub 2}Pt{sub 3}Si{sub 2} (own type). - Graphical abstract: Two series of the intermetallic compounds, RT{sub 2}Si and RTSi{sub 2}, have been investigated by X-ray diffraction methods. The new tetragonal CeIr{sub 2}Si-type of the crystal structure was described and the interrelation between orthorhombic CeNiSi{sub 2} and tetragonal CeIr{sub 2}Si had been discussed as a similar packing of the BaAl{sub 4} and AlB{sub 2} slabs.« less

Water vapor effect on high-temperature oxidation behavior of Fe3Al intermetallics

PubMed Central

Chevalier, Sebastian; Juzon, Pitor; Przybylski, Kazimierz; Larpin, Jean-Pierre

2009-01-01

Fe3Al intermetallics (Fe3Al, Fe3Al-Zr, Fe3Al-Zr,Mo and Fe3Al-Zr, Mo, Nb) were oxidized at 950 °C in dry and humid (11 vol% water) synthetic air. Thermogravimetric measurements showed that the oxidation rates of the tested intermetallics were lower in humid air than in dry air (especially for Fe3Al-Zr, Mo and Fe3Al-Zr, Mo, Nb). The addition of small amounts of Zr, Mo or Nb improved the kinetics compared with that of the undoped Fe3Al. Fe3Al showed massive spallation, whereas Fe3Al-Zr, Fe3Al-Zr, Mo and Fe3Al-Zr, Mo, Nb produced a flat, adherent oxide layer. The rapid transformation of transient alumina into alpha alumina may explain the decrease in the oxidation rate in humid air. PMID:27877306

Design of co-existence parallel periodic surface structure induced by picosecond laser pulses on the Al/Ti multilayers

NASA Astrophysics Data System (ADS)

Petrović, Suzana; Peruško, D.; Kovač, J.; Panjan, P.; Mitrić, M.; Pjević, D.; Kovačević, A.; Jelenković, B.

2017-09-01

Formation of periodic nanostructures on the Ti/5x(Al/Ti)/Si multilayers induced by picosecond laser pulses is studied in order to better understand the formation of a laser-induced periodic surface structure (LIPSS). At fluence slightly below the ablation threshold, the formation of low spatial frequency-LIPSS (LSFL) oriented perpendicular to the direction of the laser polarization is observed on the irradiated area. Prolonged irradiation while scanning results in the formation of a high spatial frequency-LIPSS (HSFL), on top of the LSFLs, creating a co-existence parallel periodic structure. HSFL was oriented parallel to the incident laser polarization. Intermixing between the Al and Ti layers with the formation of Al-Ti intermetallic compounds was achieved during the irradiation. The intermetallic region was formed mostly within the heat affected zone of the sample. Surface segregation of aluminium with partial ablation of the top layer of titanium was followed by the formation of an ultra-thin Al2O3 film on the surface of the multi-layered structure.

Thermomechanical processing of plasma sprayed intermetallic sheets

DOEpatents

Hajaligol, Mohammad R.; Scorey, Clive; Sikka, Vinod K.; Deevi, Seetharama C.; Fleischhauer, Grier; Lilly, Jr., A. Clifton; German, Randall M.

2001-01-01

A powder metallurgical process of preparing a sheet from a powder having an intermetallic alloy composition such as an iron, nickel or titanium aluminide. The sheet can be manufactured into electrical resistance heating elements having improved room temperature ductility, electrical resistivity, cyclic fatigue resistance, high temperature oxidation resistance, low and high temperature strength, and/or resistance to high temperature sagging. The iron aluminide has an entirely ferritic microstructure which is free of austenite and can include, in weight %, 4 to 32% Al, and optional additions such as .ltoreq.1% Cr, .gtoreq.0.05% Zr .ltoreq.2% Ti, .ltoreq.2% Mo, .ltoreq.1% Ni, .ltoreq.0.75% C, .ltoreq.0.1% B, .ltoreq.1% submicron oxide particles and/or electrically insulating or electrically conductive covalent ceramic particles, .ltoreq.1% rare earth metal, and/or .ltoreq.3% Cu. The process includes forming a non-densified metal sheet by consolidating a powder having an intermetallic alloy composition such as by roll compaction, tape casting or plasma spraying, forming a cold rolled sheet by cold rolling the non-densified metal sheet so as to increase the density and reduce the thickness thereof and annealing the cold rolled sheet. The powder can be a water, polymer or gas atomized powder which is subjecting to sieving and/or blending with a binder prior to the consolidation step. After the consolidation step, the sheet can be partially sintered. The cold rolling and/or annealing steps can be repeated to achieve the desired sheet thickness and properties. The annealing can be carried out in a vacuum furnace with a vacuum or inert atmosphere. During final annealing, the cold rolled sheet recrystallizes to an average grain size of about 10 to 30 .mu.m. Final stress relief annealing can be carried out in the B2 phase temperature range.

Characterisation and modelling of defect formation in direct-chill cast AZ80 alloy

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

Mackie, D.; Robson, J.D.; Withers, P.J.

2015-06-15

Wrought magnesium alloys for demanding structural applications require high quality defect free cast feedstock. The aim of this study was to first identify and characterise typical defects in direct chill cast magnesium–aluminium–zinc (AZ) alloy billet and then use modelling to understand the origins of these defects so they can be prevented. Defects were first located using ultrasonic inspection and were then characterised using X-ray computed tomography (XCT) and serial sectioning, establishing the presence of oxide films and intermetallic particles Al{sub 8}Mn{sub 5} in all defects. A model was developed to predict the flow patterns and growth kinetics of the intermetallicmore » phases during casting, which influence the formation of defects. Simulation of the growth of the intermetallic particles demonstrated that precipitation from the liquid occurs in the mould. The combination of the entrained oxide films and intermetallic particles recirculates in the liquid metal and continues to grow, until large enough to settle, which is predicted to occur at the centre of the mould where the flow is the slowest. Based on these predictions, strategies to reduce the susceptibility to defect formation are suggested. - Highlights: • Casting defects in magnesium direct chill casting have been imaged and characterised in 3-dimensions. • The occurrences of co-located clusters of particles and oxide films have been characterised and explained. • A coupled model has been developed to help interpret the observed trend for defects located towards the centre of billets.« less

Chemistry of Volatile Organic Compounds in the Los Angeles Basin: Formation of Oxygenated Compounds and Determination of Emission Ratios

NASA Astrophysics Data System (ADS)

de Gouw, J. A.; Gilman, J. B.; Kim, S.-W.; Alvarez, S. L.; Dusanter, S.; Graus, M.; Griffith, S. M.; Isaacman-VanWertz, G.; Kuster, W. C.; Lefer, B. L.; Lerner, B. M.; McDonald, B. C.; Rappenglück, B.; Roberts, J. M.; Stevens, P. S.; Stutz, J.; Thalman, R.; Veres, P. R.; Volkamer, R.; Warneke, C.; Washenfelder, R. A.; Young, C. J.

2018-02-01

We analyze an expanded data set of oxygenated volatile organic compounds (OVOCs) in air measured by several instruments at a surface site in Pasadena near Los Angeles during the National Oceanic and Atmospheric Administration California Nexus study in 2010. The contributions of emissions, chemical formation, and removal are quantified for each OVOC using CO as a tracer of emissions and the OH exposure of the sampled air masses calculated from hydrocarbon ratios. The method for separating emissions from chemical formation is evaluated using output for Pasadena from the Weather Research and Forecasting-Chemistry model. The model is analyzed by the same method as the measurement data, and the emission ratios versus CO calculated from the model output agree for ketones with the inventory used in the model but overestimate aldehydes by 70%. In contrast with the measurements, nighttime formation of OVOCs is significant in the model and is attributed to overestimated precursor emissions and overestimated rate coefficients for the reactions of the precursors with ozone and NO3. Most measured aldehydes correlated strongly with CO at night, suggesting a contribution from motor vehicle emissions. However, the emission ratios of most aldehydes versus CO are higher than those reported in motor vehicle emissions and the aldehyde sources remain unclear. Formation of several OVOCs is investigated in terms of the removal of specific precursors. Direct emissions of alcohols and aldehydes contribute significantly to OH reactivity throughout the day, and these emissions should be accurately represented in models describing ozone formation.

Grain Refinement of Al-Si-Fe-Cu-Zn-Mn Based Alloy by Al-Ti-B Alloy and Its Effect on Mechanical Properties.

PubMed

Yoo, Hyo-Sang; Kim, Yong-Ho; Jung, Chang-Gi; Lee, Sang-Chan; Lee, Seong-Hee; Son, Hyeon-Taek

2018-03-01

We investigated the effects of Al-5.0wt%Ti-1.0wt%B addition on the microstructure and mechanical properties of the as-extruded Al-0.15wt%Si-0.2wt%Fe-0.3wt%Cu-0.15wt%Zn-0.9wt%Mn based alloys. The Aluminum alloy melt was held at 800 °C and then poured into a mould at 200 °C. Aluminum alloys were hot-extruded into a rod that was 12 mm in thickness with a reduction ratio of 38:1. AlTiB addition to Al-0.15Si-0.2Fe-0.3Cu-0.15Zn-0.9Mn based alloys resulted in the formation of Al3Ti and TiB2 intermetallic compounds and grain refinement. With increasing of addition AlTiB, ultimate tensile strength increased from 93.38 to 99.02 to 100.01 MPa. The tensile strength of the as-extruded alloys was improved due to the formation of intermetallic compounds and grain refinement.

Characterization of Mg/Al butt joints welded by gas tungsten arc filling with Zn–29.5Al–0.5Ti filler metal

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

Liu, Fei; Wang, Hongyang; Liu, Liming, E-mail: liulm@dlut.edu.cn

2014-04-01

The multivariate alloying design of a welding joint is used in the Mg to Al welding process. A Zn–29.5Al–0.5Ti alloy is added as filler metal in gas tungsten arc welding of Mg and Al alloy joint based on the analysis of Al and Mg alloy characteristics. The tensile strength, microstructure, and phase constitution of the weld seam are analyzed. The formation of brittle and hard Mg–Al intermetallic compounds is avoided because of the effects of Zn, Al, and Ti. The average tensile strength of the joint is 148 MPa. Al{sub 3}Ti is first precipitated and functions as the nucleus ofmore » heterogeneous nucleation during solidification. Moreover, the precipitated Al–MgZn{sub 2} hypoeutectic phase exhibited a feather-like structure, which enhances the property of the Mg–Al dissimilar joint. - Highlights: • Mg alloy AZ31B and Al alloy 6061 are butt welded by fusion welding. • The effect of Ti in filler metal is investigated. • The formation of Mg–Al intermetallic compounds is avoided.« less

A Connectionist Model of Stimulus Class Formation with a Yes/No Procedure and Compound Stimuli

ERIC Educational Resources Information Center

Tovar, Angel E.; Chavez, Alvaro Torres

2012-01-01

We analyzed stimulus class formation in a human study and in a connectionist model (CM) with a yes/no procedure, using compound stimuli. In the human study, the participants were six female undergraduate students; the CM was a feed-forward back-propagation network. Two 3-member stimulus classes were trained with a similar procedure in both the…

Ab Initio Studies of Shock-Induced Chemical Reactions of Inter-Metallics

NASA Astrophysics Data System (ADS)

Zaharieva, Roussislava; Hanagud, Sathya

2009-06-01

Shock-induced and shock assisted chemical reactions of intermetallic mixtures are studied by many researchers, using both experimental and theoretical techniques. The theoretical studies are primarily at continuum scales. The model frameworks include mixture theories and meso-scale models of grains of porous mixtures. The reaction models vary from equilibrium thermodynamic model to several non-equilibrium thermodynamic models. The shock-effects are primarily studied using appropriate conservation equations and numerical techniques to integrate the equations. All these models require material constants from experiments and estimates of transition states. Thus, the objective of this paper is to present studies based on ab initio techniques. The ab inito studies, to date, use ab inito molecular dynamics. This paper presents a study that uses shock pressures, and associated temperatures as starting variables. Then intermetallic mixtures are modeled as slabs. The required shock stresses are created by straining the lattice. Then, ab initio binding energy calculations are used to examine the stability of the reactions. Binding energies are obtained for different strain components super imposed on uniform compression and finite temperatures. Then, vibrational frequencies and nudge elastic band techniques are used to study reactivity and transition states. Examples include Ni and Al.

New NbCd2 Phase in Niobium-Cadmium Coating Films

NASA Astrophysics Data System (ADS)

Volodin, V. N.; Tuleushev, Yu. Zh.; Zhakanbaev, E. A.; Tsai, K. V.; Rofman, O. V.

2018-02-01

Solid solutions in the form of alloy coatings have been obtained for the first time in the Cd concentration range of 64.5% using ion-plasma sputtering and the codeposition of Nb and Cd ultrafine particles. This supports thermal fluctuation melting and the coalescence of fine particles. A coating of niobium and cadmium layers less than 2 nm thick at 68 at % Cd results in the formation of a new phase identified as NbCd2. The tetragonal fcc phase with lattice parameters a = 0.84357 nm and c = 0.54514 nm forms directly during film coating. XRD data for the identification of the intermetallic compound have been determined. The thermal stability of the NbCd 2 intermetallic compound is limited by 200°C. The properties of the synthesized NbCd 2 phase are typical of semiconductors.

Hardness and Second Phase Percentage of Ni-Ti-Hf Compounds After Heat Treatment at 700C

NASA Technical Reports Server (NTRS)

Stanford, Malcolm K.

2017-01-01

The Vickers hardness and second phase precipitation of three ternary intermetallic Ni-Ti-Hf compounds containing either 1, 3 or 5 at.% Hf were compared to 60-Nitinol (55 at.% Ni - 45 at.% Ti). Heat treatment either at 700 C or with a subsequent aging step, hardened the 3 and 5 at.% Hf-containing ternaries to approximately 620 HV (56 HRC). Heat treatment increased the hardness of the 1 at.% Hf compound by more than 25 percent. Average hardness of the 3 and 5 at.% Hf ternaries, though higher than that of the binary Ni-Ti or the Ni-Ti-Hf compound containing 1 at.% Hf, appeared to be fairly insensitive to the different heat treatments. There was a drastic reduction of fatigue-enhancing second phase precipitates for the 5 at.% Hf ternaries compared to the other compounds. These results should guide materials selection for development of aerospace componentry.

Self-irradiation damage to the local structure of plutonium and plutonium intermetallics

NASA Astrophysics Data System (ADS)

Booth, C. H.; Jiang, Yu; Medling, S. A.; Wang, D. L.; Costello, A. L.; Schwartz, D. S.; Mitchell, J. N.; Tobash, P. H.; Bauer, E. D.; McCall, S. K.; Wall, M. A.; Allen, P. G.

2013-03-01

The effect of self-irradiation damage on the local structure of δ-Pu, PuAl2, PuGa3, and other Pu intermetallics has been determined for samples stored at room temperature using the extended x-ray absorption fine-structure (EXAFS) technique. These measurements indicate that the intermetallic samples damage at a similar rate as indicated in previous studies of PuCoGa5. In contrast, δ-Pu data indicate a much slower damage accumulation rate. To explore the effect of storage temperature and possible room temperature annealing effects, we also collected EXAFS data on a δ-Pu sample that was held at less than 32 K for a two month period. This sample damaged much more quickly. In addition, the measurable damage was annealed out at above only 135 K. Data from samples of δ-Pu with different Ga concentrations and results on all samples collected from different absorption edges are also reported. These results are discussed in terms of the vibrational properties of the materials and the role of Ga in δ-Pu as a network former.

Undercooling Behavior and Intermetallic Compound Coalescence in Microscale Sn-3.0Ag-0.5Cu Solder Balls and Sn-3.0Ag-0.5Cu/Cu Joints

NASA Astrophysics Data System (ADS)

Zhou, M. B.; Ma, X.; Zhang, X. P.

2012-11-01

The microstructure of microscale solder interconnects and soldering defects have long been known to have a significant influence on the reliability of electronic packaging, and both are directly related to the solidification behavior of the undercooled solder. In this study, the undercooling behavior and solidification microstructural evolution of Sn-3.0Ag-0.5Cu solder balls with different diameters (0.76 mm, 0.50 mm, and 0.30 mm) and the joints formed by soldering these balls on Cu open pads of two diameters (0.48 mm and 0.32 mm) on a printed circuit board (PCB) substrate were characterized by differential scanning calorimetry (DSC) incorporated into the reflow process. Results show that the decrease in diameter of the solder balls leads to an obvious increase in the undercooling of the balls, while the undercooling of the solder joints shows a dependence on both the diameter of the solder balls and the diameter ratio of solder ball to Cu pad (i.e., D s/ D p), and the diameter of the solder balls has a stronger influence on the undercooling of the joints than the dimension of the Cu pad. Coarse primary intermetallic compound (IMC) solidification phases were formed in the smaller solder balls and joints. The bulk Ag3Sn IMC is the primary solidification phase in the as-reflowed solder balls. Due to the interfacial reaction and dissolution of Cu atoms into the solder matrix, the primary Ag3Sn phase can be suppressed and the bulk Cu6Sn5 IMC is the only primary solidification phase in the as-reflowed solder joints.

Gold–promoted structurally ordered intermetallic palladium cobalt nanoparticles for the oxygen reduction reaction

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

Kuttiyiel, Kurian A.; Sasaki, Kotaro; Su, Dong

2014-11-06

Considerable efforts to make palladium and palladium alloys active catalysts and a possible replacement for platinum have had a marginal success. Here, we report on a structurally ordered Au₁₀Pd₄₀Co₅₀ catalyst that exhibits comparable activity to conventional platinum catalysts in both acid and alkaline media. Electron microscopic techniques demonstrate that via addition of gold atoms PdCo nanoparticles undergo at elevated temperatures an atomic structural transition from core-shell to a rare intermetallic ordered structure with twin boundaries forming stable {111}, {110} and {100} facets. The superior stability of this catalyst compared to platinum after 10,000 potential cycles in alkaline media is attributedmore » to the atomic structural order of PdCo nanoparticles along with protective effect of clusters of gold atoms on the surface. This strategy of making ordered palladium intermetallic alloy nanoparticles can be used in diverse heterogeneous catalysis where particle size and structural stability matters.« less

Gold-promoted structurally ordered intermetallic palladium cobalt nanoparticles for the oxygen reduction reaction.

PubMed

Kuttiyiel, Kurian A; Sasaki, Kotaro; Su, Dong; Wu, Lijun; Zhu, Yimei; Adzic, Radoslav R

2014-11-06

Considerable efforts to make palladium and palladium alloys active catalysts and a possible replacement for platinum have had a marginal success. Here we report on a structurally ordered Au10Pd₄₀Co₅₀ catalyst that exhibits comparable activity to conventional platinum catalysts in both acid and alkaline media. Electron microscopic techniques demonstrate that, at elevated temperatures, palladium cobalt nanoparticles undergo an atomic structural transition from core-shell to a rare intermetallic ordered structure with twin boundaries forming stable {111}, {110} and {100} facets via addition of gold atoms. The superior stability of this catalyst compared with platinum after 10,000 potential cycles in alkaline media is attributed to the atomic structural order of PdCo nanoparticles along with protective effect of clusters of gold atoms on the surface. This strategy of making ordered palladium intermetallic alloy nanoparticles can be used in diverse heterogeneous catalysis where particle size and structural stability matter.

