Icosahedral quasicrystals as twins of cubic crystals containing large icosahedral clusters of atoms: The 1012-atom primitive cubic structure of Al6CuLi3, the C-phase Al37Cu3Li21Mg3, and GaMg2Zn3

PubMed Central

Pauling, Linus

1988-01-01

Single-grain precession x-ray diffraction photographs of Al6CuLi3 have been successfully indexed on the basis of icosahedral twinning of cubic crystals with a 1012-atom primitive cubic unit with edge 25.70 Å, giving support to the proposal that the so-called icosahedral quasicrystals are twins of crystals containing eight large icosahedral clusters in the β-W arrangement. In this compound two of the clusters consist of 104 atoms and six consist of 136 atoms, with 24 atoms shared. The same structure is assigned to the C-phase, Al37Cu3Li21Mg3, and to GaMg2Zn3. A theory of icosahedral quasicrystals and amorphous metals is described. PMID:16593929

Three-dimensional silicon inverse photonic quasicrystals for infrared wavelengths.

PubMed

Ledermann, Alexandra; Cademartiri, Ludovico; Hermatschweiler, Martin; Toninelli, Costanza; Ozin, Geoffrey A; Wiersma, Diederik S; Wegener, Martin; von Freymann, Georg

2006-12-01

Quasicrystals are a class of lattices characterized by a lack of translational symmetry. Nevertheless, the points of the lattice are deterministically arranged, obeying rotational symmetry. Thus, we expect properties that are different from both crystals and glasses. Indeed, naturally occurring electronic quasicrystals (for example, AlPdMn metal alloys) show peculiar electronic, vibrational and physico-chemical properties. Regarding artificial quasicrystals for electromagnetic waves, three-dimensional (3D) structures have recently been realized at GHz frequencies and 2D structures have been reported for the near-infrared region. Here, we report on the first fabrication and characterization of 3D quasicrystals for infrared frequencies. Using direct laser writing combined with a silicon inversion procedure, we achieve high-quality silicon inverse icosahedral structures. Both polymeric and silicon quasicrystals are characterized by means of electron microscopy and visible-light Laue diffraction. The diffraction patterns of structures with a local five-fold real-space symmetry axis reveal a ten-fold symmetry as required by theory for 3D structures.

Quasicrystals at extreme conditions: The role of pressure in stabilizing icosahedral Al 63Cu 24Fe 13 at high temperature

DOE PAGES

Stagno, Vincenzo; Bindi, Luca; Park, Changyong; ...

2015-11-20

Icosahedrite, the first natural quasicrystal with composition Al 63Cu 24Fe 13, was discovered in several grains of the Khatyrka meteorite, a unique CV3 carbonaceous chondrite. The presence in the meteorite fragments of icosahedrite strictly associated with high-pressure phases like ahrensite and stishovite indicates a formation conditions at high pressures and temperatures, likely during an impact-induced shock occurred in contact with the reducing solar nebula gas. In contrast, previous experimental studies on the stability of synthetic icosahedral AlCuFe, which were limited to ambient pressure, indicated incongruent melting at ~1123 K, while high-pressure experiments carried out at room temperature showed structural stabilitymore » up to about 35 GPa. These data are insufficient to experimentally constrain the formation and stability of icosahedrite under extreme conditions. Here we present the results of in situ high pressure experiments using diamond anvil cells of the compressional behavior of synthetic icosahedrite up to ~50 GPa at room temperature. Simultaneous high P-T experiments have been also carried out using both laser-heated diamond anvil cells combined with in situ synchrotron X-ray diffraction (at ~42 GPa) and multi-anvil apparatus (at 21 GPa) to investigate the structural evolution of icosahedral Al 63Cu 24Fe 13 and crystallization of possible coexisting phases. The results demonstrate that the quasiperiodic symmetry of icosahedrite is retained over the entire experimental pressure range explored. In addition, we show that pressure acts to stabilize the icosahedral symmetry at temperatures much higher than previously reported. Based on our experimental study, direct crystallization of Al-Cu-Fe quasicrystals from an unusual Al-Cu-rich melt would be possible but limited to a narrow temperature range beyond which crystalline phases would form, like those observed in the Khatyrka meteorite. Here, an alternative mechanism would consist in late

Diffuse Scattering in the Icosahedral AL-Li-Cu Quasicrystal

NASA Astrophysics Data System (ADS)

Proult, A.; Donnadieu, P.; Wang, K.; Garoche, P.

1995-12-01

Electron diffraction patterns of icosahedral quasicrystals frequently exhibit diffuse scattering features. We report a detailed analysis of diffuse scattering in Al{6}Li{3}Cu (T2) quasicrystalline samples. The samples have been specifically heat-treated which allows to observe pronounced diffuse effects. Diffuse streaks are observed along the 5-fold and 2-fold symmetry axes and are elongated perpendicularly to these directions. These streaks are due to discs in the 3-dimensional reciprocal space. The diffuse disc positions are only indexable in the 6-dimensional hyperspace but the disc intensities do not agree with the ones predicted by the Cut-and-Project method. The diffuse discs we observed seem to be related to an original quasicrystalline phenomenon overlapping with the icosahedral phase. Les diagrammes de diffraction électronique des quasicristaux icosaédriques présentent fréquemment des diffusions diffuses. Nous les analysons ici en détails sur des échantillons de phase quasicristalline Al{6}Li{3}Cu (T2) traités thermiquement dans lesquels les diffusions diffuses sont trés prononcées. Les intensités diffuses forment des batônnets centrés sur des positions appartenant aux rangées réciproques d'ordre 5 et d'ordre 2 et allongés perpendiculairement à ces directions. On montre qu'il s'agit en fait de disques diffus. dans le réseau réciproque à 3 dimensions, dont les positions ne peuvent s'indexer que sur le réseau à 6 dimensions. Toutefois, les intensités ne correspondent pas à celle prédites par l'algorithme de Coupe-et-Projection. Les disques de diffusion diffuse semblent relever d'une organisation quasicristalline originale se superposant à la phase icosaédrique.