Nucleation-controlled microstructures and anomalous eutectic formation in undercooled Co-Sn and Ni-Si eutectic melts

NASA Astrophysics Data System (ADS)

Li, Mingjun; Kuribayashi, Kazuhiko

2003-12-01

Co-20.5 at. pct Sn and Ni-21.4 at. pct Si eutectic alloys have been levitated and undercooled in an electromagnetic levitator (EML) and then solidified spontaneously at different undercoolings. The original surface and cross-sectional morphologies of these solidified samples consist of separate eutectic colonies regardless of melt undercooling, indicating that microstructures in the free solidification of the eutectic systems are nucleation controlled. Regular lamellae always grow from the periphery of an independent anomalous eutectic grain in each eutectic colony. This typical morphology shows that the basic unit should be a single eutectic colony, when discussing the solidification behavior. Special emphasis is focused on the anomalous eutectic formation after a significant difference in linear kinetic coefficients is recognized for terminal eutectic phases, in particular when a eutectic reaction contains a nonfaceted disordered solid solution and a faceted ordered intermetallic compound as the terminal eutectic phases. It is this remarkable difference in the linear kinetic coefficients that leads to a pronounced difference in kinetic undercoolings. The sluggish kinetics in the interface atomic attachment of the intermetallic compound originates the occurrence of the decoupled growth of two eutectic phases. Hence, the current eutectic models are modified to incorporate kinetic undercooling, in order to account for the competitive growth behavior of eutectic phases in a single eutectic colony. The critical condition for generating the decoupled growth of eutectic phases is proposed. Further analysis reveals that a dimensionless critical undercooling may be appropriate to show the tendency for the anomalous eutectic-forming ability when considering the difference in linear kinetic coefficients of terminal eutectic phases. This qualitative criterion, albeit crude with several approximations and assumptions, can elucidate most of the published experimental results

Electride and superconductivity behaviors in Mn5Si3-type intermetallics

NASA Astrophysics Data System (ADS)

Zhang, Yaoqing; Wang, Bosen; Xiao, Zewen; Lu, Yangfan; Kamiya, Toshio; Uwatoko, Yoshiya; Kageyama, Hiroshi; Hosono, Hideo

2017-08-01

Electrides are unique in the sense that they contain localized anionic electrons in the interstitial regions. Yet they exist with a diversity of chemical compositions, especially under extreme conditions, implying generalized underlying principles for their existence. What is rarely observed is the combination of electride state and superconductivity within the same material, but such behavior would open up a new category of superconductors. Here, we report a hexagonal Nb5Ir3 phase of Mn5Si3-type structure that falls into this category and extends the electride concept into intermetallics. The confined electrons in the one-dimensional cavities are reflected by the characteristic channel bands in the electronic structure. Filling these free spaces with foreign oxygen atoms serves to engineer the band topology and increase the superconducting transition temperature to 10.5 K in Nb5Ir3O. Specific heat analysis indicates the appearance of low-lying phonons and two-gap s-wave superconductivity. Strong electron-phonon coupling is revealed to be the pairing glue with an anomalously large ratio between the superconducting gap Δ0 and Tc, 2Δ0/kBTc = 6.12. The general rule governing the formation of electrides concerns the structural stability against the cation filling/extraction in the channel site.

D-Galacturonic acid as a highly reactive compound in nonenzymatic browning. 1. Formation of browning active degradation products.

PubMed

Bornik, Maria-Anna; Kroh, Lothar W

2013-04-10

Thermal treatment of an aqueous solution of D-galacturonic acid at pH 3, 5, and 8 led to rapid browning of the solution and to the formation of carbocyclic compounds such as reductic acid (2,3-dihydroxy-2-cyclopenten-1-one), DHCP (4,5-dihydroxy-2-cyclopenten-1-one), and furan-2-carbaldehyde, as degradation products in weak acidic solution. Studies on their formation revealed 2-ketoglutaraldehyde as their common key intermediate. Norfuraneol (4-hydroxy-5-methyl-3-(2H)-furanone) is a typical alkaline degradation product and formed after isomerization. Further model studies revealed reductic acid as an important and more browning active compound than furan-2-carbaldehyde, which led to a red color of the model solution. This red-brown color is also characteristic of thermally treated uronic acid solutions.

Structural, Electronic and Elastic Properties of Heavy Fermion YbTM2 (TM= Ir and Pt) Laves Phase Compounds

NASA Astrophysics Data System (ADS)

Pawar, H.; Shugani, M.; Aynyas, M.; Sanyal, S. P.

2018-02-01

The structural, electronic and elastic properties of YbTM2 (TM = Ir and Pt) Laves phase intermetallic compounds which crystallize in cubic (MgCu2-type) structure, have been investigated using ab-initio full potential linearized augmented plane wave (FP-LAPW) method with LDA and LDA+U approximation. The calculated ground state properties such as lattice parameter (a0), bulk modulus (B) and its pressure derivative (B‧) are in good agreement with available experimental and theoretical data. The electronic properties are analyzed from band structures and density of states. Elastic constants are predicted first time for these compounds which obey the stability criteria for cubic system.

Influence of severe plastic deformation on intermetallic particles in Mg-12 wt.%Zn alloy investigated using transmission electron microscopy

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

Němec, M., E-mail: nemecm@fzu.cz

exhibited a distinct behavior within the single-crystalline or nano-crystalline form of the parent Mg{sub 21}Zn{sub 25} microparticles. The Mg{sub 21}Zn{sub 25} + Mg{sub 51}Zn{sub 20} eutectic compound was confirmed for both forms of the parent Mg{sub 21}Zn{sub 25} microparticles, and the growth of Mg{sub 51}Zn{sub 20} nanoparticles is discussed. - Highlights: •Comprehensive microstructure characterization of Mg-12 wt.%Zn alloy after ECAP-BP •TEM analysis of changes of intermetallic phases caused by SPD •Mg{sub 21}Zn{sub 25} particles exhibit nano-crystalline regions with grain size below 100 nm. •MgZn{sub 2} preserved its orientation relationship toward highly deformed α-Mg after SPD. •Existence of Mg{sub 21}Zn{sub 25} + Mg{sub 51}Zn{sub 20} eutectic remained for each Mg{sub 21}Zn{sub 25} particle form.« less

Identification of Disubstituted Sulfonamide Compounds as Specific Inhibitors of Hepatitis B Virus Covalently Closed Circular DNA Formation

PubMed Central

Cai, Dawei; Mills, Courtney; Yu, Wenquan; Yan, Ran; Aldrich, Carol E.; Saputelli, Jeffry R.; Mason, William S.; Xu, Xiaodong; Guo, Ju-Tao; Block, Timothy M.

2012-01-01

Hepatitis B virus (HBV) covalently closed circular DNA (cccDNA) plays a central role in viral infection and persistence and is the basis for viral rebound after the cessation of therapy, as well as the elusiveness of a cure even after extended treatment. Therefore, there is an urgent need for the development of novel therapeutic agents that directly target cccDNA formation and maintenance. By employing an innovative cell-based cccDNA assay in which secreted HBV e antigen is a cccDNA-dependent surrogate, we screened an in-house small-molecule library consisting of 85,000 drug-like compounds. Two structurally related disubstituted sulfonamides (DSS), termed CCC-0975 and CCC-0346, emerged and were confirmed as inhibitors of cccDNA production, with low micromolar 50% effective concentrations (EC50s) in cell culture. Further mechanistic studies demonstrated that DSS compound treatment neither directly inhibited HBV DNA replication in cell culture nor reduced viral polymerase activity in the in vitro endogenous polymerase assay but synchronously reduced the levels of HBV cccDNA and its putative precursor, deproteinized relaxed circular DNA (DP-rcDNA). However, DSS compounds did not promote the intracellular decay of HBV DP-rcDNA and cccDNA, suggesting that the compounds interfere primarily with rcDNA conversion into cccDNA. In addition, we demonstrated that CCC-0975 was able to reduce cccDNA biosynthesis in duck HBV-infected primary duck hepatocytes. This is the first attempt, to our knowledge, to identify small molecules that target cccDNA formation, and DSS compounds thus potentially serve as proof-of-concept drug candidates for development into therapeutics to eliminate cccDNA from chronic HBV infection. PMID:22644022

Investigation of Laser Generation and Detection of Ultrasound in Ceramic Matrix Composites and Intermetallics

NASA Technical Reports Server (NTRS)

Ehrlich, Michael J.

1998-01-01

The goal of this program is to assess the feasibility of using laser based ultrasonic techniques for inspecting and characterizing materials of interest to NASA, specifically those used in propulsion and turbomachinery applications, such as ceramic composites, metal matrix composites, and intermetallics.

Stereoselective Synthesis of Tetrahydroindolizines through the Catalytic Formation of Pyridinium Ylides from Diazo Compounds.

PubMed

Day, Jonathan; McKeever-Abbas, Ben; Dowden, James

2016-05-04

Commercially available iron(III) and copper(I) complexes catalyzed multicomponent cycloaddition reactions between diazo compounds, pyridines, and electrophilic alkenes to give alkaloid-inspired tetrahydroindolizidines in high yield with high diastereoselectivity. Hitherto, the catalytic formation of versatile pyridinium ylides from metal carbenes has been poorly developed; the broad utility demonstrated herein sets the stage for the invention of further multicomponent reactions in future. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of Sodium Chloride on α-Dicarbonyl Compound and 5-Hydroxymethyl-2-furfural Formations from Glucose under Caramelization Conditions: A Multiresponse Kinetic Modeling Approach.

PubMed

Kocadağlı, Tolgahan; Gökmen, Vural

2016-08-17

This study aimed to investigate the kinetics of α-dicarbonyl compound formation in glucose and glucose-sodium chloride mixture during heating under caramelization conditions. Changes in the concentrations of glucose, fructose, glucosone, 1-deoxyglucosone, 3-deoxyglucosone, 3,4-dideoxyglucosone, 5-hydroxymethyl-2-furfural (HMF), glyoxal, methylglyoxal, and diacetyl were determined. A comprehensive reaction network was built, and the multiresponse model was compared to the experimentally observed data. Interconversion between glucose and fructose became 2.5 times faster in the presence of NaCl at 180 and 200 °C. The effect of NaCl on the rate constants of α-dicarbonyl compound formation varied across the precursor and the compound itself and temperature. A decrease in rate constants of 3-deoxyglucosone and 1-deoxyglucosone formations by the presence of NaCl was observed. HMF formation was revealed to be mainly via isomerization to fructose and dehydration over cyclic intermediates, and the rate constants increase 4-fold in the presence of NaCl.

Formation of a compound flux rope by the merging of two filament channels, the associated dynamics, and its stability

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

Joshi, Navin Chandra; Inoue, Satoshi; Magara, Tetsuya, E-mail: navin@khu.ac.kr, E-mail: njoshi98@gmail.com

2014-11-01

We present observations of compound flux rope formation, which occurred on 2014 January 1, via merging of two nearby filament channels, the associated dynamics, and its stability using multiwavelength data. We also discuss the dynamics of cool and hot plasma moving along the newly formed compound flux rope. The merging started after the interaction between the southern leg of the northward filament and the northern leg of the southward filament at ≈01:21 UT and continued until a compound flux rope formed at ≈01:33 UT. During the merging, the cool filament plasma heated up and started to move along both sidesmore » of the compound flux rope, i.e., toward the north (≈265 km s{sup –1}) and south (≈118 km s{sup –1}) from the point of merging. After traveling a distance of ≈150 Mm toward the north, the plasma cooled down and started to return back to the south (≈14 km s{sup –1}) after ≈02:00 UT. The observations provide a clear example of compound flux rope formation via merging of two different flux ropes and the occurrence of a flare through tether cutting reconnection. However, the compound flux rope remained stable in the corona and had a confined eruption. The coronal magnetic field decay index measurements revealed that both the filaments and the compound flux rope axis lie within the stability domain (decay index <1.5), which may be the possible cause for their stability. The present study also deals with the relationship between the filament's chirality (sinistral) and the helicity (positive) of the surrounding flux rope.« less

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

First-principles investigation of thermodynamic, elastic and electronic properties of Al{sub 3}V and Al{sub 3}Nb intermetallics under pressures

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

Chen, Zhe; Zhang, Peng; Chen, Dong

2015-02-28

The thermodynamic, elastic, and electronic properties of D0{sub 22}-type Al{sub 3}V and Al{sub 3}Nb intermetallics were studied using the first-principle method. The results showed the pressure has profound effects on the structural, mechanical and electronic properties in both Al{sub 3}V and Al{sub 3}Nb. Thermodynamically, the formation enthalpies for Al{sub 3}V and Al{sub 3}Nb were derived, which agreed well with available experimental and theoretical values. Comparably, Al{sub 3}Nb was a more stable phase with the more negative H{sub f} than Al{sub 3}V. Mechanically, the calculated elastic constants showed linearly increasing tendencies, and satisfied the Born's criteria from 0–20 GPa, indicating the mechanicallymore » stability of Al{sub 3}V and Al{sub 3}Nb under this pressure range. Further, the mechanical parameters (i.e., bulk modulus (B), shear modulus (G), and Young's modulus (E)) were derived using the Voigt-Reuss-Hill (VRH) method, and in good agreement with available experimental results at the ground state. All these parameters presented the linearly increasing dependences on the external pressure. The B/G ratios and Poisson's ratio indicated that the Al{sub 3}V and Al{sub 3}Nb crystals should exhibit brittle behavior at 0–20 GPa. Additionally, the bulk modulus can be obtained through fitting the Birch-Murnaghan equation (B{sub 0}), computing by VRH method (B{sub H}), and deriving from the elastic theory (B{sub relax}) in both intermetallics. The uniformity of these calculated bulk moduli in each compound exhibited the excellent reliability and self-consistency. In addition, Debye temperature was estimated from the average sound velocity. The Debye temperature showed an increasing dependence on the pressures. Finally, through density of states analysis, Al{sub 3}V and Al{sub 3}Nb were suggested to possess naturally metallic behavior. Under pressures, it was noted that the shapes of peaks and pseudogaps exhibited relative few changes

The formation of light absorbing insoluble organic compounds from the reaction of biomass burning precursors and Fe(III)

NASA Astrophysics Data System (ADS)

Lavi, Avi; Lin, Peng; Bhaduri, Bhaskar; Laskin, Alexander; Rudich, Yinon

2017-04-01

Dust particles and volatile organic compounds from fuel or biomass burning are two major components that affect air quality in urban polluted areas. We characterized the products from the reaction of soluble Fe(III), a reactive transition metal originating from dust particles dissolution processes, with phenolic compounds , namely, guaiacol, syringol, catechol, o- and p- cresol that are known products of incomplete fuel and biomass combustion but also from other natural sources such as humic compounds degradation. We found that under acidic conditions comparable to those expected on a dust particle surface, phenolic compounds readily react with dissolved Fe(III), leading to the formation of insoluble polymeric compounds. We characterized the insoluble products by x-ray photoelectron microscopy, UV-Vis spectroscopy, mass spectrometry, elemental analysis and thermo-gravimetric analysis. We found that the major chromophores formed are oligomers (from dimers to pentamers) of the reaction precursors that efficiently absorb light between 300nm and 500nm. High variability of the mass absorption coefficient of the reaction products was observed with catechol and guaiacol showing high absorption at the 300-500nm range that is comparable to that of brown carbon (BrC) from biomass burning studies. The studied reaction is a potential source for the in-situ production of secondary BrC material under dark conditions. Our results suggest a reaction path for the formation of bio-available iron in coastal polluted areas where dust particles mix with biomass burning pollution plumes. Such mixing can occur, for instance in the coast of West Africa or North Africa during dust and biomass burning seasons

Dendritic azo compounds as a new type amorphous molecular material with quick photoinduced surface-relief-grating formation ability

NASA Astrophysics Data System (ADS)

He, Yaning; Gu, Xinyu; Guo, Miaocai; Wang, Xiaogong

2008-09-01

A series of dendritic azobenzene-containing compounds have been synthesized as a new type amorphous molecular material, which can show quick surface-relief-grating (SRG) formation ability upon light irradiation. For the synthesis, the dendritic precursor tris(2-(ethyl(phenyl)amino)ethyl)benzene-1,3,5-tricarboxylate and tris(3,5-bis(2-(ethyl(phenyl)amino)ethoxy)benzyl)benzene-1,3,5-tricarboxylate were prepared by esterification reactions between 1,3,5-benzenetricarbonyl chloride and N-ethyl- N-hydroxyethyl-aniline and 3,5-bis[2-( N-ethylanilino)ethoxy] benzylalcohol. The precursors were, respectively reacted with the diazonium salts of 4-nitroaniline, 4-aminobenzoic acid, and 4-aminobenzonitrile to introduce different types of donor-acceptor azo chromophores at the peripheral positions. The structure and properties of the dendritic azo compounds were characterized by the spectroscopic methods and thermal analysis. The surface-relief-grating (SRG) formation behavior of the dendritic azo compounds was studied by exposing the spin-coated thin films to an interference pattern of laser beams (532 nm) at modest intensity (100 mW/cm 2). The results show that the azo compounds can form stable amorphous glasses in a broad temperature range. The glass transition temperatures ( Tgs) depend on the backbone structures and the type of the peripheral azo chromophors. The type of the electron withdrawing groups in the p-positions of the terminal azobenzene units shows a significant influence on the SRG inscription rate. For the compounds containing the same type azo chromophores, the SRG inscription rate is also affected by the backbone structure.

Formation of N-nitrosodimethylamine (NDMA) by ozonation of dyes and related compounds.