Atomic structure of a decagonal Al-Pd-Mn phase

NASA Astrophysics Data System (ADS)

Mihalkovič, Marek; Roth, Johannes; Trebin, Hans-Rainer

2017-12-01

We present a detailed structure solution for the 16 -Å decagonal quasicrystal in the Al-Pd-Mn system by means of cluster decoration and ab initio energy minimization. It is based on structure models of the ɛ and other approximant phases. The ɛ phases can be represented as subsets of a hexagon-boat-star (HBS) tiling. The decagonal phase comprises further HBS tiles. We have constructed several fictitious HBS approximants and optimized their structures individually. All tiles are decorated by two types of atomic clusters: the pseudo-Mackay icosahedron (PMI) and the large bicapped pentagonal prism (LBPP). It turns out that, whereas the PMI clusters can be kept essentially unchanged, the LBPP clusters must be adjusted in occupancy with Al atoms depending on their positions in the various tiles. In this way we obtain cluster decorations for all tiles of the decagonal quasicrystal. The calculations were confirmed by evaluation of an effective tile Hamiltonian.

About the atomic structures of icosahedral quasicrystals

NASA Astrophysics Data System (ADS)

Quiquandon, Marianne; Gratias, Denis

2014-01-01

This paper is a survey of the crystallographic methods that have been developed these last twenty five years to decipher the atomic structures of the icosahedral stable quasicrystals since their discovery in 1982 by D. Shechtman. After a brief recall of the notion of quasiperiodicity and the natural description of Z-modules in 3-dim as projection of regular lattices in N>3-dim spaces, we give the basic geometrical ingredients useful to describe icosahedral quasicrystals as irrational 3-dim cuts of ordinary crystals in 6-dim space. Atoms are described by atomic surfaces (ASs) that are bounded volumes in the internal (or perpendicular) 3-dim space and the intersections of which with the physical space are the actual atomic positions. The main part of the paper is devoted to finding the major properties of quasicrystalline icosahedral structures. As experimentally demonstrated, they can be described with a surprisingly few high symmetry ASs located at high symmetry special points in 6-dim space. The atomic structures are best described by aggregations and intersections of high symmetry compact interpenetrating atomic clusters. We show here that the experimentally relevant clusters are derived from one generic cluster made of two concentric triacontahedra scaled by τ and an external icosidodecahedron. Depending on which ones of the orbits of this cluster are eventually occupied by atoms, the actual atomic clusters are of type Bergman, Mackay, Tsai and others….

The deviations of the Al6Li3Cu quasicrystal from icosahedral symmetry : a reminiscence of a cubic crystal

NASA Astrophysics Data System (ADS)

Donnadieu, Patricia

1994-05-01

The (Al6Li3Cu) (T2) quasicrystals are known to exhibit large deviations from the icosahedral symmetry. Series of electron diffraction patterns are used to investigate these imperfections in as-cast T, samples. A detailed analysis of the 5-fold and 3-fold symmetry diffraction patterns shows that they are compatible with the m3 point group instead of the m35 icosahedral group. This symmetry reduction is interprétéd as reminiscent of the cubic approximant phase (R-Al5Li3Cu) rather than of higher order approximant phases. This interpretation is supported by previous observations on crystal/quasicrystal phase transformation in the AlLiCu system. Les quasicristaux de phase T2(Al6Li3Cu) montrent d'importantes déviations à la symétrie icosaédrique. Ces imperfections sont mises en évidence par diffraction électronique dans des échantillons de phase T2 brut de coulée. Un examen détaillé des diagrammes de diffraction de symétrie d'ordre 3 et 5 révèle qu'ils sont compatibles avec le groupe ponctuel m3 au lieu du groupe de l'icosaèdre (m35). Cette réduction de symétrie est interprétée comme une réminiscence de la phase cubique approximante (R-Al5Li3Cu) et non l'apparition d'approximant d'ordre plus élevé. Cette interprétation est suggérée par des observations antérieures sur la transformation cristal/quasicristal dans le système AlLiCu.

Influence of leaching on surface composition, microstructure, and valence band of single grain icosahedral Al-Cu-Fe quasicrystal

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

Lowe, M.; McGrath, R.; Sharma, H. R.