PubMed

Oya, Masami; Kosaka, Koji; Asami, Mari; Kunikane, Shoichi

2008-12-01

Formation of N-nitrosodimethylamine (NDMA) by ozonation of commercially available dyes and related compounds was investigated. Ozonation was conducted using a semi-batch type reactor, and ozone concentration in gas phase and the ozone gas flow were 10 mg L(-1) and 1.0 L min(-1), respectively. NDMA was formed by 15 min of ozonation of seven out of eight selected target compounds (0.05 mM) at pH 7. All the target compounds with N,N-dimethylamino functions were NDMA precursors in ozonation. The lowest and highest NDMA concentrations after ozonation of the target compounds were 13 ng L(-1) for N,N-dimethylformamide (DMF) and 1600 ng L(-1) for N,N-dimethyl-p-phenylenediamine (DMPD), respectively. NDMA concentrations after 15 min of ozonation of 0.05 mM methylene blue (MB) and DMPD increased with an increase in pH in its range of 6-8. The effects of coexisting compounds on NDMA concentrations after 15 min of ozonation of 0.05 mM MB and DMPD were examined at pH 7. NDMA concentrations after ozonation of MB and DMPD increased by the presence of 0.05 mM (0.7 mg L(-1) as N) nitrite (NO(2)(-)); 5000 ng L(-1) for MB and 4000 ng L(-1) for DMPD. NDMA concentration after MB ozonation decreased by the presence of 5mM tertiary butyl alcohol (TBA), a hydroxyl radical (HO.) scavenger, but that after DMPD ozonation was increased by the presence of TBA. NDMA concentrations after ozonation of MB and DMPD were not affected by the presence of 0.16 mM (5.3 mg L(-1)) hydrogen peroxide (H(2)O(2)). When 0.05 mM MB and DMPD were added to the Yodo and Tone river water samples, NDMA concentrations after 15 min of their ozonation at pH 7 increased compared with those in the case of addition to ultrapure water samples.

Experimental and theoretical investigations of the polar intermetallics SrPt{sub 3}Al{sub 2} and Sr{sub 2}Pd{sub 2}Al

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

Stegemann, Frank; Benndorf, Christopher; Touzani, Rachid St.

SrPt{sub 3}Al{sub 2}, a CaCu{sub 5} relative (P6/mmm; a = 566.29(3), c = 389.39(3) pm; wR{sub 2} = 0.0202, 121 F{sup 2} values, 9 parameters), and Sr{sub 2}Pd{sub 2}Al, isostructural to Ca{sub 2}Pt{sub 2}Ge (Fdd2; a = 1041.45(5), b = 1558.24(7), c = 604.37(3) pm; wR{sub 2} = 0.0291, 844 F{sup 2} values, 25 parameters) have been prepared from the elements. The crystal structures have been investigated by single crystal X-ray diffraction. Structural relaxation confirmed the electronic stability of SrPt{sub 3}Al{sub 2}, while orthorhombic Sr{sub 2}Pd{sub 2}Al might be a metastable polymorph as it is energetically competitive to its monoclinicmore » variant. Both compounds are predicted to be metallic conductors as their density-of-states (DOS) are non-zero at the Fermi level. COHP bonding analysis coupled with Bader effective charge analysis suggest that the title compounds are polar intermetallic phases in which strong Pt–Al and Pd–Al covalent bonds are present, while a significant electron transfer from Sr atoms to the [Pt{sub 3}Al{sub 2}]{sup δ–} or [Pd{sub 2}Al]{sup δ–} network is found. - Graphical abstract: Chains of Pd atoms in the crystal structure of Sr{sub 2}Pd{sub 2}Al get connected by Al atoms in the shape of a distorted tetrahedra. The band structure calculations confirm weak Pd–Pd interactions. - Highlights: • SrPt{sub 3}Al{sub 2} and Sr{sub 2}Pd{sub 2}Al discovered and crystallographically investigated. • DFT predicts the here reported orthorhombic Sr{sub 2}Pd{sub 2}Al to be competitive in energy to the presently unknown monoclinic Sr{sub 2}Pd{sub 2}Al. • Bader charge analysis indicates SrPt{sub 3}Al{sub 2} and Sr{sub 2}Pd{sub 2}Al are polar intermetallics.« less

Study of morphology and magnetic properties of the HoNi{sub 3} crystalline and ball-milled compound

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

Bajorek, Anna, E-mail: anna.bajorek@us.edu.pl; Silesian Center for Education and Interdisciplinary Research, University of Silesia, 75 Pułku Piechoty 1A, 41-500 Chorzów; Skornia, Paweł

2015-03-15

The morphology and magnetic properties of the HoNi{sub 3} crystalline and ball-milled intermetallic compounds are presented. The polycrystalline HoNi{sub 3} bulk compound crystallizes in the rhombohedral PuNi{sub 3} — type of crystal structure and indicates ferrimagnetic arrangement with the Curie temperature of T{sub C} = 57 ± 2 K, the helimagnetic temperature T{sub h} = 23 ± 2 K with the total saturation magnetic moment of 6.84 μ{sub B}/f.u. at 2 K. The use of the ball-milling method leads to the formation of HoNi{sub 3} nanoflakes with typical thickness of less than 100 nm prone to agglomeration upon milling. Themore » increase of grinding duration leads to the reduction in crystallite size, which was confirmed by various complementary microscopical and diffraction studies. Moreover, the increase in milling duration results in the emergence of the relatively small coercivity (H{sub C}), remanence (M{sub r}) and a variation of the saturation magnetization (M{sub S}). - Graphical abstract: Display Omitted - Highlights: • The ball-milling method exhibits significant potential for producing RT{sub 3} nanopowders. • The AFM method was used for the first time in analysis of R–T nanoflakes morphology. • HoNi{sub 3} compound forms polycrystalline and textured nanoflakes evolving upon milling. • The decrease in crystallite size via grinding is confirmed by XRD, TEM and AFM. • The magnetic parameters were sensitive to the extension of pulverization b.« less

Determination of volatile organic compound emissions and ozone formation from spraying solvent-based pesticides.

PubMed

Kumar, Anuj; Howard, Cody J; Derrick, Doniche; Malkina, Irina L; Mitloehner, Frank M; Kleeman, Michael J; Alaimo, Christopher P; Flocchini, Robert G; Green, Peter G

2011-01-01

Large-scale agricultural activities have come under scrutiny for possible contributions to the emission of ozone precursors. The San Joaquin Valley (SJV) of California is an area with intense agricultural activity that exceeds the federal ozone standards for more than 30 to 40 d yr(-1) and the more stringent state standards for more than 100 d yr(-1). Pesticides are used widely in both agricultural and residential subregions of the SJV, but the largest use, by weight of "active ingredient," is in agriculture. The objective of the study was to determine the role of pesticide application on airborne volatile organic compounds (VOC) concentrations and ozone formation in the SJV. The ozone formation from the pesticide formulation sprayed on commercial orchards was studied using two transportable smog chambers at four application sites during the summers of 2007 and 2008. In addition to the direct measurements of ozone formation, airborne VOC concentrations were measured before and after pesticide spraying using canister and sorbent tube sampling techniques. Soil VOC concentrations were also measured to understand the distribution of VOCs between different environmental compartments. Numerous VOCs were detected in the air and soil samples throughout the experiment but higher molecular weight aromatic hydrocarbons were the primary compounds observed in elevated concentrations immediately after pesticide spraying. Measurements indicate that the ozone concentration formed by VOC downwind of the orchard may increase up to 15 ppb after pesticide application, with a return back to prespray levels after 1 to 2 d. by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

Kinetically Controlled Formation and Decomposition of Metastable [(BiSe) 1+δ] m[TiSe 2] m Compounds

DOE PAGES

Lygo, Alexander C.; Hamann, Danielle M.; Moore, Daniel B.; ...

2018-02-12

We report that preparing homologous series of compounds allows chemists to rapidly discover new compounds with predictable structure and properties. Synthesizing compounds within such a series involves navigating a free energy landscape defined by the interactions within and between constituent atoms. Historically, synthesis approaches are typically limited to forming only the most thermodynamically stable compound under the reaction conditions. Presented here is the synthesis, via self-assembly of designed precursors, of isocompositional incommensurate layered compounds [(BiSe) 1+δ] m[TiSe 2] m with m = 1, 2, and 3. The structure of the BiSe bilayer in the m = 1 compound is notmore » that of the binary compound, and this is the first example of compounds where a BiSe layer thicker than a bilayer in heterostructures has been prepared. Specular and in-plane X-ray diffraction combined with high-resolution electron microscopy data was used to follow the formation of the compounds during low-temperature annealing and the subsequent decomposition of the m = 2 and 3 compounds into [(BiSe) 1+δ]1[TiSe 2] 1 at elevated temperatures. These results show that the structure of the precursor can be used to control reaction kinetics, enabling the synthesis of kinetically stable compounds that are not accessible via traditional techniques. Lastly, the data collected as a function of temperature and time enabled us to schematically construct the topology of the free energy landscape about the local free energy minima for each of the products.« less

Kinetically Controlled Formation and Decomposition of Metastable [(BiSe) 1+δ] m[TiSe 2] m Compounds

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

Lygo, Alexander C.; Hamann, Danielle M.; Moore, Daniel B.

We report that preparing homologous series of compounds allows chemists to rapidly discover new compounds with predictable structure and properties. Synthesizing compounds within such a series involves navigating a free energy landscape defined by the interactions within and between constituent atoms. Historically, synthesis approaches are typically limited to forming only the most thermodynamically stable compound under the reaction conditions. Presented here is the synthesis, via self-assembly of designed precursors, of isocompositional incommensurate layered compounds [(BiSe) 1+δ] m[TiSe 2] m with m = 1, 2, and 3. The structure of the BiSe bilayer in the m = 1 compound is notmore » that of the binary compound, and this is the first example of compounds where a BiSe layer thicker than a bilayer in heterostructures has been prepared. Specular and in-plane X-ray diffraction combined with high-resolution electron microscopy data was used to follow the formation of the compounds during low-temperature annealing and the subsequent decomposition of the m = 2 and 3 compounds into [(BiSe) 1+δ]1[TiSe 2] 1 at elevated temperatures. These results show that the structure of the precursor can be used to control reaction kinetics, enabling the synthesis of kinetically stable compounds that are not accessible via traditional techniques. Lastly, the data collected as a function of temperature and time enabled us to schematically construct the topology of the free energy landscape about the local free energy minima for each of the products.« less

Ultrafast and Highly Reversible Sodium Storage in Zinc-Antimony Intermetallic Nanomaterials

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

Nie, Anmin; Gan, Li-yong; Cheng, Yingchun

2015-12-17

The progress on sodium-ion battery technology faces many grand challenges, one of which is the considerably lower rate of sodium insertion/deinsertion in electrode materials due to the larger size of sodium (Na) ions and complicated redox reactions compared to the lithium-ion systems. Here, it is demonstrated that sodium ions can be reversibly stored in Zn-Sb intermetallic nanowires at speeds that can exceed 295 nm s -1. Remarkably, these values are one to three orders of magnitude higher than the sodiation rate of other nanowires electrochemically tested with in situ transmission electron micro­scopy. It is found that the nanowires display aboutmore » 161% volume expansion after the first sodiation and then cycle with an 83% reversible volume expansion. Despite their massive expansion, the nanowires can be cycled without any cracking or facture during the ultrafast sodiation/desodiation process. Additionally, most of the phases involved in the sodiation/desodiation process possess high electrical conductivity. More specifically, the NaZnSb exhibits a layered structure, which provides channels for fast Na + diffusion. This observation indicates that Zn-Sb intermetallic nanomaterials offer great promise as high rate and good cycling stability anodic materials for the next generation of sodium-ion batteries.« less

Formation process and mechanism of iron-nitride compounds on Si(1 1 1)-7 × 7-CH3OH surface

NASA Astrophysics Data System (ADS)

Li, Wenxin; Ding, Wanyu; Ju, Dongying; Tanaka, Ken-ichi; Komori, Fumio

2018-07-01

Fe atoms were deposited on Si(1 1 1)-7 × 7 restructured surface, which had been covered by CH3OH molecules. A newly formed surface is stabilized by a quasi-potential made by breaking, and adsorbed atoms or molecules can be stabilized by forming "quasi-compounds". Then, aim to greatly enhance the magnetic properties of the memory units, nitriding experiments were implemented on the existing Fe compounds. With the in-situ observation of STM, a series of Fe3N structures make up the newly emerged iron-nitride compounds, showing good linear characteristics. By adjusting the concentration, this study further explored its formation process and compounds models.

Dissimilar Joining of Stainless Steel and 5083 Aluminum Alloy Sheets by Gas Tungsten Arc Welding-Brazing Process

NASA Astrophysics Data System (ADS)

Cheepu, Muralimohan; Srinivas, B.; Abhishek, Nalluri; Ramachandraiah, T.; Karna, Sivaji; Venkateswarlu, D.; Alapati, Suresh; Che, Woo Seong

2018-03-01

The dissimilar joining using gas tungsten arc welding - brazing of 304 stainless steel to 5083 Al alloy had been conducted with the addition of Al-Cu eutectic filler metal. The interface microstructure formation between filler metal and substrates, and spreading of the filler metal were studied. The interface microstructure between filler metal and aluminum alloy characterized that the formation of pores and elongated grains with the initiation of micro cracks. The spreading of the liquid braze filler on stainless steel side packed the edges and appeared as convex shape, whereas a concave shape has been formed on aluminum side. The major compounds formed at the fusion zone interface were determined by using X-ray diffraction techniques and energy-dispersive X-ray spectroscopy analysis. The micro hardness at the weld interfaces found to be higher than the substrates owing to the presence of Fe2Al5 and CuAl2 intermetallic compounds. The maximum tensile strength of the weld joints was about 95 MPa, and the tensile fracture occurred at heat affected zone on weak material of the aluminum side and/or at stainless steel/weld seam interface along intermetallic layer. The interface formation and its effect on mechanical properties of the welds during gas tungsten arc welding-brazing has been discussed.

Atomistic observation and simulation analysis of spatio-temporal fluctuations during radiation-induced amorphization.

PubMed

Watanabe, Seiichi; Hoshino, Misaki; Koike, Takuto; Suda, Takanori; Ohnuki, Soumei; Takahashi, Heishichirou; Lam, Nighi Q

2003-01-01

We performed a dynamical-atomistic study of radiation-induced amorphization in the NiTi intermetallic compound using in situ high-resolution high-voltage electron microscopy and molecular dynamics simulations in connection with image simulation. Spatio-temporal fluctuations as non-equilibrium fluctuations in an energy-dissipative system, due to transient atom-cluster formation during amorphization, were revealed by the present spatial autocorrelation analysis.

Reactions of SIV species with organic compounds: formation mechanisms of organo-sulfur derivatives in atmospheric aerosols

NASA Astrophysics Data System (ADS)

Passananti, Monica; Shang, Jing; Dupart, Yoan; Perrier, Sébastien; George, Christian

2015-04-01

Secondary organic aerosol (SOA) have an important impact on climate, air quality and human health. However the chemical reactions involved in their formation and growth are not fully understood or well-constrained in climate models. It is well known that inorganic sulfur (mainly in oxidation states (+IV) and (+VI)) plays a key role in aerosol formation, for instance sulfuric acid is known to be a good nucleating gas. In addition, acid-catalyzed heterogeneous reactions of organic compounds has shown to produce new particles, with a clear enhancement in the presence of ozone (Iinuma 2013). Organosulfates have been detected in tropospheric particles and aqueous phases, which suggests they are products of secondary organic aerosol formation process (Tolocka 2012). Originally, the production of organosulfates was explained by the esterification reaction of alcohols, but this reaction in atmosphere is kinetically negligible. Other formation pathways have been suggested such as hydrolysis of peroxides and reaction of organic matter with sulfite and sulfate radical anions (SO3-, SO4-) (Nozière 2010), but it remains unclear if these can completely explain atmospheric organo-sulfur aerosol loading. To better understand the formation of organo-sulfur compounds, we started to investigate the reactivity of SIV species (SO2 and SO32-) with respect to specific functional groups (organic acids and double bonds) on atmospherically relevant carboxylic acids and alkenes. The experiments were carried out in the homogeneous aqueous phase and at the solid-gas interface. A custom built coated-wall flow tube reactor was developed to control relativity humidity, SO2 concentration, temperature and gas flow rate. Homogeneous and heterogeneous reaction kinetics were measured and resulting products were identified using liquid chromatography coupled with an orbitrap mass spectrometer (LC-HR-MS). The experiments were performed with and without the presence of ozone in order to evaluate any

Key volatile compounds in red koji-shochu, a Monascus-fermented product, and their formation steps during fermentation.

PubMed

Rahayu, Yen Yen Sally; Yoshizaki, Yumiko; Yamaguchi, Keiko; Okutsu, Kayu; Futagami, Taiki; Tamaki, Hisanori; Sameshima, Yoshihiro; Takamine, Kazunori

2017-06-01

Red koji, which refers the solid culture grown koji mold on the steamed rice, is one of the ingredients of Asian fermented foods including the Japanese spirit shochu. This study was aimed at elucidating the characteristic flavor and key volatile compounds of red koji-shochu as well as the mechanism of their formation. Sensory evaluation showed that red koji-shochu has the distinctive flavors cheese, sour, milky, and oily. Fifteen key volatile compounds of red koji-shochu were identified by gas chromatography-mass spectrometry and high-performance liquid chromatography, and by comparison between red koji-shochu and white koji-shochu, as another typical shochu. The mash analysis revealed that ketone compounds and short-chain acids derive from red koji. Furthermore, although other key compounds were produced by yeast, it is highly likely that their concentrations were affected directly or indirectly by the high activities of protease and lipase in red koji. Copyright © 2016 Elsevier Ltd. All rights reserved.

Synthesis of Xenon and Iron-Nickel Intermetallic Compounds at Earth's Core Thermodynamic Conditions

NASA Astrophysics Data System (ADS)

Stavrou, Elissaios; Yao, Yansun; Goncharov, Alexander F.; Lobanov, Sergey S.; Zaug, Joseph M.; Liu, Hanyu; Greenberg, Eran; Prakapenka, Vitali B.

2018-03-01

Using in situ synchrotron x-ray diffraction and Raman spectroscopy in concert with first principles calculations we demonstrate the synthesis of stable Xe (Fe ,Fe /Ni )3 and XeNi3 compounds at thermodynamic conditions representative of Earth's core. Surprisingly, in the case of both the Xe-Fe and Xe-Ni systems Fe and Ni become highly electronegative and can act as oxidants. The results indicate the changing chemical properties of elements under extreme conditions by documenting that electropositive at ambient pressure elements could gain electrons and form anions.

Derivation of mechanical characteristics for Ni/Au intermetallic surface with SAC305 solder

NASA Astrophysics Data System (ADS)

Kim, Jong-Min; Lee, Hyun-Boo; Chang, Yoon-Suk; Choi, Jae-Boong

2013-03-01

Many surface finish methods are used to connect a substrate with the electric components of IT products in the micro-packaging process, and various types of lead-free solder have been developed as alternative materials to lead-based solder to reduce environmental contamination. However, there has been little research on the mechanical properties of the inter-metallic surface which is generated in the bumping process between the lead-free solder and surface films such as Ni/Au. The present work is to derive the material properties of a Ni/Au inter-metallic surface with SAC305 solder. A series of indentation tests were carried out by changing four nano-scale indentation depths and two strain rates. Also, a reverse algorithm method was adopted to determine the elastic-plastic stress-strain curve based on the load-displacement curve from the indentation test data. As a result of the material characterization effort, the mean elastic modulus, yield strength and strain hardening exponent of IMC with Ni/Au finish were determined.