The use of quasicrystals as precursors to catalysts for the steam reforming of methanol is potentially one of the most important applications of these new materials. To develop application as a technology requires a detailed understanding of the microscopic behavior of the catalyst. Here, we report the effect of leaching treatments on the surface microstructure, chemical composition, and valence band of the icosahedral (i-) Al-Cu-Fe quasicrystal in an attempt to prepare a model catalyst. The high symmetry fivefold surface of a single grain i-Al-Cu-Fe quasicrystal was leached with NaOH solution for varying times, and the resulting surface was characterized bymore » x-ray photoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS), scanning electron microscopy (SEM), and atomic force microscopy (AFM). The leaching treatments preferentially remove Al producing a capping layer consisting of Fe and Cu oxides. The subsurface layer contains elemental Fe and Cu in addition to the oxides. The quasicrystalline bulk structure beneath remains unchanged. The subsurface gradually becomes Fe{sub 3}O{sub 4} rich with increasing leaching time. The surface after leaching exhibits micron sized dodecahedral cavities due to preferential leaching along the fivefold axis. Nanoparticles of the transition metals and their oxides are precipitated on the surface after leaching. The size of the nanoparticles is estimated by high resolution transmission microscopy to be 5-20 nm, which is in agreement with the AFM results. Selected area electron diffraction (SAED) confirms the crystalline nature of the nanoparticles. SAED further reveals the formation of an interface between the high atomic density lattice planes of nanoparticles and the quasicrystal. These results provide an important insight into the preparation of model catalysts of nanoparticles for steam reforming of methanol.« less

Film growth arising from the deposition of Au onto an i-Al Pd Mn quasicrystal: a medium energy ion scattering study

NASA Astrophysics Data System (ADS)

Noakes, T. C. Q.; Bailey, P.; Draxler, M.; McConville, C. F.; Ross, A. R.; Lograsso, T. A.; Leung, L.; Smerdon, J. A.; McGrath, R.

2006-06-01

The room temperature deposition of 7 ML of Au onto the fivefold symmetric surface of icosahedral Al-Pd-Mn leads to the formation of a several monolayers thick Au-Al alloy film. An AlAu film with 1:1 stoichiometry is formed, which shows no evidence of ordered structure, being either amorphous or polycrystalline. Annealing to 325 °C causes more Al to diffuse into the film, producing Al2Au but still with no indication of structure. Experiments using 0.5 ML of pre-deposited In demonstrated a surfactant effect as the In 'floated' on the surface during growth and produced a reduction in film roughness. However, contrary to previous findings the film was still either amorphous or polycrystalline, with no evidence of quasi-crystalline or aperiodic structure. Experiments were also conducted using smaller doses of Au to look for the formation of an epitaxial layer and, if formed, determine the registry with the substrate. However, no change in the Pd blocking curves for the surface could be seen, suggesting that the Au does not adsorb in well defined sites. This result is not surprising when considering that even for these low doses Al is drawn into the film, changing the composition and probably the structure of the topmost layers of the substrate, so that the potential adsorption sites on the clean surface may no longer exist.

Advances in Natural Quasicrystals and Quasicrystal Tilings

NASA Astrophysics Data System (ADS)

Lin, Chaney C.

The first part of this dissertation reports recent progress on natural quasicrystals. We present new evidence from a fragment of the quasicrystal-bearing CV3 carbonaceous chondritic meteorite Khatyrka that shows cross-cutting relationships and redox reaction between Al-Cu-bearing alloys and silicate phases. The new evidence establishes that the Al-Cu-bearing alloys (including quasicrystals) formed in outer space during a complex, multi-stage process. Some Al-bearing grains (including some quasicrystals) formed as a direct result of an impact in space a few 100 Ma. Most other Al-bearing grains (including quasicrystals) existed prior to the impact and thus formed in space at an earlier time. We also present the discovery of two new quasicrystals, including a second distinct Al-Cu-Fe icosahedral phase in Khatyrka--the first quasicrystal found in nature prior to discovery in the lab--and a synthetic Al-Fe-Cu-Cr-Ni icosahedral phase--the first quasicrystal to be synthesized in a laboratory shock experiment. In the second part of this dissertation, we explore how different local isomorphism (LI) classes of quasicrystals vary in their structural and physical properties. We examine the continuum of LI classes of pentagonal quasicrystal tilings obtained by direct projection from a five-dimensional hypercubic lattice. Our initial focus is on hyperuniformity, the suppression of long-wavelength density fluctuations relative to typical structurally disordered systems. We study how the degree of hyperuniformity depends on LI class. The results show that the degree of hyperuniformity is dominantly determined by the local distribution of vertex environments, and also exhibits a non-negligible dependence on the restorability. Among the pentagonal quasicrystal tilings, the Penrose tiling is the most hyperuniform. The difference in the degree of hyperuniformity is expected to affect physical characteristics, such as transport properties. We then turn to a study of photonic

Synthesis of an Al-Mn-Based Alloy Containing In Situ-Formed Quasicrystals and Evaluation of Its Mechanical and Corrosion Properties

NASA Astrophysics Data System (ADS)

Naglič, Iztok; Samardžija, Zoran; Delijić, Kemal; Kobe, Spomenka; Leskovar, Blaž; Markoli, Boštjan

2018-05-01

An Al-Mn alloy with additions of copper, magnesium, and silicon was prepared and cast into a copper mold. It contains in situ-formed icosahedral quasicrystals (iQCs), as confirmed by electron backscatter diffraction. The aim of this work is to present the mechanical and corrosion properties of this alloy and compare its properties with some conventional commercial materials. The compressive strength and compressive yield strength were 751 MPa and 377 MPa, while the compressive fracture strain was 19%. It was observed that intensive shearing caused the final fracture of the specimens and the fractured iQC dendrites still showed cohesion with the α-Al matrix. The polarization resistance and corrosion rate of the artificially aged alloy were 7.30 kΩ and 1.2 μm/year. The evaluated properties are comparable to conventional, discontinuously reinforced aluminum metal-matrix composites and structural wrought aluminum alloys.

Inelastic neutron scattering study of icosahedral AlFeCu quasicrystal

NASA Astrophysics Data System (ADS)

Quilichini, M.; Hennion, B.; Heger, G.; Lefebvre, S.; Quivy, A.