Energy gap formation mechanism through the interference phenomena of electrons in face-centered cubic elements and compounds with the emphasis on half-Heusler and Heusler compounds

NASA Astrophysics Data System (ADS)

Mizutani, U.; Sato, H.

2018-05-01

Many face-centred cubic elements and compounds with the number of atoms per unit cell N equal to 8, 12 and 16 are known to be stabilised by forming either a band gap or a pseudogap at the Fermi level. They are conveniently expressed as cF8, cF12 and cF16, respectively, in the Pearson symbol. From the cF8 family, we worked on three tetravalent elements C (diamond), Si and Ge, SZn-type AsGa compound and NaCl-type compounds like BiLu, AsSc, etc. From the cF12 family, more than 80 compounds were selected, with a particular emphasis on ABC- and half-Heusler-type ternary equiatomic compounds. Among cF16 compounds, both the Heusler compounds ABC2 and Zintl compounds were studied. We revealed that, regardless of whether or not the transition metal (TM) and/or rare-earth (RE) elements are involved as constituent elements, the energy gap formation mechanism for cF8, cF12 and cF16 compounds can be universally discussed in terms of interference phenomenon of itinerant electrons with set of reciprocal lattice planes with ? = 8, 11 and 12, where ? refers to square of the critical reciprocal of lattice vector of an fcc lattice. The number of itinerant electrons per unit cell, e/uc, for all these band gap/pseudogap-bearing compounds is found to fall on a universal line called "3/2-power law" when plotted against ? on a logarithmic scale. This proves the validity of the fulfilment of the interference condition ? in conformity with other pseudogap compounds with different crystal symmetries and different sizes of the unit cell reported in literature.

Sub-4 nm PtZn Intermetallic Nanoparticles for Enhanced Mass and Specific Activities in Catalytic Electrooxidation Reaction

DOE PAGES

Qi, Zhiyuan; Xiao, Chaoxian; Liu, Cong; ...

2017-03-08

Atomically ordered intermetallic nanoparticles (iNPs) have sparked considerable interest in fuel cell applications by virtue of their exceptional electronic and structural properties. However, the synthesis of small iNPs in a controllable manner remains a formidable challenge because of the high temperature generally required in the formation of intermetallic phases. Here in this paper we report a general method for the synthesis of PtZn iNPs (3.2 ± 0.4 nm) on multiwalled carbon nanotubes (MWNT) via a facile and capping agent free strategy using a sacrificial mesoporous silica (mSiO 2) shell. The as-prepared PtZn iNPs exhibited ca. 10 times higher mass activitymore » in both acidic and basic solution toward the methanol oxidation reaction (MOR) compared to larger PtZn iNPs synthesized on MWNT without the mSiO 2 shell. Density functional theory (DFT) calculations predict that PtZn systems go through a “non-CO” pathway for MOR because of the stabilization of the OH* intermediate by Zn atoms, while a pure Pt system forms highly stable COH* and CO* intermediates, leading to catalyst deactivation. Experimental studies on the origin of the backward oxidation peak of MOR coincide well with DFT predictions. Moreover, the calculations demonstrate that MOR on smaller PtZn iNPs is energetically more favorable than larger iNPs, due to their high density of corner sites and lower-lying energetic pathway. Therefore, smaller PtZn iNPs not only increase the number but also enhance the activity of the active sites in MOR compared with larger ones. This work opens a new avenue for the synthesis of small iNPs with more undercoordinated and enhanced active sites for fuel cell applications.« less

Sub-4 nm PtZn Intermetallic Nanoparticles for Enhanced Mass and Specific Activities in Catalytic Electrooxidation Reaction

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

Qi, Zhiyuan; Xiao, Chaoxian; Liu, Cong

2017-03-22

Atomically ordered intermetallic nanoparticles (iNPs) have sparked considerable interest in fuel cell applications by virtue of their exceptional electronic and structural properties. However, the synthesis of small iNPs in a controllable manner remains a formidable challenge because of the high temperature generally required in the formation of intermetallic phases. Here we report a general method for the synthesis of PtZn. iNPs (3.2 +/- 0.4 nm) on multiwalled carbon nanotubes (MWNT) via a facile and capping agent free strategy using a sacrificial mesoporous silica (mSiO(2)) shell. The as-prepared PtZn iNPs exhibited ca. 10 times higher mass activity in both acidic andmore » basic solution toward the methanol oxidation reaction (MOR) compared to larger PtZn iNPs synthesized on MWNT without the mSiO2 shell. Density functional theory (DFT) calculations predict that PtZn systems go through a "non-CO" pathway for MOR because of the stabilization of the OH* intermediate by Zn atoms, while a pure Pt system forms highly stable COH* and CO* intermediates, leading to catalyst deactivation. Experimental studies on the origin of the backward oxidation peak of MOR coincide well with DFT predictions. Moreover, the calculations demonstrate that MOR on smaller PtZn iNPs is energetically more favorable than larger iNPs, due to their high density of corner sites and lower-lying energetic pathway. Therefore, smaller PtZn iNPs not only increase the number but also enhance the activity of the active sites in MOR compared with larger ones. This work opens a new avenue for the synthesis of small iNPs with more undercoordinated and enhanced active sites for fuel cell applications.« less

An intermetallic Au24Ag20 superatom nanocluster stabilized by labile ligands.

PubMed

Wang, Yu; Su, Haifeng; Xu, Chaofa; Li, Gang; Gell, Lars; Lin, Shuichao; Tang, Zichao; Häkkinen, Hannu; Zheng, Nanfeng

2015-04-08

An intermetallic nanocluster containing 44 metal atoms, Au24Ag20(2-SPy)4(PhC≡C)20Cl2, was successfully synthesized and structurally characterized by single-crystal analysis and density funtional theory computations. The 44 metal atoms in the cluster are arranged as a concentric three-shell Au12@Ag20@Au12 Keplerate structure having a high symmetry. For the first time, the co-presence of three different types of anionic ligands (i.e., phenylalkynyl, 2-pyridylthiolate, and chloride) was revealed on the surface of metal nanoclusters. Similar to thiolates, alkynyls bind linearly to surface Au atoms using their σ-bonds, leading to the formation of two types of surface staple units (PhC≡C-Au-L, L = PhC≡C(-) or 2-pyridylthiolate) on the cluster. The co-presence of three different surface ligands allows the site-specific surface and functional modification of the cluster. The lability of PhC≡C(-) ligands on the cluster was demonstrated, making it possible to keep the metal core intact while removing partial surface capping. Moreover, it was found that ligand exchange on the cluster occurs easily to offer various derivatives with the same metal core but different surface functionality and thus different solubility.

The influence of radiation-induced vacancy on the formation of thin-film of compound layer during a reactive diffusion process

NASA Astrophysics Data System (ADS)

Akintunde, S. O.; Selyshchev, P. A.

2016-05-01

A theoretical approach is developed that describes the formation of a thin-film of AB-compound layer under the influence of radiation-induced vacancy. The AB-compound layer is formed as a result of a chemical reaction between the atomic species of A and B immiscible layers. The two layers are irradiated with a beam of energetic particles and this process leads to several vacant lattice sites creation in both layers due to the displacement of lattice atoms by irradiating particles. A- and B-atoms diffuse via these lattice sites by means of a vacancy mechanism in considerable amount to reaction interfaces A/AB and AB/B. The reaction interfaces increase in thickness as a result of chemical transformation between the diffusing species and surface atoms (near both layers). The compound layer formation occurs in two stages. The first stage begins as an interfacial reaction controlled process, and the second as a diffusion controlled process. The critical thickness and time are determined at a transition point between the two stages. The influence of radiation-induced vacancy on layer thickness, speed of growth, and reaction rate is investigated under irradiation within the framework of the model presented here. The result obtained shows that the layer thickness, speed of growth, and reaction rate increase strongly as the defect generation rate rises in the irradiated layers. It also shows the feasibility of producing a compound layer (especially in near-noble metal silicide considered in this study) at a temperature below their normal formation temperature under the influence of radiation.

Formation of amorphous materials

DOEpatents

Johnson, William L.; Schwarz, Ricardo B.

1986-01-01

Metastable amorphous or fine crystalline materials are formed by solid state reactions by diffusion of a metallic component into a solid compound or by diffusion of a gas into an intermetallic compound. The invention can be practiced on layers of metals deposited on an amorphous substrate or by intermixing powders with nucleating seed granules. All that is required is that the diffusion of the first component into the second component be much faster than the self-diffusion of the first component. The method is practiced at a temperature below the temperature at which the amorphous phase transforms into one or more crystalline phases and near or below the temperature at which the ratio of the rate of diffusion of the first component to the rate of self-diffusion is at least 10.sup.4. This anomalous diffusion criteria is found in many binary, tertiary and higher ordered systems of alloys and appears to be found in all alloy systems that form amorphous materials by rapid quenching. The method of the invention can totally convert much larger dimensional materials to amorphous materials in practical periods of several hours or less.

Synthesizing Aluminum alloys by double mechanical alloying

NASA Astrophysics Data System (ADS)

Froyen, L.; Delaey, L.; Niu, X. P.; Le Brun, P.; Peytour, C.

1995-03-01

A new synthesis technique, namely double mechanical alloying (dMA), has been developed to fabricate aluminum alloys containing the finely distributed intermetallic compounds and inert dispersoids Al4C3 and Al2O3 The technique consists mainly of three steps: a primary milling stage of elemental powders (MAI) followed by a heat treatment to promote the formation of intermetallic phases, a secondary milling stage (MA2) to refine the microstructure, and consolidation of the produced powders. The results of mechanical and tribological properties of the resulting materials indicate that the dMA is a promising technique for the fabrication of aluminum alloys for applications requiring wear resistance and high-temperature performance.

Effects of Cooling Rate on Precipitate Evolution and Residual Stresses in Al-Si-Mn-Mg Casting Alloy

NASA Astrophysics Data System (ADS)

Lee, Eunkyung; Walde, Caitlin; Mishra, Brajendra

2018-07-01

The residual stresses with different heat treatment conditions have been measured and correlated with the microstructural behavior of AA365. 30 and 100 K/min cooling of AA365 inhibited the transformation of precipitates under 773 K, respectively. The alloy cooled at 30 and 100 K/min exhibited tensile residual stresses of 6.2 and 5.4 MPa, respectively, while the alloy cooled at 1 and 10 K/min showed compressive stresses of - 12.8 and - 10.3 MPa, respectively. The formation β', β″, and other intermetallic compounds affected the compressive residual stresses, and that the fracture of the brittle intermetallic phases could reduce the extent of residual stresses in the lattice through plastic deformation.

Effects of Cooling Rate on Precipitate Evolution and Residual Stresses in Al-Si-Mn-Mg Casting Alloy

NASA Astrophysics Data System (ADS)

Lee, Eunkyung; Walde, Caitlin; Mishra, Brajendra

2018-03-01

The residual stresses with different heat treatment conditions have been measured and correlated with the microstructural behavior of AA365. 30 and 100 K/min cooling of AA365 inhibited the transformation of precipitates under 773 K, respectively. The alloy cooled at 30 and 100 K/min exhibited tensile residual stresses of 6.2 and 5.4 MPa, respectively, while the alloy cooled at 1 and 10 K/min showed compressive stresses of - 12.8 and - 10.3 MPa, respectively. The formation β', β″, and other intermetallic compounds affected the compressive residual stresses, and that the fracture of the brittle intermetallic phases could reduce the extent of residual stresses in the lattice through plastic deformation.

Volatile organic compound emissions from green waste composting: Characterization and ozone formation

NASA Astrophysics Data System (ADS)

Kumar, Anuj; Alaimo, Christopher P.; Horowitz, Robert; Mitloehner, Frank M.; Kleeman, Michael J.; Green, Peter G.

2011-04-01

Composting of green waste separated from the disposed solid waste stream reduces biodegradable inputs into landfills, and contributes valuable soil amendments to agriculture. Agencies in regions with severe air quality challenges, such as California's San Joaquin Valley (SJV), have raised concerns about gases emitted during the composting process, which are suspected to contribute to persistent high levels of ground-level ozone formation. The goal of the current study is to thoroughly characterize volatile organic compound (VOC) emissions from green waste compost piles of different ages (fresh tipped piles, 3-6 day old windrows, and 2-3 week old windrows). Multiple sampling and analytical approaches were applied to ensure the detection of most gaseous organic components emitted. More than 100 VOCs were detected and quantified in this study, including aliphatic alkanes, alkenes, aromatic hydrocarbons, biogenic organics, aldehydes, ketones, alcohols, furans, acids, esters, ether, halogenated hydrocarbons and dimethyl disulfide (DMDS). Alcohols were found to be the dominating VOC in the emissions from a compost pile regardless of age, with fluxes ranging from 2.6 to 13.0 mg m -2 min -1 with the highest emissions coming from the younger composting windrows (3-6 days). Average VOC emissions other than alcohols were determined to be 2.3 mg m -2 min -1 from younger windows, which was roughly two times higher than either the fresh tipping pile (1.2 mg m -2 min -1) or the older windrows (1.4 mg m -2 min -1). It was also observed that the older windrows emit a slightly larger proportion of more reactive compounds. Approximately 90% of the total VOCs were found to have maximum incremental reactivity of less than 2. Net ozone formation potential of the emissions was also assessed.

High-temperature vacant lattice site formation in solids and free volumes in melts studied by positron lifetime measurements

NASA Astrophysics Data System (ADS)

Schaefer, H.-E.

1991-05-01

In the present paper a concise review is given of the application of positron lifetime measurements to the study of high-temperature vacancies in intermetallic compounds (F 76.3Al 23.7), in metal oxides (NiO), in elemental semiconductors (Si, Ge), and of the oxygen loss or uptake in YBa 2Cu 3O 7-δ. Investigations of free volumes in elemental melts (Al, In, Ge) are included.

Ozone-Induced Responses in Croton floribundus Spreng. (Euphorbiaceae): Metabolic Cross-Talk between Volatile Organic Compounds and Calcium Oxalate Crystal Formation

PubMed Central

Cardoso-Gustavson, Poliana; Bolsoni, Vanessa Palermo; de Oliveira, Debora Pinheiro; Guaratini, Maria Tereza Gromboni; Aidar, Marcos Pereira Marinho; Marabesi, Mauro Alexandre; Alves, Edenise Segala; de Souza, Silvia Ribeiro

2014-01-01

Here, we proposed that volatile organic compounds (VOC), specifically methyl salicylate (MeSA), mediate the formation of calcium oxalate crystals (COC) in the defence against ozone (O3) oxidative damage. We performed experiments using Croton floribundus, a pioneer tree species that is tolerant to O3 and widely distributed in the Brazilian forest. This species constitutively produces COC. We exposed plants to a controlled fumigation experiment and assessed biochemical, physiological, and morphological parameters. O3 induced a significant increase in the concentrations of constitutive oxygenated compounds, MeSA and terpenoids as well as in COC number. Our analysis supported the hypothesis that ozone-induced VOC (mainly MeSA) regulate ROS formation in a way that promotes the opening of calcium channels and the subsequent formation of COC in a fast and stable manner to stop the consequences of the reactive oxygen species in the tissue, indeed immobilising the excess calcium (caused by acute exposition to O3) that can be dangerous to the plant. To test this hypothesis, we performed an independent experiment spraying MeSA over C. floribundus plants and observed an increase in the number of COC, indicating that this compound has a potential to directly induce their formation. Thus, the tolerance of C. floribundus to O3 oxidative stress could be a consequence of a higher capacity for the production of VOC and COC rather than the modulation of antioxidant balance. We also present some insights into constitutive morphological features that may be related to the tolerance that this species exhibits to O3. PMID:25165889

Volatilization of low vapor pressure--volatile organic compounds (LVP-VOCs) during three cleaning products-associated activities: Potential contributions to ozone formation.

PubMed

Shin, Hyeong-Moo; McKone, Thomas E; Bennett, Deborah H

2016-06-01

There have been many studies to reduce ozone formation mostly from volatile organic compound (VOC) sources. However, the role of low vapor pressure (LVP)-VOCs from consumer products remains mostly unexplored and unaddressed. This study explores the impact of high production volume LVP-VOCs on ozone formation from three cleaning products-associated activities (dishwashing, clothes washing, and surface cleaning). We develop a model framework to account for the portion available for ozone formation during the use phase and from the down-the-drain disposal. We apply experimental studies that measured emission rates or models that were developed for estimating emission rates of organic compounds during the use phase. Then, the fraction volatilized (fvolatilized) and the fraction disposed down the drain (fdown-the-drain) are multiplied by the portion available for ozone formation for releases to the outdoor air (fO3|volatilized) and down-the-drain (fO3|down-the-drain), respectively. Overall, for chemicals used in three specific cleaning-product uses, fvolatilized is less than 0.6% for all studied LVP-VOCs. Because greater than 99.4% of compounds are disposed of down the drain during the use phase, when combined with fO3|volatilized and fO3|down-the-drain, the portion available for ozone formation from the direct releases to outdoor air and the down-the-drain disposal is less than 0.4% and 0.2%, respectively. The results from this study indicate that the impact of the studied LVP-VOCs on ozone formation is very sensitive to what occurs during the use phase and suggest the need for future research on experimental work at the point of use. Copyright © 2016 Elsevier Ltd. All rights reserved.

Lanthanum nickel aluminum alloy

DOEpatents

Gruen, Dieter M.; Mendelsohn, Marshall H.; Dwight, Austin E.

1979-01-01

A ternary intermetallic compound capable of reversible sorption of hydrogen having the chemical formula LaNi.sub.5-x Al.sub.x, where x is in the range of about 0.01 to 1.5 and the method of storing hydrogen using the intermetallic compound.

Ni.sub.3 Al-based intermetallic alloys having improved strength above 850.degree. C.

DOEpatents

Liu, Chain T.

2000-01-01

Intermetallic alloys composed essentially of: 15.5% to 17.0% Al, 3.5% to 5.5% Mo, 4% to 8% Cr, 0.04% to 0.2% Zr, 0.04% to 1.5% B, balance Ni, are characterized by melting points above 1200.degree. C. and superior strengths at temperatures above 1000.degree. C.

Second-moment equality and the structural chemistry of the main-group intermetallic compounds

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

Lee, S.

1991-01-02

The authors determine electron counting rules for ZA{sub 2{minus}x}B{sub x} compounds, where Z is an electropositive atoms and A and B are main-group atoms. These rules are derived from a Huckel-type theory. Agreement between theory and experiment for all the major ZA{sub 2{minus}x}B{sub x} families, which include the MgCu{sub 2}, MoSi{sub 2}, CeCd{sub 2}, CeCu{sub 2}, MgAgAs, CaIn{sub 2}, AlB{sub 2}, ThSi{sub 2}, and Cu{sub 2}Sb structure types, is excellent. The results are interpreted by use of the method of moments.