1992-02-01

Dynamical properties of quasiperiodic structures are rather tricky and far from being understood. For quasicrystals only little information is available both theoretically and experimentally. In this paper we present new experimental results obtained by inelastic neutron scattering on a monodomain quasicrystal of Al{63}Cu{25}Fe{12} already investigated in a previous study [1]. In section 1 we recall the basic features of the quasiperiodic structures and briefly review theoretical works on the dynamics of quasicrystals which can be of some help to appreciate the experimental data presented in section 2 and discussed in section 3. Les propriétés dynamiques des structures quasipériodiques sont complexes et pas encore complètement comprises. Pour les quasicristaux on ne possède que peu d'études dynamiques tant du point de vue théorique qu'expérimental. Dans cette lettre nous présentons des nouveaux résultats obtenus par diffusion inélastique de neutrons avec un quasicristal monodomaine de Al{63}Cu{25}Fe{12} que nous avions déjà étudié [1]. Dans la partie 1 nous rappelons quelques propriétés spécifiques des structures quasipériodiques et nous résumons brièvement les travaux théoriques qui nous permettent une interprétation qualitative des données expérimentales présentées dans la partie 2 et discutées dans la partie 3.

Additional evidence from x-ray powder diffraction patterns that icosahedral quasi-crystals of intermetallic compounds are twinned cubic crystals

PubMed Central

Pauling, Linus

1988-01-01

Analysis of the measured values of Q for the weak peaks (small maxima, usually considered to be background fluctuations, “noise”) on the x-ray powder diffraction curves for 17 rapidly quenched alloys leads directly to the conclusion that they are formed by an 820-atom or 1012-atom primitive cubic structure that by icosahedral twinning produces the so-called icosahedral quasi-crystals. PMID:16593948

Collisions in outer space produced an icosahedral phase in the Khatyrka meteorite never observed previously in the laboratory.

PubMed

Bindi, Luca; Lin, Chaney; Ma, Chi; Steinhardt, Paul J

2016-12-08

We report the first occurrence of an icosahedral quasicrystal with composition Al 62.0(8) Cu 31.2(8) Fe 6.8(4) , outside the measured equilibrium stability field at standard pressure of the previously reported Al-Cu-Fe quasicrystal (Al x Cu y Fe z , with x between 61 and 64, y between 24 and 26, z between 12 and 13%). The new icosahedral mineral formed naturally and was discovered in the Khatyrka meteorite, a recently described CV3 carbonaceous chondrite that experienced shock metamorphism, local melting (with conditions exceeding 5 GPa and 1,200 °C in some locations), and rapid cooling, all of which likely resulted from impact-induced shock in space. This is the first example of a quasicrystal composition discovered in nature prior to being synthesized in the laboratory. The new composition was found in a grain that has a separate metal assemblage containing icosahedrite (Al 63 Cu 24 Fe 13 ), currently the only other known naturally occurring mineral with icosahedral symmetry (though the latter composition had already been observed in the laboratory prior to its discovery in nature). The chemistry of both the icosahedral phases was characterized by electron microprobe, and the rotational symmetry was confirmed by means of electron backscatter diffraction.

Collisions in outer space produced an icosahedral phase in the Khatyrka meteorite never observed previously in the laboratory

PubMed Central

Bindi, Luca; Lin, Chaney; Ma, Chi; Steinhardt, Paul J.

2016-01-01

We report the first occurrence of an icosahedral quasicrystal with composition Al62.0(8)Cu31.2(8)Fe6.8(4), outside the measured equilibrium stability field at standard pressure of the previously reported Al-Cu-Fe quasicrystal (AlxCuyFez, with x between 61 and 64, y between 24 and 26, z between 12 and 13%). The new icosahedral mineral formed naturally and was discovered in the Khatyrka meteorite, a recently described CV3 carbonaceous chondrite that experienced shock metamorphism, local melting (with conditions exceeding 5 GPa and 1,200 °C in some locations), and rapid cooling, all of which likely resulted from impact-induced shock in space. This is the first example of a quasicrystal composition discovered in nature prior to being synthesized in the laboratory. The new composition was found in a grain that has a separate metal assemblage containing icosahedrite (Al63Cu24Fe13), currently the only other known naturally occurring mineral with icosahedral symmetry (though the latter composition had already been observed in the laboratory prior to its discovery in nature). The chemistry of both the icosahedral phases was characterized by electron microprobe, and the rotational symmetry was confirmed by means of electron backscatter diffraction. PMID:27929519

Shock synthesis of quasicrystals with implications for their origin in asteroid collisions.

PubMed

Asimow, Paul D; Lin, Chaney; Bindi, Luca; Ma, Chi; Tschauner, Oliver; Hollister, Lincoln S; Steinhardt, Paul J

2016-06-28

We designed a plate impact shock recovery experiment to simulate the starting materials and shock conditions associated with the only known natural quasicrystals, in the Khatyrka meteorite. At the boundaries among CuAl5, (Mg0.75Fe(2+) 0.25)2SiO4 olivine, and the stainless steel chamber walls, the recovered specimen contains numerous micron-scale grains of a quasicrystalline phase displaying face-centered icosahedral symmetry and low phason strain. The compositional range of the icosahedral phase is Al68-73Fe11-16Cu10-12Cr1-4Ni1-2 and extends toward higher Al/(Cu+Fe) and Fe/Cu ratios than those reported for natural icosahedrite or for any previously known synthetic quasicrystal in the Al-Cu-Fe system. The shock-induced synthesis demonstrated in this experiment reinforces the evidence that natural quasicrystals formed during a shock event but leaves open the question of whether this synthesis pathway is attributable to the expanded thermodynamic stability range of the quasicrystalline phase at high pressure, to a favorable kinetic pathway that exists under shock conditions, or to both thermodynamic and kinetic factors.