Corrosion and protection of heterogeneous cast Al-Si (356) and Al-Si-Cu-Fe (380) alloys by chromate adn cerium inhibitors

NASA Astrophysics Data System (ADS)

Jain, Syadwad

In this study, the localized corrosion and conversion coating on cast alloys 356 (Al-7.0Si-0.3Mg) and 380 (Al-8.5Si-3.5Cu-1.6Fe) were characterized. The intermetallic phases presence in the permanent mold cast alloy 356 are primary-Si, Al5FeSi, Al8Si6Mg3Fe and Mg2Si. The die cast alloy 380 is rich in Cu and Fe elements. These alloying elements result in formation of the intermetallic phases Al 5FeSi, Al2Cu and Al(FeCuCr) along with primary-Si. The Cu- and Fe-rich IMPS are cathodic with respect to the matrix phase and strongly govern the corrosion behavior of the two cast alloys in an aggressive environment due to formation of local electrochemical cell in their vicinity. Results have shown that corrosion behavior of permanent mould cast alloy 356 is significantly better than the die cast aluminum alloy 380, primarily due to high content of Cu- and Fe-rich phases such as Al2Cu and Al 5FeSi in the latter. The IMPS also alter the protection mechanism of the cast alloys in the presence of inhibitors in an environment. The presence of chromate in the solution results in reduced cathodic activity on all the phases. Chromate provides some anodic inhibition by increasing pitting potentials and altering corrosion potentials for the phases. Results have shown that performance of CCC was much better on 356 than on 380, primarily due to inhomogeneous and incomplete coating deposition on Cu- and Fe- phases present in alloy 380. XPS and Raman were used to characterize coating deposition on intermetallics. Results show evidence of cyanide complex formation on the intermetallic phases. The presence of this complex is speculated to locally suppress CCC formation. Formation and breakdown of cerium conversion coatings on 356 and 380 was also analyzed. Results showed that deposition of cerium hydroxide started with heavy precipitation on intermetallic particles with the coatings growing outwards onto the matrix. Electrochemical analysis of synthesized intermetallics compounds in the

Cohesive properties of (Cu,Ni)-(In,Sn) intermetallics: Database, electron-density correlations and interpretation of bonding trends

NASA Astrophysics Data System (ADS)

Ramos, S. B.; González Lemus, N. V.; Cabeza, G. F.; Fernández Guillermet, A.

2016-06-01

This paper presents a systematic and comparative study of the composition and volume dependence of the cohesive properties for a large group of Me-X intermetallic phases (IPs) with Me=Cu,Ni and X=In,Sn, which are of interest in relation with the design of lead-free soldering (LFS) alloys. The work relies upon a database with total-energy versus volume information developed by using projected augmented waves (PAW) calculations. In previous papers by the current authors it was shown that these results account satisfactorily for the direct and indirect experimental data available. In the present work, the database is further expanded to investigate the composition dependence of the volume (V0), and the composition and volume dependence of the bulk modulus (B0) and cohesive energy (Ecoh). On these bases, an analysis is performed of the systematic effects of replacing Cu by Ni in several Me-X phases (Me=Cu,Ni and X=In,Sn) reported as stable and metastable, as well as various hypothetical compounds involved in the thermodynamic modeling of IPs using the Compound-Energy Formalism. Moreover, it is shown that the cohesion-related quantities (B0/V0)½ and (Ecoh½/V0) can be correlated with a parameter expressing the number of valence electrons per unit volume. These findings are compared in detail with related relations involving the Miedema empirical electron density at the boundary of the Wigner-Seitz cell. In view of the co-variation of the cohesive properties, Ecoh is selected as a key property and its composition and structure dependence is examined in terms of a theoretical view of the bonding which involves the hybridization of the d-states of Cu or Ni with the s and p-states of In or Sn, for this class of compounds. In particular, a comparative analysis is performed of the DOS of various representative, iso-structural Me-X compounds. Various effects of relevance to understand the consequences of replacing Cu by Ni in LFS alloys are highlighted and explained

Thin film Heusler compounds manganese nickel gallium

NASA Astrophysics Data System (ADS)

Jenkins, Catherine Ann

Multiferroic Heusler compounds Mn3--xNi xGa (x=0,1,2) have a tetragonal unit cell that can variously be used for magneto-mechanically coupled shape memory ( x=1,2) and spin-mechanical applications (x=0). The first fabrication of fully epitaxial thin films of these and electronically related compounds by sputtering is discussed. Traditional and custom lab characterization of the magnetic and temperature driven multiferroic behavior is augmented by more detailed synchrotron-based high energy photoemission spectroscopic techniques to describe the atomic and electronic structure. Integration of the MnNi2Ga magnetic shape memory compound in microwave patch antennas and active free-standing structures represents a fraction of the available and promising applications for these compounds. Prototype magnetic tunnel junctions are demonstrated by Mn3Ga electrodes with perpendicular anisotropy for spin torque transfer memory structures. The main body of the work concentrates on the definition and exploration of the material series Mn3--xNi xGa (x=0,1,2) and the relevant multiferroic phenomena exhibited as a function of preparation and external stimuli. Engineering results on each x=0,1,2 are presented with device prototypes where relevant. In the appendices the process of the materials design undertaken with the goal of developing new ternary intermetallics with enhanced properties is presented with a full exploration of the road from band structure calculations to device implementation. Cobalt based compounds in single crystal and nanoparticle form are fabricated with an eye to developing the production methods for new cobalt- and iron-based magnetic shape memory compounds for device applications in different forms. Mn2CoSn, a compound isolectronic and with similar atomic ordering to Mn2NiGa is experimentally determined to be a nearly half-metallic ferromagnet in contrast to the metallic ferrimagnetism in the parent compound. High energy photoemission spectroscopy is shown to

Aging Studies of Cu-Sn Intermetallics in Cu Micropillars Used in Flip Chip Attachment onto Cu Lead Frames

NASA Astrophysics Data System (ADS)

Roma, Maria Penafrancia C.; Kudtarkar, Santosh; Kierse, Oliver; Sengupta, Dipak; Cho, Junghyun

2018-02-01

Copper micropillars plated onto a silicon die and soldered with Sn-Ag solder to a copper lead frame in a flip chip on lead package have been subjected to high-temperature storage at 150°C and 175°C for 500 h, 1000 h, and 1500 h. Cu6Sn5 and Cu3Sn intermetallic compounds were found on both sides of the solder, but the growth rates were not the same as evidenced by different values of the growth exponent n. Cu and Sn diffusion controlled the Cu3Sn growth in the Cu pillar interface ( n ≈ 0.5), while interface reactions controlled the growth in the Cu lead frame interface ( n ≈ 0.8). Increasing the aging temperature increased the growth of Cu3Sn as well as the presence of microvoids in the Cu lead frame side. Adding Ni as a barrier layer on the Cu pillar prevented the growth of Cu3Sn in the Cu pillar interface and reduced its growth rate on the lead frame side, even at higher aging temperatures.

Three Dimensional Characterization of Tin Crystallography and Cu6Sn5 Intermetallics in Solder Joints by Multiscale Tomography

NASA Astrophysics Data System (ADS)

Kirubanandham, A.; Lujan-Regalado, I.; Vallabhaneni, R.; Chawla, N.

2016-11-01

Decreasing pitch size in electronic packaging has resulted in a drastic decrease in solder volumes. The Sn grain crystallography and fraction of intermetallic compounds (IMCs) in small-scale solder joints evolve much differently at the smaller length scales. A cross-sectional study limits the morphological analysis of microstructural features to two dimensions. This study utilizes serial sectioning technique in conjunction with electron backscatter diffraction to investigate the crystallographic orientation of both Sn grains and Cu6Sn5 IMCs in Cu/Pure Sn/Cu solder joints in three dimensional (3D). Quantification of grain aspect ratio is affected by local cooling rate differences within the solder volume. Backscatter electron imaging and focused ion beam serial sectioning enabled the visualization of morphology of both nanosized Cu6Sn5 IMCs and the hollow hexagonal morphology type Cu6Sn5 IMCs in 3D. Quantification and visualization of microstructural features in 3D thus enable us to better understand the microstructure and deformation mechanics within these small scale solder joints.

Metal-Intermetallic Laminate Ti-Al3Ti Composites Produced by Spark Plasma Sintering of Titanium and Aluminum Foils Enclosed in Titanium Shells

NASA Astrophysics Data System (ADS)

Lazurenko, Daria V.; Mali, Vyacheslav I.; Bataev, Ivan A.; Thoemmes, Alexander; Bataev, Anatoly A.; Popelukh, Albert I.; Anisimov, Alexander G.; Belousova, Natalia S.

2015-09-01

Metal-intermetallic laminate composites are considered as promising materials for application in the aerospace industry. In this study, Ti-Al3Ti composites enclosed in titanium cases were produced by reactive spark plasma sintering. Sintering was carried out at 1103 K and 1323 K (830 °C and 1050 °C) for 10 minutes. In both cases, high-quality Ti-Al3Ti composites containing thin transition layers at the interfaces were obtained. Al2Ti, AlTi, and AlTi3 intermetallic phases and a solid solution of aluminum in titanium were observed in the transition layers by scanning and transmission electron microscopy. The material sintered at 1323 K (1050 °C) had higher strength in comparison with the composite obtained at 1103 K (830 °C). However, the hardness of the intermetallic component in the sample sintered at higher temperature decreased due to the grain growth. The impact toughness values of both materials were approximately identical.

Oral Administration of the Broad-Spectrum Antibiofilm Compound Toremifene Inhibits Candida albicans and Staphylococcus aureus Biofilm Formation In Vivo

PubMed Central

De Cremer, Kaat; Delattin, Nicolas; De Brucker, Katrijn; Peeters, Annelies; Kucharíková, Soña; Gerits, Evelien; Verstraeten, Natalie; Michiels, Jan; Van Dijck, Patrick; Thevissen, Karin

2014-01-01

We here report on the in vitro activity of toremifene to inhibit biofilm formation of different fungal and bacterial pathogens, including Candida albicans, Candida glabrata, Candida dubliniensis, Candida krusei, Pseudomonas aeruginosa, Staphylococcus aureus, and Staphylococcus epidermidis. We validated the in vivo efficacy of orally administered toremifene against C. albicans and S. aureus biofilm formation in a rat subcutaneous catheter model. Combined, our results demonstrate the potential of toremifene as a broad-spectrum oral antibiofilm compound. PMID:25288093

Melt-Spun Fe-Sb Intermetallic Alloy Anode for Performance Enhanced Sodium-Ion Batteries.

PubMed

Edison, Eldho; Sreejith, Sivaramapanicker; Madhavi, Srinivasan

2017-11-15

Owing to the high theoretical sodiation capacities, intermetallic alloy anodes have attracted considerable interest as electrodes for next-generation sodium-ion batteries (SIBs). Here, we demonstrate the fabrication of intermetallic Fe-Sb alloy anode for SIBs via a high-throughput and industrially viable melt-spinning process. The earth-abundant and low-cost Fe-Sb-based alloy anode exhibits excellent cycling stability with nearly 466 mAh g -1 sodiation capacity at a specific current of 50 mA g -1 with 95% capacity retention after 80 cycles. Moreover, the alloy anode displayed outstanding rate performance with ∼300 mAh g -1 sodiation capacity at 1 A g -1 . The crystalline features of the melt-spun fibers aid in the exceptional electrochemical performance of the alloy anode. Further, the feasibility of the alloy anode for real-life applications was demonstrated in a sodium-ion full-cell configuration which could deliver a sodiation capacity of over 300 mAh g -1 (based on anode) at 50 mA g -1 with more than 99% Coulombic efficiency. The results further exhort the prospects of melt-spun alloy anodes to realize fully functional sodium-ion batteries.

Microstructural Characterization of Friction Stir Welded Aluminum-Steel Joints

NASA Astrophysics Data System (ADS)

Patterson, Erin E.; Hovanski, Yuri; Field, David P.

2016-06-01

This work focuses on the microstructural characterization of aluminum to steel friction stir welded joints. Lap weld configuration coupled with scribe technology used for the weld tool have produced joints of adequate quality, despite the significant differences in hardness and melting temperatures of the alloys. Common to friction stir processes, especially those of dissimilar alloys, are microstructural gradients including grain size, crystallographic texture, and precipitation of intermetallic compounds. Because of the significant influence that intermetallic compound formation has on mechanical and ballistic behavior, the characterization of the specific intermetallic phases and the degree to which they are formed in the weld microstructure is critical to predicting weld performance. This study used electron backscatter diffraction, energy dispersive spectroscopy, scanning electron microscopy, and Vickers micro-hardness indentation to explore and characterize the microstructures of lap friction stir welds between an applique 6061-T6 aluminum armor plate alloy and a RHA homogeneous armor plate steel alloy. Macroscopic defects such as micro-cracks were observed in the cross-sectional samples, and binary intermetallic compound layers were found to exist at the aluminum-steel interfaces of the steel particles stirred into the aluminum weld matrix and across the interfaces of the weld joints. Energy dispersive spectroscopy chemical analysis identified the intermetallic layer as monoclinic Al3Fe. Dramatic decreases in grain size in the thermo-mechanically affected zones and weld zones that evidenced grain refinement through plastic deformation and recrystallization. Crystallographic grain orientation and texture were examined using electron backscatter diffraction. Striated regions in the orientations of the aluminum alloy were determined to be the result of the severe deformation induced by the complex weld tool geometry. Many of the textures observed in the weld

On oscillatory microstructure during cellular growth of directionally solidified Sn–36at.%Ni peritectic alloy

PubMed Central

Peng, Peng; Li, Xinzhong; Li, Jiangong; Su, Yanqing; Guo, Jingjie

2016-01-01

An oscillatory microstructure has been observed during deep-cellular growth of directionally solidified Sn–36at.%Ni hyperperitectic alloy containing intermetallic compounds with narrow solubility range. This oscillatory microstructure with a dimension of tens of micrometers has been observed for the first time. The morphology of this wave-like oscillatory structure is similar to secondary dendrite arms, and can be observed only in some local positions of the sample. Through analysis such as successive sectioning of the sample, it can be concluded that this oscillatory microstructure is caused by oscillatory convection of the mushy zone during solidification. And the influence of convection on this oscillatory microstructure was characterized through comparison between experimental and calculations results on the wavelength. Besides, the change in morphology of this oscillatory microstructure has been proved to be caused by peritectic transformation during solidification. Furthermore, the melt concentration increases continuously during solidification of intermetallic compounds with narrow solubility range, which helps formation of this oscillatory microstructure. PMID:27066761

On oscillatory microstructure during cellular growth of directionally solidified Sn-36at.%Ni peritectic alloy.

PubMed

Peng, Peng; Li, Xinzhong; Li, Jiangong; Su, Yanqing; Guo, Jingjie

2016-04-12

An oscillatory microstructure has been observed during deep-cellular growth of directionally solidified Sn-36at.%Ni hyperperitectic alloy containing intermetallic compounds with narrow solubility range. This oscillatory microstructure with a dimension of tens of micrometers has been observed for the first time. The morphology of this wave-like oscillatory structure is similar to secondary dendrite arms, and can be observed only in some local positions of the sample. Through analysis such as successive sectioning of the sample, it can be concluded that this oscillatory microstructure is caused by oscillatory convection of the mushy zone during solidification. And the influence of convection on this oscillatory microstructure was characterized through comparison between experimental and calculations results on the wavelength. Besides, the change in morphology of this oscillatory microstructure has been proved to be caused by peritectic transformation during solidification. Furthermore, the melt concentration increases continuously during solidification of intermetallic compounds with narrow solubility range, which helps formation of this oscillatory microstructure.

Theoretical simulations of the structural stabilities, elastic, thermodynamic and electronic properties of Pt3Sc and Pt3Y compounds

NASA Astrophysics Data System (ADS)

Boulechfar, R.; Khenioui, Y.; Drablia, S.; Meradji, H.; Abu-Jafar, M.; Omran, S. Bin; Khenata, R.; Ghemid, S.

2018-05-01

Ab-initio calculations based on density functional theory have been performed to study the structural, electronic, thermodynamic and mechanical properties of intermetallic compounds Pt3Sc and Pt3Y using the full-potential linearized augmented plane wave(FP-LAPW) method. The total energy calculations performed for L12, D022 and D024 structures confirm the experimental phase stability. Using the generalized gradient approximation (GGA), the values of enthalpies formation are -1.23 eV/atom and -1.18 eV/atom for Pt3Sc and Pt3Y, respectively. The densities of states (DOS) spectra show the existence of a pseudo-gap at the Fermi level for both compounds which indicate the strong spd hybridization and directing covalent bonding. Furthermore, the density of states at the Fermi level N(EF), the electronic specific heat coefficient (γele) and the number of bonding electrons per atom are predicted in addition to the elastic constants (C11, C12 and C44). The shear modulus (GH), Young's modulus (E), Poisson's ratio (ν), anisotropy factor (A), ratio of B/GH and Cauchy pressure (C12-C44) are also estimated. These parameters show that the Pt3Sc and Pt3Y are ductile compounds. The thermodynamic properties were calculated using the quasi-harmonic Debye model to account for their lattice vibrations. In addition, the influence of the temperature and pressure was analyzed on the heat capacities (Cp and Cv), thermal expansion coefficient (α), Debye temperature (θD) and Grüneisen parameter (γ).

Reversible formation of ammonium persulfate/sulfuric acid graphite intercalation compounds and their peculiar Raman spectra.

PubMed

Dimiev, Ayrat M; Bachilo, Sergei M; Saito, Riichiro; Tour, James M

2012-09-25

Graphite intercalation compounds (GICs) can be considered stacks of individual doped graphene layers. Here we demonstrate a reversible formation of sulfuric acid-based GICs using ammonium persulfate as the chemical oxidizing agent. No covalent chemical oxidation leading to the formation of graphite oxide occurs, which inevitably happens when other compounds such as potassium permanganate are used to charge carbon layers. The resulting acid/persulfate-induced stage-1 and stage-2 GICs are characterized by suppression of the 2D band in the Raman spectra and by unusually strong enhancement of the G band. The G band is selectively enhanced at different doping levels with different excitations. These observations are in line with recent reports for chemically doped and gate-modulated graphene and support newly proposed theories of Raman processes. At the same time GICs have some advantageous differences over graphene, which are demonstrated in this report. Our experimental observations, along with earlier reported data, suggest that at high doping levels the G band cannot be used as the reference peak for normalizing Raman spectra, which is a commonly used practice today. A Fermi energy shift of 1.20-1.25 eV and ∼1.0 eV was estimated for the stage-1 and stage-2 GICs, respectively, from the Raman and optical spectroscopy data.

Formation of the low-resistivity compound Cu{sub 3}Ge by low-temperature treatment in an atomic hydrogen flux

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

Erofeev, E. V., E-mail: erofeev@micran.ru; Kazimirov, A. I.; Fedin, I. V.

The systematic features of the formation of the low-resistivity compound Cu{sub 3}Ge by low-temperature treatment of a Cu/Ge two-layer system in an atomic hydrogen flux are studied. The Cu/Ge two-layer system is deposited onto an i-GaAs substrate. Treatment of the Cu/Ge/i-GaAs system, in which the layer thicknesses are, correspondingly, 122 and 78 nm, in atomic hydrogen with a flux density of 10{sup 15} at cm{sup 2} s{sup –1} for 2.5–10 min at room temperature induces the interdiffusion of Cu and Ge, with the formation of a polycrystalline film containing the stoichiometric Cu{sub 3}Ge phase. The film consists of vertically orientedmore » grains 100–150 nm in size and exhibits a minimum resistivity of 4.5 µΩ cm. Variations in the time of treatment of the Cu/Ge/i-GaAs samples in atomic hydrogen affect the Cu and Ge depth distribution, the phase composition of the films, and their resistivity. Experimental observation of the synthesis of the Cu{sub 3}Ge compound at room temperature suggests that treatment in atomic hydrogen has a stimulating effect on both the diffusion of Cu and Ge and the chemical reaction of Cu{sub 3}Ge-compound formation. These processes can be activated by the energy released upon the recombination of hydrogen atoms adsorbed at the surface of the Cu/Ge/i-GaAs sample.« less

Method of fabricating a homogeneous wire of inter-metallic alloy

DOEpatents

Ohriner, Evan Keith; Blue, Craig Alan

2001-01-01

A method for fabricating a homogeneous wire of inter-metallic alloy comprising the steps of providing a base-metal wire bundle comprising a metal, an alloy or a combination thereof; working the wire bundle through at least one die to obtain a desired dimension and to form a precursor wire; and, controllably heating the precursor wire such that a portion of the wire will become liquid while simultaneously maintaining its desired shape, whereby substantial homogenization of the wire occurs in the liquid state and additional homogenization occurs in the solid state resulting in a homogenous alloy product.

High-temperature site preference and atomic short-range ordering characteristics of ternary alloying elements in γ'-Ni3Al intermetallics

NASA Astrophysics Data System (ADS)

Eriş, Rasim; Mekhrabov, Amdulla O.; Akdeniz, M. Vedat

2017-10-01

Remarkable high-temperature mechanical properties of nickel-based superalloys are correlated with the arrangement of ternary alloying elements in L12-type-ordered γ‧-Ni3Al intermetallics. In the current study, therefore, high-temperature site occupancy preference and energetic-structural characteristics of atomic short-range ordering (SRO) of ternary alloying X elements (X = Mo, W, Ta, Hf, Re, Ru, Pt or Co) in Ni75Al21.875X3.125 alloy systems have been studied by combining the statistico-thermodynamical theory of ordering and electronic theory of alloys in the pseudopotential approximation. Temperature dependence of site occupancy tendencies of alloying X element atoms has been predicted by calculating partial ordering energies and SRO parameters of Ni-Al, Ni-X and Al-X atomic pairs. It is shown that, all ternary alloying element atoms (except Pt) tend to occupy Al, whereas Pt atoms prefer to substitute for Ni sub-lattice sites of Ni3Al intermetallics. However, in contrast to other X elements, sub-lattice site occupancy characteristics of Re atoms appear to be both temperature- and composition-dependent. Theoretical calculations reveal that site occupancy preference of Re atoms switches from Al to both Ni and Al sites at critical temperatures, Tc, for Re > 2.35 at%. Distribution of Re atoms at both Ni and Al sub-lattice sites above Tc may lead to localised supersaturation of the parent Ni3Al phase and makes possible the formation of topologically close-packed (TCP) phases. The results of the current theoretical and simulation study are consistent with other theoretical and experimental investigations published in the literature.

Chemical Frustration. A Design Principle for the Discovery of New Complex Alloy and Intermetallic Phases, Final Report

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

Fredrickson, Daniel C

2015-06-23

Final technical report for "Chemical Frustration: A Design Principle for the Discovery of New Complex Alloy and Intermetallic Phases" funded by the Office of Science through the Materials Chemistry Program of the Office of Basic Energy Sciences.

Ionic strength-induced formation of smectite quasicrystals enhances nitroaromatic compound sorption.

PubMed

Li, Hui; Pereira, Tanya R; Teppen, Brian J; Laird, David A; Johnston, Cliff T; Boyd, Stephen A

2007-02-15

Sorption of organic contaminants by soils is a determinant controlling their transport and fate in the environment. The influence of ionic strength on nitroaromatic compound sorption by K+- and Ca2+ -saturated smectite was examined. Sorption of 1,3-dinitrobenzene by K-smectite increased as KCl ionic strength increased from 0.01 to 0.30 M. In contrast, sorption by Ca-smectite at CaCl2 ionic strengths of 0.015 and 0.15 M remained essentially the same. The "salting-out" effect on the decrease of 1,3-dinitrobenzene aqueous solubility within this ionic strength range was <1.5% relative to the solubility in pure water. This decrease of solubility is insufficient to account for the observed increase of sorption by K-smectite with increasing KCl ionic strength. X-ray diffraction patterns and light absorbance of K-clay suspensions indicated the aggregation of clay particles and the formation of quasicrystal structures as KCI ionic strength increased. Sorption enhancement is attributed to the formation of better-ordered K-clay quasicrystals with reduced interlayer distances rather than to the salting-out effect. Dehydration of 1,3-dinitrobenzene is apparently a significant driving force for sorption, and we show for the first time that sorption of small, planar, neutral organic molecules, namely, 1,3-dinitrobenzene, causes previously expanded clay interlayers to dehydrate and collapse in aqueous suspension.

Effect of different cooking methods on lipid oxidation and formation of volatile compounds in foal meat.

PubMed

Domínguez, Rubén; Gómez, María; Fonseca, Sonia; Lorenzo, José M

2014-06-01

The influence of four different cooking methods (roasting, grilling, microwaving and frying) on cooking loss, lipid oxidation and volatile profile of foal meat was studied. Cooking loss were significantly (P<0.001) affected by thermal treatment, being higher (32.5%) after microwaving and lower after grilling (22.5%) and frying (23.8%). As expected, all the cooking methods increased TBARs content, since high temperature during cooking causes increased oxidation in foal steaks, this increase was significantly (P<0.001) higher when foal steaks were microwaved or roasted. The four different cooking methods led to increased total volatile compounds (between 366.7 and 633.1AU×10(6)/g dry matter) compared to raw steaks (216.4AU×10(6)/g dry matter). The roasted steaks showed the highest volatile content, indicating that increased cooking temperature increases the formation of volatile compounds. Aldehydes were the most abundant compounds in cooked samples, with amounts of 217.2, 364.5, 283.5 and 409.1AU×10(6)/g dry matter in grilled, microwaved, fried and roasted samples, respectively, whereas esters were the most abundant compounds in raw samples, with mean amounts of 98.8AU×10(6)/g dry matter. Copyright © 2014 Elsevier Ltd. All rights reserved.

Imido-pyridine Ti(IV) compounds: synthesis of unusual imido-amido heterobimetallic derivatives.

PubMed

Pedrosa, Sergio; Vidal, Fernando; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Gómez-Sal, Pilar; Mosquera, Marta E G

2015-06-28

The reaction of lithiated picolines and [TiCl3(η(5)-C5Me5)] leads to several bridging or terminal imido compounds, each of which can be selectively formed by controlling the stoichiometry and temperature. Specifically, the dinuclear imido-bridged [TiCl(η(5)-C5Me5)(μ-NR)]2 (1a, NR = 2-imido-3-picoline; 1b, NR = 2-imido-5-picoline) species and the unusual Ti-Li imido-amido heterobimetallic complex [{Li(THF)}{Ti(η(5)-C5Me5)(NR)(NHR)2}] (2a, NR = 2-imido-3-picoline; 2b, NR = 2-imido-5-picoline) were isolated. Compounds 2 are in effect the first structurally characterized examples of titanium(IV) coordinated to terminal imido-pyridines. DFT-D calculations for 2a denote a multiple bond character between titanium and the imido ligand and a strong polarization of the electron density by the alkali cation in spite of the lack of intermetallic bonding.

High-Strength, Superelastic Compounds

NASA Technical Reports Server (NTRS)

Stanford, Malcolm; Noebe, Ronald; Dellacorte, Christopher; Bigelow, Glen; Thomas, Fransua

2013-01-01

In a previous disclosure, the use of 60- NiTiNOL, an ordered intermetallic compound composed of 60 weight percent nickel and 40 weight percent titanium, was investigated as a material for advanced aerospace bearings due to its unique combination of physical properties. Lessons learned during the development of applications for this material have led to the discovery that, with the addition of a ternary element, the resulting material can be thermally processed at a lower temperature to attain the same desirable hardness level as the original material. Processing at a lower temperature is beneficial, not only because it reduces processing costs from energy consumption, but because it also significantly reduces the possibility of quench cracking and thermal distortion, which have been problematic with the original material. A family of ternary substitutions has been identified, including Hf and Zr in various atomic percentages with varying concentrations of Ni and Ti. In the present innovation, a ternary intermetallic compound consisting of 57.6 weight percent Ni, 39.2 weight percent Ti, and 3.2 weight percent Hf (54Ni-45Ti-1Hf atomic percent) was prepared by casting. In this material, Hf substitutes for some of the Ti atoms in the material. In an alternate embodiment of the innovation, Zr, which is close in chemical behavior to Hf, is used as the substitutional element. With either substitution, the solvus temperature of the material is reduced, and lower temperatures can be used to obtain the necessary hardness values. The advantages of this innovation include the ability to solution-treat the material at a lower temperature and still achieve the required hardness for bearings (at least 50 Rockwell C) and superelastic behavior with recoverable strains greater than 2%. Most structural alloys will not return to their original shape after being deformed as little as 0.2% (a tenth of that possible with superelastic materials like 60 NiTiNOL). Because lower temperatures

Core-Shell PdPb@Pd Aerogels with Multiply-Twinned Intermetallic Nanostructures: Facile Synthesis with Accelerated Gelation Kinetics and Their Enhanced Electrocatalytic Properties

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

Zhu, Chengzhou; Shi, Qiurong; Fu, Shaofang

2018-04-04

Delicately engineering the well-defined noble metal aerogels with favorable structural and compositional features is of vital importance for wide applications. Here, we reported one-pot and facile method for synthesizing core-shell PdPb@Pd hydrogels/aerogels with multiply-twinned grains and ordered intermetallic phase using sodium hypophosphite as a multifunctional reducing agent. Due to the accelerated gelation kinetics induced by increased reaction temperature and specific function of sodium hypophosphite, the formation of hydrogels can be completed within 4 hrs, far faster than the previous reports. Owe to their unique porous structure and favorable geometric and electronic effects, the optimized PdPb@Pd aerogels exhibit enhanced electrochemical performancemore » towards ethylene glycol oxidation with a mass activity of 5.8 times higher than Pd black.« less

Core–shell PdPb@Pd aerogels with multiply-twinned intermetallic nanostructures: facile synthesis with accelerated gelation kinetics and their enhanced electrocatalytic properties

DOE PAGES

Zhu, Chengzhou; Shi, Qiurong; Fu, Shaofang; ...

2018-04-04

Delicately engineering well-defined noble metal aerogels with favorable structural and compositional features is of vital importance for wide applications. Here, we reported a one-pot and facile method for synthesizing core–shell PdPb@Pd hydrogels/aerogels with multiply-twinned grains and an ordered intermetallic phase using sodium hypophosphite as a multifunctional reducing agent. Due to the accelerated gelation kinetics induced by increased reaction temperature and the specific function of sodium hypophosphite, the formation of hydrogels can be completed within 4 h. As a result, owing to their unique porous structure and favorable geometric and electronic effects, the optimized PdPb@Pd aerogels exhibit enhanced electrochemical performance towardsmore » ethylene glycol oxidation with a mass activity of 5.8 times higher than Pd black.« less

Core–shell PdPb@Pd aerogels with multiply-twinned intermetallic nanostructures: facile synthesis with accelerated gelation kinetics and their enhanced electrocatalytic properties

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

Zhu, Chengzhou; Shi, Qiurong; Fu, Shaofang

Delicately engineering well-defined noble metal aerogels with favorable structural and compositional features is of vital importance for wide applications. Here, we reported a one-pot and facile method for synthesizing core–shell PdPb@Pd hydrogels/aerogels with multiply-twinned grains and an ordered intermetallic phase using sodium hypophosphite as a multifunctional reducing agent. Due to the accelerated gelation kinetics induced by increased reaction temperature and the specific function of sodium hypophosphite, the formation of hydrogels can be completed within 4 h. As a result, owing to their unique porous structure and favorable geometric and electronic effects, the optimized PdPb@Pd aerogels exhibit enhanced electrochemical performance towardsmore » ethylene glycol oxidation with a mass activity of 5.8 times higher than Pd black.« less

Structures and standard molar enthalpies of formation of a series of Ln(III)–Cu(II) heteronuclear compounds with pyrazine-2,3-dicarboxylic acid

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

Yang, Qi; Xie, Gang; Wei, Qing

2014-07-01

Fifteen lanthanide–copper heteronuclear compounds, formulated as [CuLn{sub 2}(pzdc){sub 4}(H{sub 2}O){sub 6}]·xH{sub 2}O (1–6(x=2), 8(x=3), 9–10(x=4)); [CuLn{sub 2}(pzdc){sub 4}(H{sub 2}O){sub 4}]·xH{sub 2}O (7, 12–13, 15(x=4), 14(x=5), 11(x=8)) (Ln(III)=La(1); Ce(2); Pr(3); Nd(4); Sm(5); Eu(6); Gd(7); Tb(8); Dy(9); Ho(10); Er(11); Tm(12); Yb(13); Lu(14); Y(15); H{sub 2}pzdc (C{sub 6}H{sub 4}N{sub 2}O{sub 4})=pyrazine-2,3-dicarboxylic acid) have been hydrothermally synthesized. All compounds were characterized by element analysis, IR spectroscopy, single-crystal X-ray diffraction and thermal analysis. X-ray diffraction analyses confirm that all compounds are isostructural and feature a 3D brick-like framework structure with (4.6{sup 2}){sub 2}(4{sup 2}.6{sup 2}.8{sup 2})(6{sup 3}){sup 2}(6{sup 5}.8){sub 2} topology. Using 1 mol cm{supmore » −3} HCl(aq) as calorimetric solvent, with an isoperibol solution–reaction calorimeter, the standard molar enthalpies of formation of all compounds were determined by a designed thermochemical cycle. In addition, solid state luminescence properties of compounds 5, 6, 8 and 9 were studied in the solid state. - Graphical abstract: According to Hess' rule, the standard molar enthalpies of formation of Ln–Cu heterometallic coordination compounds were determined by a designed thermochemical cycle. - Highlights: • Fifteen lanthanide–copper heteronuclear isostructural compounds. • Structurally characterization by IR, X-ray diffraction and thermal analysis. • The standard molar enthalpy of formation. • Isoperibol solution–reaction calorimetry.« less

Interface-related deformation phenomena in intermetallic γ-titanium aluminides

NASA Astrophysics Data System (ADS)

Appel, F.; Wagner, R.

1993-01-01

The development of titanium aluminides towards higher ductility concentrates on Ti-rich alloys which are composed of the intermetallic phases γ(TiAl) and α2(Ti3Al). The two phases form a lamellar microstructure with various types of interfaces. The deformation behaviour of these materials was investigated by compression tests, which were performed for different orientations of the interfacial boundaries with respect to the sample axis. With regard to the mechanical properties the structure of the interfaces and the micromechanisms of deformation were studied by conventional and high resolution electron microscopy. Accordingly, the interfacial boundaries impede the propagation of slip across the lamellae, leading to an athermal contribution to the flow stress.

Quaternary borocarbides: New class of intermetallic superconductors

NASA Technical Reports Server (NTRS)

Nagarajan, R.; Gupta, L. C.; Dhar, S. K.; Mazumdar, Chandan; Hossain, Zakir; Godart, C.; Levy-Clement, C.; Padalia, B. D.; Vijayaraghavan, R.

1995-01-01

Our recent discovery of superconductivity (SC) in the four-element multiphase Y-Ni-B-C system at an elevated temperature (TC approximately 12 K) has opened up great possibilities of identifying new superconducting materials and generating new physics. Superconductivity with Tc (greater than 20 K) higher than that known so far in bulk intermetallics has been observed in multiphase Y-Pd-B-C and Th-Pd-B-C systems and a family of single phase materials RENi2B2C (RE= Y, rare earth) have been found. Our investigations show YNi2B2C to be a strong coupling hard type-II SC. HC2(T) exhibits an unconventional temperature dependence. Specific heat and magnetization studies reveal coexistence of SC and magnetism in RNi2B2C (R = Ho, Er, Tm) with magnetic ordering temperatures (Tc approximately 8 K, 10.5 K, 11 K and Tm approximately 5 K, approximately 7K, approximately 4 K respectively) that are remarkably higher than those in known magnetic superconductors . Mu-SR studies suggest the possibility of Ni atoms carrying a moment in TmNi2B2C. Resistivity results suggests a double re-entrant transition (SC-normal-SC) in HoNi2B2C. RENi2B2C (RE = Ce, Nd, Gd) do not show SC down to 4.2 K. The Nd- and Gd-compounds order magnetically at approximately 4.5 K and approximately 19.5 K, respectively. Two SC transitions are observed in Y-Pd-B-C (Tc approximately 22 K, approximately 10 K) and in Th-Pd-B-C (Tc approximately 20 K, approximately 14 K) systems, which indicate that there are at least two structures which support SC in these borocarbides. In our multiphase ThNi2B2C we observe SC at approximately 6 K. No SC was seen in multiphase UNi2B2C, UPd2B2C, UOs2Ge2C and UPd5B3C(0.35) down to 4.2 K. Tc in YNi2B2C is depressed by substitutions (Gd, Th and U at Y-sites and Fe, Co at Ni-sites).

Synthesis of Xenon and Iron-Nickel Intermetallic Compounds at Earth’s Core Thermodynamic Conditions

DOE PAGES

Stavrou, Elissaios; Yao, Yansun; Goncharov, Alexander F.; ...

2018-02-28

In this study, using in situ synchrotron x-ray diffraction and Raman spectroscopy in concert with first principles calculations we demonstrate the synthesis of stable Xe(Fe ,Fe/Ni) 3 and XeNi 3 compounds at thermodynamic conditions representative of Earth’s core. Surprisingly, in the case of both the Xe-Fe and Xe-Ni systems Fe and Ni become highly electronegative and can act as oxidants. In conclusion, the results indicate the changing chemical properties of elements under extreme conditions by documenting that electropositive at ambient pressure elements could gain electrons and form anions.