Shock synthesis of quasicrystals with implications for their origin in asteroid collisions

NASA Astrophysics Data System (ADS)

Asimow, Paul D.; Lin, Chaney; Bindi, Luca; Ma, Chi; Tschauner, Oliver; Hollister, Lincoln S.; Steinhardt, Paul J.

2016-06-01

We designed a plate impact shock recovery experiment to simulate the starting materials and shock conditions associated with the only known natural quasicrystals, in the Khatyrka meteorite. At the boundaries among CuAl5, (Mg0.75Fe2+0.25)2SiO4 olivine, and the stainless steel chamber walls, the recovered specimen contains numerous micron-scale grains of a quasicrystalline phase displaying face-centered icosahedral symmetry and low phason strain. The compositional range of the icosahedral phase is Al68-73Fe11-16Cu10-12Cr1-4Ni1-2 and extends toward higher Al/(Cu+Fe) and Fe/Cu ratios than those reported for natural icosahedrite or for any previously known synthetic quasicrystal in the Al-Cu-Fe system. The shock-induced synthesis demonstrated in this experiment reinforces the evidence that natural quasicrystals formed during a shock event but leaves open the question of whether this synthesis pathway is attributable to the expanded thermodynamic stability range of the quasicrystalline phase at high pressure, to a favorable kinetic pathway that exists under shock conditions, or to both thermodynamic and kinetic factors.

Shock synthesis of quasicrystals with implications for their origin in asteroid collisions

DOE PAGES

Asimow, Paul D.; Lin, Chaney; Bindi, Luca; ...

2016-06-28

Here, we designed a plate impact shock recovery experiment to simulate the starting materials and shock conditions associated with the only known natural quasicrystals, in the Khatyrka meteorite. At the boundaries among CuAl5, (Mg 0.75Fe 0.25 2+) 2SiO 4 olivine, and the stainless steel chamber walls, the recovered specimen contains numerous micron-scale grains of a quasicrystalline phase displaying face-centered icosahedral symmetry and low phason strain. The compositional range of the icosahedral phase is Al 68-73Fe 11-16Cu 10-12Cr 1-4Ni 1-2 and extends toward higher Al/(Cu+Fe) and Fe/Cu ratios than those reported for natural icosahedrite or for any previously known synthetic quasicrystalmore » in the Al-Cu-Fe system. The shock-induced synthesis demonstrated in this experiment reinforces the evidence that natural quasicrystals formed during a shock event but leaves open the question of whether this synthesis pathway is attributable to the expanded thermodynamic stability range of the quasicrystalline phase at high pressure, to a favorable kinetic pathway that exists under shock conditions, or to both thermodynamic and kinetic factors.« less

Shock synthesis of quasicrystals with implications for their origin in asteroid collisions

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

Asimow, Paul D.; Lin, Chaney; Bindi, Luca

Here, we designed a plate impact shock recovery experiment to simulate the starting materials and shock conditions associated with the only known natural quasicrystals, in the Khatyrka meteorite. At the boundaries among CuAl5, (Mg 0.75Fe 0.25 2+) 2SiO 4 olivine, and the stainless steel chamber walls, the recovered specimen contains numerous micron-scale grains of a quasicrystalline phase displaying face-centered icosahedral symmetry and low phason strain. The compositional range of the icosahedral phase is Al 68-73Fe 11-16Cu 10-12Cr 1-4Ni 1-2 and extends toward higher Al/(Cu+Fe) and Fe/Cu ratios than those reported for natural icosahedrite or for any previously known synthetic quasicrystalmore » in the Al-Cu-Fe system. The shock-induced synthesis demonstrated in this experiment reinforces the evidence that natural quasicrystals formed during a shock event but leaves open the question of whether this synthesis pathway is attributable to the expanded thermodynamic stability range of the quasicrystalline phase at high pressure, to a favorable kinetic pathway that exists under shock conditions, or to both thermodynamic and kinetic factors.« less

Phase equilibria in the nominally Al65Cu23Fe12 system at 3, 5 and 21 GPa: Implications for the quasicrystal-bearing Khatyrka meteorite

NASA Astrophysics Data System (ADS)

Stagno, Vincenzo; Bindi, Luca; Steinhardt, Paul J.; Fei, Yingwei

2017-10-01

Two of the three natural quasiperiodic crystals found in the Khatyrka meteorite show a composition within the Al-Cu-Fe system. Icosahedrite, with formula Al63Cu24Fe13, coexists with the new Al62Cu31Fe7 quasicrystal plus additional Al-metallic minerals such as stolperite (AlCu), kryachkoite [(Al,Cu)6(Fe,Cu)], hollisterite (AlFe3), khatyrkite (Al2Cu) and cupalite (AlCu), associated to high-pressure phases like ringwoodite/ahrensite, coesite, and stishovite. These high-pressure minerals represent the evidence that most of the Khatyrka meteoritic fragments formed at least at 5 GPa and 1200 °C, if not at more extreme conditions. On the other hand, experimental studies on phase equilibria within the representative Al-Cu-Fe system appear mostly limited to ambient pressure conditions, yet. This makes the interpretation of the coexisting mineral phases in the meteoritic sample quite difficult. We performed experiments at 3, 5 and 21 GPa and temperatures of 800-1500 °C using the multi-anvil apparatus to investigate the phase equilibria in the Al65Cu23Fe12 system representative of the first natural quasicrystal, icosahedrite. Our results, supported by single-crystal X-ray diffraction and analyses by scanning electron microscopy, confirm the stability of icosahedrite at high pressure and temperature along with additional coexisting Al-bearing phases representative of khatyrkite and stolperite as those found in the natural meteorite. One reversal experiment performed at 5 GPa and 1200 °C shows the formation of the icosahedral quasicrystal from a pure Al, Cu and Fe mixture, a first experimental synthesis of icosahedrite under those conditions. Pressure appears to not play a major role in the distribution of Al, Cu and Fe between the coexisting phases, icosahedrite in particular. Results from this study extend our knowledge on the stability of icosahedral AlCuFe at higher temperature and pressure than previously examined, and provide a new constraint on the stability of