Formation Of Nano Layered Lamellar Structure In a Processed γ-TiAl Based Alloy

NASA Astrophysics Data System (ADS)

Heshmati-Manesh, S.; Shakoorian, H.; Armaki, H. Ghassemi; Ahmadabadi, M. Nili

2009-06-01

In this research, microstructures of an intermetallic alloy based on γ-TiAl has been investigated by optical and transmission electron microscopy. Samples of Ti-47Al-2Cr alloy were subjected to either a cyclic heat treatment or thermomechanical treatment with the aim of microstructural refinement. In both cases it was found that very fine lamellar structure with an interlamellar spacing in the nano scale is formed. Upon cyclic heat treatment, nano layers of α2 and γ ordered intermetallic phases were either formed during rapid cooling cycle in competition with massive structure formation, or formed as secondary lamellar structure during final stages of cyclic heat treatment. Also, TEM observations in hot forged specimens with initial lamellar structure revealed that micro twins form during the deformation within lamellar structure with twinning plates parallel to lamellar interfaces. Concurrent dynamic recrystallisation results in a nano layered structure with an interlamellar spacing of less than 100 nm.

Natural abiotic formation of oxalic acid in soils: results from aromatic model compounds and soil samples.

PubMed

Studenroth, Sabine; Huber, Stefan G; Kotte, Karsten; Schöler, Heinz F

2013-02-05

Oxalic acid is the smallest dicarboxylic acid and plays an important role in soil processes (e.g., mineral weathering and metal detoxification in plants). We have first proven its abiotic formation in soils and investigated natural abiotic degradation processes based on the oxidation of soil organic matter, enhanced by Fe(3+) and H(2)O(2) as hydroxyl radical suppliers. Experiments with the model compound catechol and further hydroxylated benzenes were performed to examine a common degradation pathway and to presume a general formation mechanism of oxalic acid. Two soil samples were tested for the release of oxalic acid and the potential effects of various soil parameters on oxalic acid formation. Additionally, the soil samples were treated with different soil sterilization methods to prove the oxalic acid formation under abiotic soil conditions. Different series of model experiments were conducted to determine a range of factors including Fe(3+), H(2)O(2), reaction time, pH, and chloride concentration on oxalic acid formation. Under certain conditions, catechol is degraded up to 65.6% to oxalic acid referring to carbon. In serial experiments with two soil samples, oxalic acid was produced, and the obtained results are suggestive of an abiotic degradation process. In conclusion, Fenton-like conditions with low Fe(3+) concentrations and an excess of H(2)O(2) as well as acidic conditions were required for an optimal oxalic acid formation. The presence of chloride reduced oxalic acid formation.

Intermetallic compounds of the heaviest elements and their homologs: the electronic structure and bonding of MM', where M=Ge, Sn, Pb, and element 114, and M'=Ni, Pd, Pt, Cu, Ag, Au, Sn, Pb, and element 114.

PubMed

Pershina, V; Anton, J; Fricke, B

2007-10-07

Fully relativistic (four-component) density-functional theory calculations were performed for intermetallic dimers MM', where M=Ge, Sn, Pb, and element 114, and MM'=group 10 elements (Ni, Pd, and Pt) and group 11 elements (Cu, Ag, and Au). PbM and 114M, where M are group 14 elements, were also considered. The results have shown that trends in spectroscopic properties-atomization energies D(e), vibrational frequencies omega(e), and bond lengths R(e), as a function of MM', are similar for compounds of Ge, Sn, Pb, and element 114, except for D(e) of PbNi and 114Ni. They were shown to be determined by trends in the energies and space distribution of the valence ns(MM')atomic orbitals (AOs). According to the results, element 114 should form the weakest bonding with Ni and Ag, while the strongest with Pt due to the largest involvement of the 5d(Pt) AOs. In turn, trends in the spectroscopic properties of MM' as a function of M were shown to be determined by the behavior of the np(1/2)(M) AOs. Overall, D(e) of the element 114 dimers are about 1 eV smaller and R(e) are about 0.2 a.u. larger than those of the corresponding Pb compounds. Such a decrease in bonding of the element 114 dimers is caused by the large SO splitting of the 7p orbitals and a decreasing contribution of the relativistically stabilized 7p(1/2)(114) AO. On the basis of the calculated D(e) for the dimers, adsorption enthalpies of element 114 on the corresponding metal surfaces were estimated: They were shown to be about 100-150 kJ/mol smaller than those of Pb.

Formation Dynamics of Potassium-Based Graphite Intercalation Compounds: An Ab Initio Study

NASA Astrophysics Data System (ADS)

Jiang, Xiankai; Song, Bo; Tománek, David

2018-04-01

This paper is a contribution to the Physical Review Applied collection in memory of Mildred S. Dresselhaus. We use ab initio molecular dynamics simulations to study the microscopic dynamics of potassium intercalation in graphite. Upon adsorbing on graphite from the vapor phase, K atoms transfer their valence charge to the substrate. K atoms adsorbed on the surface diffuse rapidly along the graphene basal plane and eventually enter the interlayer region following a "U -turn" across the edge, gaining additional energy. This process is promoted at higher coverages associated with higher K pressure, leading to the formation of a stable intercalation compound. We find that the functionalization of graphene edges is an essential prerequisite for intercalation since bare edges reconstruct and reconnect, closing off the entry channels for the atoms.

Tentative characterization of precursor compounds and co-factors of pigment formation in production of 'wu mi' from Vaccinium bracteatum Thunb. Leaves.

PubMed

Fan, Mingcong; Fan, Yihui; Huang, Weiping; Wang, Li; Li, Yan; Qian, Haifeng; Zhang, Hui; Qi, Xiguang

2018-10-01

Vaccinium bracteatum leaves (VBTL) are traditionally used in China to dye rice grains, which assume a deep blue color, named 'Wu mi'. Information on the mechanism of pigment formation is limited. In this study, CIELAB color space parameters were used to represent the color of 'Wu mi'. Precursor compounds of pigments formed during the dyeing process were identified by UPLC Q-TOF MS analysis. The changes in co-factors for pigment formation in VBTL were measured at different growth stages. The L ∗ and b ∗ values of dyed rice increased as the leaves aged, whereas a ∗ values showed irregular changes. Six compounds were tentatively identified as pigment precursors by UPLC Q-TOF MS analysis. The pH and β-glucosidase activity at different growth stages of VBTL were indicated to be crucial co-factors for pigment formation. A tentative hypothesis is presented that iridoid glycosides are hydrolyzed by acids and β-glucosidases to form a dialdehyde structure that binds covalently with amino residues of lysine side chains in rice protein molecules. Copyright © 2018 Elsevier Ltd. All rights reserved.

Science and Technology of Nanostructured Magnetic Materials

DTIC Science & Technology

1990-07-06

galvano-magnetic and magneto-optic effects that can lead to future storage technologies. Ultrafine particles also show interesting and unique properties...areas including thin films, multilayers, disordered systems, ultrafine particles , intermetallic compounds, permanent magnets and magnetic imaging... ultrafine particles , intermetallic compounds, permanent magnets and magnetic imaging techniques. The development of new techniques for materials preparation

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

Basak, Sushovan, E-mail: sushovanbasak@gmail.com; Das, Hrishikesh, E-mail: hrishichem@gmail.com; Pal, Tapan Kumar, E-mail: tkpal.ju@gmail.com

In order to meet the demand for lighter and more fuel efficient vehicles, a significant attempt is currently being focused toward the substitution of aluminum for steel in the car body structure. It generates vital challenge with respect to the methods of joining to be used for fabrication. However, the conventional fusion joining has its own difficulty owing to formation of the brittle intermetallic phases. In this present study AA6061-T6 of 2 mm and HIF-GA steel sheet of 1 mm thick are metal inert gas (MIG) brazed with 0.8 mm Al–5Si filler wire under three different heat inputs. The effectmore » of the heat inputs on bead geometry, microstructure and joint properties of MIG brazed Al-steel joints were exclusively studied and characterized by X-ray diffraction, field emission scanning electron microscopy (FESEM), electron probe micro analyzer (EPMA) and high resolution transmission electron microscopy (HRTEM) assisted X-ray spectroscopy (EDS) and selective area diffraction pattern. Finally microstructures were correlated with the performance of the joint. Diffusion induced intermetallic thickness measured by FESEM image and concentration profile agreed well with the numerically calculated one. HRTEM assisted EDS study was used to identify the large size FeAl{sub 3} and small size Fe{sub 2}Al{sub 5} type intermetallic compounds at the interface. The growth of these two phases in A2 (heat input: 182 J mm{sup −1}) is attributed to the slower cooling rate with higher diffusion time (~ 61 s) along the interface in comparison to the same for A1 (heat input: 155 J mm{sup −1}) with faster cooling rate and shorter diffusion time (~ 24 s). The joint efficiency as high as 65% of steel base metal is achieved for A2 which is the optimized parameter in the present study. - Highlights: • AA 6061 and HIF-GA could be successfully joined by MIG brazing. • Intermetallics are exclusively studied and characterized by XRD, FESEM and EPMA. • Intermetallic formation by

Enhancing Friction Stir Weldability of 6061-T6 Al and AZ31B Mg Alloys Assisted by External Non-rotational Shoulder

NASA Astrophysics Data System (ADS)

Ji, Shude; Huang, Ruofei; Meng, Xiangchen; Zhang, Liguo; Huang, Yongxian

2017-05-01

In order to increase cooling rate and then reduce the amounts of intermetallic compounds, external non-rotational shoulder tool system derived from traditional tool in friction stir welding was used to join dissimilar Al and Mg alloys. In this study, based on the external non-rotational shoulder, the weldability of Al and Mg alloys was significantly improved. The non-rotational shoulder tool is propitious to make more materials into weld, increase cooling rate and then reduce material adhesion of rotational pin, obtaining sound joint with smaller flashes and smooth surface. Importantly, the thickness of intermetallic compounds layer is reduced compared with traditional tool. Meanwhile, hardness values of dissimilar joint present uneven distribution, resulting from complex intercalated structures in nugget zone (NZ) featured by intermetallic compound layers and fine recrystallized Mg and Al grains. Compared with traditional tool, non-rotational shoulder is beneficial to higher tensile properties of joint. Due to the intermetallic compound layer formed in the interface of Al-Mg, the welding joint easily fractures at the NZ, presenting the typical brittle fracture mode.

The oxidation of Ni-rich Ni-Al intermetallics

NASA Technical Reports Server (NTRS)

Doychak, Joseph; Smialek, James L.; Barrett, Charles A.

1988-01-01

The oxidation of Ni-Al intermetallic alloys in the beta-NiAl phase field and in the two phase beta-NiAl/gamma'-Ni3Al phase field has been studied between 1000 and 1400 C. The stoichiometric beta-NiAl alloy doped with Zr was superior to other alloy compositions under cyclic and isothermal oxidation. The isothermal growth rates did not increase monotonically as the alloy Al content was decreased. The characteristically ridged alpha-Al2O3 scale morphology, consisting of cells of thin, textured oxide with thick growth ridges at cell boundaries, forms on oxidized beta-NiAl alloys. The correlation of scale features with isothermal growth rates indicates a predominant grain boundary diffusion growth mechanism. The 1200 C cyclic oxidation resistance decreases near the lower end of the beta-NiAl phase field.

Electronic response of rare-earth magnetic-refrigeration compounds GdX2 (X = Fe and Co)

NASA Astrophysics Data System (ADS)

Bhatt, Samir; Ahuja, Ushma; Kumar, Kishor; Heda, N. L.

2018-05-01

We present the Compton profiles (CPs) of rare-earth-transition metal compounds GdX2 (X = Fe and Co) using 740 GBq 137Cs Compton spectrometer. To compare the experimental momentum densities, we have also computed the CPs, electronic band structure, density of states (DOS) and Mulliken population (MP) using linear combination of atomic orbitals (LCAO) method. Local density and generalized gradient approximations within density functional theory (DFT) along with the hybridization of Hartree-Fock and DFT (B3LYP and PBE0) have been considered under the framework of LCAO scheme. It is seen that the LCAO-B3LYP based momentum densities give a better agreement with the experimental data for both the compounds. The energy bands and DOS for both the spin-up and spin-down states show metallic like character of the reported intermetallic compounds. The localization of 3d electrons of Co and Fe has also been discussed in terms of equally normalized CPs and MP data. Discussion on magnetization using LCAO method is also included.

Environmental exposure to preformed nitroso compounds.

PubMed

Tricker, A R; Spiegelhalder, B; Preussmann, R

1989-01-01

In the human environment, nitrosatable amine precursors to N-nitroso compounds and nitrosating species such as nitrite and oxides of nitrogen are abundant. As a result, the formation of N-nitroso compounds and human exposure to these compounds show a rather complex pattern. The largest known human exposures to exogenous N-nitrosamines occur in the work place. This is particularly evident in the rubber and tyre manufacturing industry and in metal cutting and grinding shops. Nearly all industries which are concerned with the production and/or use of amines have a related nitrosamine problem. Outside the industrial environment, commodities such as cosmetics, pharmaceuticals, rubber and household products, which are either prepared from amines or contain high concentrations of amino compounds, may be subject to contamination by low concentrations of N-nitroso compounds. This contamination may result from the use of contaminated starting materials, in particular amines, or from the formation of N-nitroso compounds during manufacturing processes. A similar problem exists with agricultural chemicals. As our knowledge of the occurrence and formation of N-nitroso compounds in the environment increases, preventive measures can be introduced, particularly in manufacturing industries, to reduce the levels of human exposure to nitrosamines in the work place and to protect the consumer from nitrosamine exposure from household commodities.

Effect of Mn and AlTiB Addition and Heattreatment on the Microstructures and Mechanical Properties of Al-Si-Fe-Cu-Zr Alloy.

PubMed

Yoo, Hyo-Sang; Kim, Yong-Ho; Lee, Seong-Hee; Son, Hyeon-Taek

2018-09-01

The microstructure and mechanical properties of as-extruded Al-0.1 wt%Si-0.2 wt%Fe- 0.4 wt%Cu-0.04 wt%Zr-xMn-xAlTiB (x = 1.0 wt%) alloys under various annealing processes were investigated and compared. After the as-cast billets were kept at 400 °C for 1 hr, hot extrusion was carried out with a reduction ratio of 38:1. In the case of the as-extruded Al-Si-Fe-Cu-Zr alloy at annealed at 620 °C, large equiaxed grain was observed. When the Mn content is 1.0 wt%, the phase exhibits a skeleton morphology, the phase formation in which Mn participated. Also, the volume fraction of the intermetallic compounds increased with Mn and AlTiB addition. For the Al-0.1Si-0.2Fe-0.4Cu-0.04Zr alloy with Mn and AlTiB addition from 1.0 wt%, the ultimate tensile strength increased from 100.47 to 119.41 to 110.49 MPa. The tensile strength of the as-extruded alloys improved with the addition of Mn and AlTiB due to the formation of Mn and AlTiB-containing intermetallic compounds.

OsBT1 encodes an ADP-glucose transporter involved in starch synthesis and compound granule formation in rice endosperm

PubMed Central

Li, Sanfeng; Wei, Xiangjin; Ren, Yulong; Qiu, Jiehua; Jiao, Guiai; Guo, Xiuping; Tang, Shaoqing; Wan, Jianmin; Hu, Peisong

2017-01-01

Starch is the main storage carbohydrate in higher plants. Although several enzymes and regulators for starch biosynthesis have been characterized, a complete regulatory network for starch synthesis in cereal seeds remains elusive. Here, we report the identification and characterization of the rice Brittle1 (OsBT1) gene, which is expressed specifically in the developing endosperm. The osbt1 mutant showed a white-core endosperm and a significantly lower grain weight than the wild-type. The formation and development of compound starch granules in osbt1 was obviously defective: the amyloplast was disintegrated at early developmental stages and the starch granules were disperse and not compound in the endosperm cells in the centre region of osbt1 seeds. The total starch content and amylose content was decreased and the physicochemical properties of starch were altered. Moreover, the degree of polymerization (DP) of amylopectin in osbt1 was remarkably different from that of wild-type. Map-based cloning of OsBT1 indicated that it encodes a putatively ADP-glucose transporter. OsBT1 coded protein localizes in the amyloplast envelope membrane. Furthermore, the expression of starch synthesis related genes was also altered in the osbt1 mutant. These findings indicate that OsBT1 plays an important role in starch synthesis and the formation of compound starch granules. PMID:28054650

Defect structures in ordered intermetallics; grain boundaries and surfaces in FeAl, NiAl, CoAl and TiAl

NASA Astrophysics Data System (ADS)

Mutasa, Batsirai Manyara

Ordered intermetallics based on transition metal aluminides have been proposed as structural materials for advanced aerospace applications. The development of these materials, which have the advantages of low density and high operating temperatures, have been focused on the aluminides of titanium, nickel and iron. Though these materials exhibit attractive properties at elevated temperatures, their utilization is limited due to their propensity for low temperature fracture and susceptibility to decreased ductility due to environmental effects. A major embrittlement mechanism at ambient temperatures in these aluminides has been by the loss of cohesive strength at the interfaces (intergranular failure). This study focuses on this mechanism of failure, by undertaking a systematic study of the energies and structures of specific grain boundaries in some of these compounds. The relaxed atomistic grain boundary structures in B2 aluminides, FeAl, NiAl and CoAl and L10 gamma-TiAl were investigated using molecular statics and embedded atom potentials in order to explore general trends for a series of B2 compounds as well as TiAl. The potentials used correctly predict the proper mechanism of compositional disorder of these compounds. Using these potentials, point defects, free surface energies and various grain boundary structures of similar energies in three B2 compounds, FeAl, NiAl and CoAl were studied. These B2 alloys exhibited increasing anti-phase boundary energies respectively. The misorientations chosen for detailed study correspond to the Sigma5(310) and Sigma5(210) boundaries. These boundaries were investigated with consideration given to possible variations in the local chemical composition. The effects of both boundary stoichiometry and bulk stoichiometry on grain boundary energetics were also considered. Defect energies were calculated for boundaries contained in both stoichiometric and off-stoichiometric bulk. The surface energies for these aluminides were also

Co-Binding of Pharmaceutical Compounds at Mineral Surfaces: Molecular Investigations of Dimer Formation at Goethite/Water Interfaces.

PubMed

Xu, Jing; Marsac, Rémi; Costa, Dominique; Cheng, Wei; Wu, Feng; Boily, Jean-François; Hanna, Khalil

2017-08-01

The emergence of antibiotic and anti-inflammatory agents in aquatic and terrestrial systems is becoming a serious threat to human and animal health worldwide. Because pharmaceutical compounds rarely exist individually in nature, interactions between various compounds can have unforeseen effects on their binding to mineral surfaces. This work demonstrates this important possibility for the case of two typical antibiotic and anti-inflammatory agents (nalidixic acid (NA) and niflumic acid (NFA)) bound at goethite (α-FeOOH) used as a model mineral surface. Our multidisciplinary study, which makes use of batch sorption experiments, vibration spectroscopy and periodic density functional theory calculations, reveals enhanced binding of the otherwise weakly bound NFA caused by unforeseen intermolecular interactions with mineral-bound NA. This enhancement is ascribed to the formation of a NFA-NA dimer whose energetically favored formation (-0.5 eV compared to free molecules) is predominantly driven by van der Waals interactions. A parallel set of efforts also showed that no cobinding occurred with sulfamethoxazole (SMX) because of the lack of molecular interactions with coexisting contaminants. As such, this article raises the importance of recognizing drug cobinding, and lack of cobinding, for predicting and developing policies on the fate of complex mixtures of antibiotics and anti-inflammatory agents in nature.