From Quasicrystals to Crystals with Interpenetrating Icosahedra in Ca–Au–Al: In Situ Variable-Temperature Transformation

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

Pham, Joyce; Meng, Fanqiang; Lynn, Matthew J.

The irreversible transformation from an icosahedral quasicrystal (i-QC) CaAu 4.39Al 1.61 to its cubic 2/1 crystalline approximant (CA) Ca 13Au 56.31(3)Al 21.69 (CaAu 4.33(1)Al1.67, Pamore » $$\\bar{3}$$ (No. 205); Pearson symbol: cP728; a = 23.8934(4)), starting at ~570 °C and complete by ~650 °C, is discovered from in situ, high-energy, variable-temperature powder X-ray diffraction (PXRD), thereby providing direct experimental evidence for the relationship between QCs and their associated CAs. The new cubic phase crystallizes in a Tsai-type approximant structure under the broader classification of polar intermetallic compounds, in which atoms of different electronegativities, viz., electronegative Au + Al vs electropositive Ca, are arranged in concentric shells. From a structural chemical perspective, the outermost shell of this cubic approximant may be described as interpenetrating and edge-sharing icosahedra, a perspective that is obtained by splitting the traditional structural description of this shell as a 92-atom rhombic triacontahedron into an 80-vertex cage of primarily Au [Au 59.86(2)Al 17.14⟂ 3.00] and an icosahedral shell of only Al [Al 10.5⟂ 1.5]. Following the proposal that the cubic 2/1 CA approximates the structure of the i-QC and on the basis of the observed transformation, an atomic site analysis of the 2/1 CA, which shows a preference to maximize the number of heteroatomic Au–Al nearest neighbor contacts over homoatomic Al–Al contacts, implies a similar outcome for the i-QC structure. Analysis of the most intense reflections in the diffraction pattern of the cubic 2/1 CA that changed during the phase transformation shows correlations with icosahedral symmetry, and the stability of this cubic phase is assessed using valence electron counts. Finally, according to electronic structure calculations, a cubic 1/1 CA, “Ca 24Au 88Al 64” (CaAu 3.67Al 2.67) is proposed.« less

From Quasicrystals to Crystals with Interpenetrating Icosahedra in Ca–Au–Al: In Situ Variable-Temperature Transformation

DOE PAGES

Pham, Joyce; Meng, Fanqiang; Lynn, Matthew J.; ...

2017-12-29

The irreversible transformation from an icosahedral quasicrystal (i-QC) CaAu 4.39Al 1.61 to its cubic 2/1 crystalline approximant (CA) Ca 13Au 56.31(3)Al 21.69 (CaAu 4.33(1)Al1.67, Pamore » $$\\bar{3}$$ (No. 205); Pearson symbol: cP728; a = 23.8934(4)), starting at ~570 °C and complete by ~650 °C, is discovered from in situ, high-energy, variable-temperature powder X-ray diffraction (PXRD), thereby providing direct experimental evidence for the relationship between QCs and their associated CAs. The new cubic phase crystallizes in a Tsai-type approximant structure under the broader classification of polar intermetallic compounds, in which atoms of different electronegativities, viz., electronegative Au + Al vs electropositive Ca, are arranged in concentric shells. From a structural chemical perspective, the outermost shell of this cubic approximant may be described as interpenetrating and edge-sharing icosahedra, a perspective that is obtained by splitting the traditional structural description of this shell as a 92-atom rhombic triacontahedron into an 80-vertex cage of primarily Au [Au 59.86(2)Al 17.14⟂ 3.00] and an icosahedral shell of only Al [Al 10.5⟂ 1.5]. Following the proposal that the cubic 2/1 CA approximates the structure of the i-QC and on the basis of the observed transformation, an atomic site analysis of the 2/1 CA, which shows a preference to maximize the number of heteroatomic Au–Al nearest neighbor contacts over homoatomic Al–Al contacts, implies a similar outcome for the i-QC structure. Analysis of the most intense reflections in the diffraction pattern of the cubic 2/1 CA that changed during the phase transformation shows correlations with icosahedral symmetry, and the stability of this cubic phase is assessed using valence electron counts. Finally, according to electronic structure calculations, a cubic 1/1 CA, “Ca 24Au 88Al 64” (CaAu 3.67Al 2.67) is proposed.« less

Atomic model of anti-phase boundaries in a face-centred icosahedral Zn Mg Dy quasicrystal

NASA Astrophysics Data System (ADS)

Wang, Jianbo; Yang, Wenge; Wang, Renhui

2003-03-01

An atomic model in the physical space for an anti-phase boundary (APB) in the ordered face-centred icosahedral Zn-Mg-Dy quasicrystal phase is presented, based on a six-dimensional model suggested by Ishimasa and Shimizu (2000 Mater. Sci. Eng. A 294-296 232, Ishimasa 2001 private communication). The physical space atomic positions of the defected structure were used for the calculation of the corresponding exit-plane wavefunction and high-resolution transmission electron microscopy images. The analysis of the defect by inverse Fourier transformation reveals that when superstructure reflection spots are used for back-transformation, then at the APB, bright lattice fringes are found to turn into dark ones, and vice versa. When fundamental reflections are used, the APB is not visible. This phenomenon is the same as the corresponding experimental study recently published by Heggen et al(2001a Phys. Rev. B 64 014202). Based on this atomic model it is found that the APB perpendicular to a fivefold axis A5 (APB-A5) is a non-conservative boundary, while the APB perpendicular to a pseudo-twofold axis A2P (APB-A2P) is a conservative one. This fact is consistent with the experimental observation (Heggen et al2002 J. Alloys Compounds 342 330) that the frequency of occurrence of APB-A5 is 90% in the heat-treated samples compared with that in the deformed samples (45%), while the frequency of occurrence of APB-A2P is 34% in the deformed samples compared with that in the heat-treated samples.

Evolution of Nano-structured Quasicrystals from Amorphous alloys

NASA Astrophysics Data System (ADS)

Xing, L. Q.; Kelton, K. F.

2002-03-01

Ta shows a significant effect on the precipitation of quasicrystals in (Zr_1-xTa_x)_64Cu_18Ni_8Al_10 amorphous alloys. The amorphous alloy made without Ta forms precipitates of tetragonal Zr_2Cu primary phases upon annealing. The addition of a small amount of Ta ( ~ 3 at%) to the alloy initiates the precipitation of primary icosahedral quasicrystal phases. Moreover, as the Ta concentration increases, the size of the precipitates decreases dramatically. To study the effect of Ta in this alloy system and to understand the mechanism for the precipitation of nano-structured quasicrystals, we have investigated the crystallization characteristics of the alloys made with different Ta concentration using DSC, checked the structures of the annealed samples with TEM and X-ray diffraction, and analyzed the kinetics of the crystallization processes. The kinetic parameter and the measured crystal size distribution will be compared with theoretical predictions from conventional nucleation and growth model and from a new model for nucleation that couples the long-range diffusion flux with the interfacial attachment processes.

An Icosahedral Quasicrystal and Its 1/0 Crystalline Approximant in the Ca–Au–Al System

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

Pham, Joyce; Kreyssig, Andreas; Goldman, Alan I.

2016-10-17

A new icosahedral quasicrystalline phase, CaAu4.5–xAl1.5+x [0.11 ≤ x ≤ 0.40(6); CaAu4.4Al1.6, aQC = 5.383(4) Å, and Pm35], and its lowest-order 1/0 cubic crystalline approximant phase, CaAu3+xAl1–x [0 ≤ x ≤ 0.31(1); a = 9.0766(5)–9.1261(8) Å, Pa3(No. 205), and Pearson symbol cP40], have been discovered in the Ca-poor region of the Ca–Au–Al system. In the crystalline approximant, eight [Au3–xAl1+x] tetrahedra fill the unit cell, and each tetrahedron is surrounded by four Ca atoms, thus forming a three-dimensional network of {Ca4/4[Au3–xAl1+x]} tetrahedral stars. A computational study of Au and Al site preferences concurs with the experimental results, which indicate a preferencemore » for near-neighbor Au–Al interactions over Au–Au and Al–Al interactions. Analysis of the electronic density of states and the associated crystal orbital Hamilton population curves was used to rationalize the descriptions of CaAu4.5–xAl1.5+x [0.11 ≤ x ≤ 0.46(6)] and CaAu3+xAl1–x [0 ≤ x ≤ 0.31(1)] as polar intermetallic species, whereby Ca atoms engage in polar covalent bonding with the electronegative, electron-deficient [Au3–xAl1+x] tetrahedral clusters and the observed phase width of the crystalline approximant.« less

Controlling the Growth of Au on Icosahedral Seeds of Pd by Manipulating the Reduction Kinetics

DOE PAGES

Lv, Tian; Yang, Xuan; Zheng, Yiqun; ...

2016-03-29

This article reports a systematic study of how Au atoms nucleate and grow on Pd icosahedral seeds with a multiply twinned structure. By manipulating the reduction kinetics, we obtained Pd–Au bimetallic nanocrystals with two distinct shapes and structures. Specifically, Pd@Au core–shell icosahedra were formed when a relatively fast reduction rate was used for the HAuCl 4 precursor. At a slow reduction rate, in contrast, the nucleation and growth of Au atoms were mainly confined to one of the vertices of a Pd icosahedral seed, resulting in the formation of a Au icosahedron by sharing five adjacent faces with the Pdmore » seed. The same growth pattern was observed for Pd icosahedral seeds with both sizes of 32 and 20 nm. Also, we have also investigated the effects of other kinetic parameters, including the concentration of reducing agent and reaction temperature, on the growth pathway undertaken by the Au atoms. In conclusion, we believe that the mechanistic insights obtained from this study can be extended to other systems, including the involvement of different metals and/or seeds with different morphologies.« less

Quasicrystal structure and growth models: discussion of the status quo and the still open questions

NASA Astrophysics Data System (ADS)

Steurer, Walter

2017-02-01

Where are we now in quasicrystal (QC) research more than three decades after Dan Shechtman’s discovery? Do we fully understand the origin of quasiperiodicity, the formation, growth, thermodynamic stability, structure and properties of quasicrystals? First, I will shortly present the status quo, then I will address the still open questions, and identify potential focus areas for future research. Because of the limited space, I will focus on decagonal quasicrystals (DQCs); the status quo for research on icosahedral quasicrystals (IQCs) is comparable.