Reliable and cost effective design of intermetallic Ni2Si nanowires and direct characterization of its mechanical properties

NASA Astrophysics Data System (ADS)

Han, Seung Zeon; Kang, Joonhee; Kim, Sung-Dae; Choi, Si-Young; Kim, Hyung Giun; Lee, Jehyun; Kim, Kwangho; Lim, Sung Hwan; Han, Byungchan

2015-10-01

We report that a single crystal Ni2Si nanowire (NW) of intermetallic compound can be reliably designed using simple three-step processes: casting a ternary Cu-Ni-Si alloy, nucleate and growth of Ni2Si NWs as embedded in the alloy matrix via designing discontinuous precipitation (DP) of Ni2Si nanoparticles and thermal aging, and finally chemical etching to decouple the Ni2Si NWs from the alloy matrix. By direct application of uniaxial tensile tests to the Ni2Si NW we characterize its mechanical properties, which were rarely reported in previous literatures. Using integrated studies of first principles density functional theory (DFT) calculations, high-resolution transmission electron microscopy (HRTEM), and energy-dispersive X-ray spectroscopy (EDX) we accurately validate the experimental measurements. Our results indicate that our simple three-step method enables to design brittle Ni2Si NW with high tensile strength of 3.0 GPa and elastic modulus of 60.6 GPa. We propose that the systematic methodology pursued in this paper significantly contributes to opening innovative processes to design various kinds of low dimensional nanomaterials leading to advancement of frontiers in nanotechnology and related industry sectors.

Reliable and cost effective design of intermetallic Ni2Si nanowires and direct characterization of its mechanical properties.

PubMed

Han, Seung Zeon; Kang, Joonhee; Kim, Sung-Dae; Choi, Si-Young; Kim, Hyung Giun; Lee, Jehyun; Kim, Kwangho; Lim, Sung Hwan; Han, Byungchan

2015-10-12

We report that a single crystal Ni2Si nanowire (NW) of intermetallic compound can be reliably designed using simple three-step processes: casting a ternary Cu-Ni-Si alloy, nucleate and growth of Ni2Si NWs as embedded in the alloy matrix via designing discontinuous precipitation (DP) of Ni2Si nanoparticles and thermal aging, and finally chemical etching to decouple the Ni2Si NWs from the alloy matrix. By direct application of uniaxial tensile tests to the Ni2Si NW we characterize its mechanical properties, which were rarely reported in previous literatures. Using integrated studies of first principles density functional theory (DFT) calculations, high-resolution transmission electron microscopy (HRTEM), and energy-dispersive X-ray spectroscopy (EDX) we accurately validate the experimental measurements. Our results indicate that our simple three-step method enables to design brittle Ni2Si NW with high tensile strength of 3.0 GPa and elastic modulus of 60.6 GPa. We propose that the systematic methodology pursued in this paper significantly contributes to opening innovative processes to design various kinds of low dimensional nanomaterials leading to advancement of frontiers in nanotechnology and related industry sectors.

Reliable and cost effective design of intermetallic Ni2Si nanowires and direct characterization of its mechanical properties

PubMed Central

Han, Seung Zeon; Kang, Joonhee; Kim, Sung-Dae; Choi, Si-Young; Kim, Hyung Giun; Lee, Jehyun; Kim, Kwangho; Lim, Sung Hwan; Han, Byungchan

2015-01-01

We report that a single crystal Ni2Si nanowire (NW) of intermetallic compound can be reliably designed using simple three-step processes: casting a ternary Cu-Ni-Si alloy, nucleate and growth of Ni2Si NWs as embedded in the alloy matrix via designing discontinuous precipitation (DP) of Ni2Si nanoparticles and thermal aging, and finally chemical etching to decouple the Ni2Si NWs from the alloy matrix. By direct application of uniaxial tensile tests to the Ni2Si NW we characterize its mechanical properties, which were rarely reported in previous literatures. Using integrated studies of first principles density functional theory (DFT) calculations, high-resolution transmission electron microscopy (HRTEM), and energy-dispersive X-ray spectroscopy (EDX) we accurately validate the experimental measurements. Our results indicate that our simple three-step method enables to design brittle Ni2Si NW with high tensile strength of 3.0 GPa and elastic modulus of 60.6 GPa. We propose that the systematic methodology pursued in this paper significantly contributes to opening innovative processes to design various kinds of low dimensional nanomaterials leading to advancement of frontiers in nanotechnology and related industry sectors. PMID:26456769

Structure and magnetism of new rare-earth-free intermetallic compounds: Fe 3+xCo 3-xTi 2 (0 ≤ x ≤ 3)

DOE PAGES

Balasubramanian, Balamurugan; Das, Bhaskar; Nguyen, Manh Cuong; ...

2016-11-28

Here, we report the fabrication of a set of new rare-earth-free magnetic compounds, which form the Fe 3Co 3Ti 2-type hexagonal structure with P-6m2 symmetry. Neutron powder diffraction shows a significant Fe/Co anti-site mixing in the Fe 3Co 3Ti 2 structure, which has a strong effect on the magnetocrystalline anisotropy as revealed by first-principle calculations. Increasing substitution of Fe atoms for Co in the Fe 3Co 3Ti 2 lattice leads to the formation of Fe 4Co 2Ti 2, Fe 5CoTi, and Fe 6Ti 2 with significantly improved permanent-magnet properties. A high magnetic anisotropy (13.0 Mergs/cm 3) and saturation magnetic polarizationmore » (11.4 kG) are achieved at 10 K by altering the atomic arrangements and decreasing Fe/Co occupancy disorder.« less

Influence of Filler Alloy Composition and Process Parameters on the Intermetallic Layer Thickness in Single-Sided Cold Metal Transfer Welding of Aluminum-Steel Blanks

NASA Astrophysics Data System (ADS)

Silvayeh, Zahra; Vallant, Rudolf; Sommitsch, Christof; Götzinger, Bruno; Karner, Werner; Hartmann, Matthias

2017-11-01

Hybrid components made of aluminum alloys and high-strength steels are typically used in automotive lightweight applications. Dissimilar joining of these materials is quite challenging; however, it is mandatory in order to produce multimaterial car body structures. Since especially welding of tailored blanks is of utmost interest, single-sided Cold Metal Transfer butt welding of thin sheets of aluminum alloy EN AW 6014 T4 and galvanized dual-phase steel HCT 450 X + ZE 75/75 was experimentally investigated in this study. The influence of different filler alloy compositions and welding process parameters on the thickness of the intermetallic layer, which forms between the weld seam and the steel sheet, was studied. The microstructures of the weld seam and of the intermetallic layer were characterized using conventional optical light microscopy and scanning electron microscopy. The results reveal that increasing the heat input and decreasing the cooling intensity tend to increase the layer thickness. The silicon content of the filler alloy has the strongest influence on the thickness of the intermetallic layer, whereas the magnesium and scandium contents of the filler alloy influence the cracking tendency. The layer thickness is not uniform and shows spatial variations along the bonding interface. The thinnest intermetallic layer (mean thickness < 4 µm) is obtained using the silicon-rich filler Al-3Si-1Mn, but the layer is more than twice as thick when different low-silicon fillers are used.

Aromatic volatile organic compounds and their role in ground-level ozone formation in Russia

NASA Astrophysics Data System (ADS)

Berezina, E. V.; Moiseenko, K. B.; Skorokhod, A. I.; Elansky, N. F.; Belikov, I. B.

2017-05-01

This paper reports proton mass spectrometry data on aromatic volatile organic compounds (VOCs) (benzene, toluene, phenol, styrene, xylene, and propylbenzene) obtained in different Russian regions along the Trans-Siberian Railway from Moscow to Vladivostok, based on expedition data retrieved using the TRO-ICA-12 mobile laboratory in the summer of 2008. The contribution of aromatic VOCs to ozone formation in the cities and regions along the measurement route has been estimated quantitatively. The greatest contribution of aromatic VOCs to ozone formation is characteristic of large cities along the Trans-Siberian Railway (up to 7.5 ppbv O3) specified by the highest concentrations of aromatic VOCs (1-1.7 ppbv) and nitrogen oxides (>20 ppbv). The results obtained are indicative of a considerable contribution (30-50%) of anthropogenic emissions of VOCs to photochemical ozone generation in the large cities along the Trans-Siberian Railway in hot and dry weather against the background of a powerful natural factor such as isoprene emissions controlling the regional balance of ground-level ozone in warm seasons.

On the formation of molecules and solid-state compounds from the AGB to the PN phases

NASA Astrophysics Data System (ADS)

García-Hernández, D. A.; Manchado, A.

2016-07-01

During the asymptoyic giant branch (AGB) phase, different elements are dredge- up to the stellar surface depending on progenitor mass and metallicity. When the mass loss increases at the end of the AGB, a circumstellar dust shell is formed, where different (C-rich or O-rich) molecules and solid-state compounds are formed. These are further processed in the transition phase between AGB stars and planetary nebulae (PNe) to create more complex organic molecules and inorganic solid-state compounds (e.g., polycyclic aromatic hydrocarbons, fullerenes, and graphene precursors in C-rich environments and oxides and crystalline silicates in O-rich ones). We present an observational review of the different molecules and solid-state materials that are formed from the AGB to the PN phases. We focus on the formation routes of complex fullerene (and fullerene-based) molecules as well as on the level of dust processing depending on metallicity.

Unusual analyte-matrix adduct ions and mechanism of their formation in MALDI TOF MS of benzene-1,3,5-tricarboxamide and urea compounds.

PubMed

Lou, Xianwen; Fransen, Michel; Stals, Patrick J M; Mes, Tristan; Bovee, Ralf; van Dongen, Joost J L; Meijer, E W

2013-09-01

Analyte-matrix adducts are normally absent under typical matrix assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI TOF MS) conditions. Interestingly, though, in the analysis of several types of organic compounds synthesized in our laboratory, analyte-matrix adduct ion peaks were always recorded when common MALDI matrices such as 4-hydroxy-α-cyanocinnamic acid (CHCA) were used. These compounds are mainly those with a benzene-1,3,5-tricarboxamide (BTA) or urea moiety, which are important building blocks to make new functional supramolecular materials. The possible mechanism of the adduct formation was investigated. A shared feature of the compounds studied is that they can form intermolecular hydrogen bonding with matrices like CHCA. The intermolecular hydrogen bonding will make the association between analyte ions and matrix molecules stronger. As a result, the analyte ions and matrix molecules in MALDI clusters will become more difficult to be separated from each other. Furthermore, it was found that analyte ions were mainly adducted with matrix salts, which is probably due to the much lower volatility of the salts compared with that of their corresponding matrix acids. It seems that the analyte-matrix adduct formation for our compounds are caused by the incomplete evaporation of matrix molecules from the MALDI clusters because of the combined effects of enhanced intermolecular interaction between analyte-matrix and of the low volatility of matrix salts. Based on these findings, strategies to suppress the analyte-matrix adduction are briefly discussed. In return, the positive results of using these strategies support the proposed mechanism of the analyte-matrix adduct formation.

Role of pyridoxamine in the formation of the Amadori/Heyns compounds and aggregates during the glycation of beta-lactoglobulin with galactose and tagatose.

PubMed

Corzo-Martínez, Marta; Moreno, F Javier; Olano, Agustín; Villamiel, Mar

2010-01-13

The effect of pyridoxamine on the Maillard reaction during the formation of conjugates of beta-lactoglobulin with galactose and tagatose under controlled conditions (pH 7, 0.44 aw, 40 and 50 degrees C, for 6 days) has been studied, for the first time, by means of the changes in reducing carbohydrates, formation of Amadori or Heyns compounds, and aggregates and browning development. The results showed the formation of interaction products between pyridoxamine and galactose or tagatose either in the presence or in the absence of beta-lactoglobulin, indicating that pyridoxamine competes with the free amino groups of beta-lactoglobulin for the carbonyl group of both carbohydrates. Thus, a small inhibitory effect of pyridoxamine on the initial stages of the Maillard reaction was pointed out. Furthermore, much lower aggregation and color formation rates were observed in the conjugates of beta-lactoglobulin galactose/tagatose with pyridoxamine than without this compound, supporting its potent inhibitory effect on the advanced and final stages of the Maillard reaction. These findings reveal the usefulness of food-grade inhibitors of the advanced stages of the Maillard reaction, such as pyridoxamine, that, in combination with mild storage conditions, could lead to the formation of safer neoglycoconjugates without impairing their nutritional quality.

Secondary brown carbon - Formation of light-absorbing compounds in atmospheric particulates from selected dicarbonyls and amines

NASA Astrophysics Data System (ADS)

Kampf, Christopher; Filippi, Alexander; Hoffmann, Thorsten

2015-04-01

One of the main open questions regarding organic compounds in atmospheric chemistry today is related to the formation of optically-active compounds and the occurrence of so called brown carbon (Andreae and Gelencsér, 2006). While organic compounds in ambient fine particles for decades have been assumed to not absorb solar radiation, thus resulting in a net cooling effect on climate (IPCC, 2007), it is now generally accepted that a continuum of light-absorbing carbonaceous species is present in fine aerosols (Pöschl, 2003). In this study, light-absorbing compounds from reactions between dicarbonyl compounds, i.e., glyoxal, methylglyoxal, acetylacetone, 2,3-butanedione, 2,5-hexanedione, and glutaraldehyde, and amine species, i.e., ammonia and glycine, were investigated at atmospherically relevant concentrations in bulk solution experiments mimicking atmospheric particulates. Product analyses were performed using UV/Vis spectrophotometry and (ultra) high performance liquid chromatography coupled to diode array detection and ion trap mass spectrometry (HPLC-DAD-ESI-MS/MS), as well as ultra-high resolution (Orbitrap) mass spectrometry (UHPLC-ESI-HRMS/MS). We demonstrate that light-absorbing compounds are formed from a variety of atmospherically relevant dicarbonyls via particle phase reactions with amine nucleophiles. Single dicarbonyl and mixed dicarbonyl experiments were performed and products were analyzed. The reaction products are suggested to be cyclic nitrogen containing compounds such as imidazoles or dihydropyridines as well as open chain compounds resulting from aldol condensation reactions. Further, the reactive turnover was found to be higher at increasing pH values. The aforementioned processes may be of higher relevance in regions with high aerosol pH, e.g., resulting from high ammonia emissions as for example in northern India (Clarisse et al., 2009). References Andreae, M.O., and Gelencsér, A. (2006): Black carbon or brown carbon? The nature of light

Single crystal growth of Ga3Ni2 by the Czochralski method

NASA Astrophysics Data System (ADS)

Wencka, Magdalena; Pillaca, Mirtha; Gille, Peter

2016-09-01

Intermetallic compounds have proved to be interesting alternatives to heterogeneous catalysts prepared from pure noble metals or their alloys. As to study their intrinsic properties, to determine the crystalline structures of specific surfaces and finally to understand elementary processes of heterogeneous catalysis, single crystals of these intermetallics are needed. Inspired by the recent discovery of Ga-Ni catalysts for carbon dioxide reduction to methanol, we have grown for the first time cm3-size single crystals of trigonal Ga3Ni2. We report in detail on the synthesis and Czochralski growth from high-temperature solution using Ga as native solvent. Inclusion formation of Ga-rich fluid proved to be the most severe problem that was minimized by using an extremely low pulling rate down to 25 μm/h.

Deformation twinning in metals and ordered intermetallics-Ti and Ti-aluminides

NASA Astrophysics Data System (ADS)

Yoo, M. H.; Fu, C. L.; Lee, J. K.

1991-06-01

The role of deformation twinning in the strength and ductility of metals and ordered intermetallic alloys is examined on the basis of crystallography, energetics and kinetics of deformation twinning. A systematic analysis is made by taking Ti, Ti3AI, TiAl, and A13Ti as four model systems. In comparison with profuse twinning in Ti, the intrinsic difficulty of twinning in Ti3A1 is rationalized in terms of the interchange shuffling mechanism. A fault (SISF) dragging mechanism based on the interaction torque explains the physical source for the low mobility of screw superdislocations in TiAl, which may lead to (111) [ 11bar{2}] twin nucleation. In TiAl and A13Ti alloys, the twin-slip (ordinary) conjugate relationship makes an important contribution to the strain compatibility for high-temperature plasticity. Potentially beneficial alloying additions to promote twinning are discussed. Les conséquences de la déformation par maclage sur la fracture et la ductilité des métaux et alliages intermétalliques ordonnés sont étudiées en fonction de la cristallographie, de l'énergie et de la cinétique des déformations par maclage. Une analyse systématique a été faite en considérant Ti, Ti3AI, TiAl et A13Ti comme quatre systèmes modèles. En comparaison avec le nombre important de maclages observés dans Ti, la difficulté intrinsèque des maclages dans Ti3AI est rationalisée en terme de mécanisme d'“interchange shuffling”. Un mécanisme de “dragging fault” basé sur l'interaction “torque” explique l'origine physique de la faible mobilité des superdislocations vissées dans TiAl qui peuvent conduire à la nucléation des macles (111) 112. Dans les alliages tels TiAl et A13Ti, la relation conjuguée entre la macle et le glissement (ordinaire) contribue de façon importante à la compatibilité des contraintes lors de la déformation plastique à haute température. Des effets bénéfiques potentiels liés à des éléments d'addition sur le processus

Synthesis of glycoside derivatives of hydroxyanthraquinone with ability to dissolve and inhibit formation of crystals of calcium oxalate. Potential compounds in kidney stone therapy.

PubMed

Frackowiak, Anna; Skibiński, Przemysław; Gaweł, Wiesław; Zaczyńska, Ewa; Czarny, Anna; Gancarz, Roman

2010-03-01

Synthesis of glycosyl derivatives of hydroxyanthraquinones (6-10) potentially useful for kidney stone therapy is presented. These compounds were analyzed as inhibitors of calcium oxalate crystals formation as well as substances with the ability of dissolving crystalline calcium oxalate. In addition, the effect of the compounds obtained on real kidney stones was analyzed by ex vivo tests. The tests on L929 and A545 cell lines have shown that the compounds obtained were not cytotoxic. Copyright (c) 2009 Elsevier Masson SAS. All rights reserved.

Rapid Solidification of Sn-Cu-Al Alloys for High-Reliability, Lead-Free Solder: Part II. Intermetallic Coarsening Behavior of Rapidly Solidified Solders After Multiple Reflows

NASA Astrophysics Data System (ADS)