Evidence from x-ray and neutron powder diffraction patterns that the so-called icosahedral and decagonal quasicrystals of MnAl(6) and other alloys are twinned cubic crystals.

PubMed

Pauling, L

1987-06-01

It is shown that the x-ray powder diffraction patterns of rapidly quenched MnAl(6) and Mg(32)(Al,Zn)(49) and the neutron powder diffraction pattern of MnAl(6) are compatible with the proposed 820-atom primitive cubic structure [Pauling, L. (1987) Phys. Rev. Lett. 58, 365-368]. The values found for the edge of the unit cube are 23.365 A (x-ray) and 23.416 A (neutron) for MnAl(6) and 24.313 A (x-ray) for Mg(32)(Al,Zn)(49).

Evidence from x-ray and neutron powder diffraction patterns that the so-called icosahedral and decagonal quasicrystals of MnAl6 and other alloys are twinned cubic crystals

PubMed Central

Pauling, Linus

1987-01-01

It is shown that the x-ray powder diffraction patterns of rapidly quenched MnAl6 and Mg32(Al,Zn)49 and the neutron powder diffraction pattern of MnAl6 are compatible with the proposed 820-atom primitive cubic structure [Pauling, L. (1987) Phys. Rev. Lett. 58, 365-368]. The values found for the edge of the unit cube are 23.365 Å (x-ray) and 23.416 Å (neutron) for MnAl6 and 24.313 Å (x-ray) for Mg32(Al,Zn)49. PMID:16593841

Structure of the orthorhombic form of Mn(2)Al(7), Fe(2)Al(7), and (Mn(0.7)Fe(0.3))(2)Al(7) that by twinning produces grains with decagonal point-group symmetry.

PubMed

Pauling, L

1988-04-01

Analysis of electron diffraction photographs of grains of Mn(2)Al(7), Fe(2)Al(7), and (Mn(0.7)Fe(0.3))(2)Al(7) leads to the conclusion that they are 5-fold twins of a 1664-atom orthorhombic crystal with a = 32.86 A, b = 31.23 A, and c = 24.80 A and with 16 icosahedral clusters of 104 atoms in positions shifted by small amounts from those of the cubic beta-tungsten structure.

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

Unal, B.; Jenks, C.J.; Thiel, P.A.

From other work, two preferred sites have been suggested for metals and semimetals adsorbed on the fivefold surfaces of icosahedral, Al-based quasicrystals. Because of their appearance in scanning tunneling microscopy (STM) images, these sites are known as dark stars and white flowers. In this paper, we analyze four bulk structural models in physical space to determine the types, chemical decorations, and densities of the dark star - and, to a lesser extent, the white flower - adsorption sites for the fivefold planes of icosahedral Al-Pd-Mn. We find that the chemical decorations of these sites are heterogeneous, even within a singlemore » model. Both features are also structurally heterogeneous, according to STM measurements, and the structural variation is consistent with the bulk structure models. Finally, from the models, the density of dark stars in the planes correlates with the step height. This may explain previous experimental observations of different properties for different terraces.« less

Structure of the orthorhombic form of Mn2Al7, Fe2Al7, and (Mn0.7Fe0.3)2Al7 that by twinning produces grains with decagonal point-group symmetry

PubMed Central

Pauling, Linus

1988-01-01

Analysis of electron diffraction photographs of grains of Mn2Al7, Fe2Al7, and (Mn0.7Fe0.3)2Al7 leads to the conclusion that they are 5-fold twins of a 1664-atom orthorhombic crystal with a = 32.86 Å, b = 31.23 Å, and c = 24.80 Å and with 16 icosahedral clusters of 104 atoms in positions shifted by small amounts from those of the cubic β-tungsten structure. PMID:16593921

Evidence for the extraterrestrial origin of a natural quasicrystal.

PubMed

Bindi, Luca; Eiler, John M; Guan, Yunbin; Hollister, Lincoln S; MacPherson, Glenn; Steinhardt, Paul J; Yao, Nan

2012-01-31

We present evidence that a rock sample found in the Koryak Mountains in Russia and containing icosahedrite, an icosahedral quasicrystalline phase with composition Al(63)Cu(24)Fe(13), is part of a meteorite, likely formed in the early solar system about 4.5 Gya. The quasicrystal grains are intergrown with diopside, forsterite, stishovite, and additional metallic phases [khatyrkite (CuAl(2)), cupalite (CuAl), and β-phase (AlCuFe)]. This assemblage, in turn, is enclosed in a white rind consisting of diopside, hedenbergite, spinel (MgAl(2)O(4)), nepheline, and forsterite. Particularly notable is a grain of stishovite (from the interior), a tetragonal polymorph of silica that only occurs at ultrahigh pressures (≥ 10 Gpa), that contains an inclusion of quasicrystal. An extraterrestrial origin is inferred from secondary ion mass spectrometry (18)O/(16)O and (17)O/(16)O measurements of the pyroxene and olivine intergrown with the metal that show them to have isotopic compositions unlike any terrestrial minerals and instead overlap those of anhydrous phases in carbonaceous chondrite meteorites. The spinel from the white rind has an isotopic composition suggesting that it was part of a calcium-aluminum-rich inclusion similar to those found in CV3 chondrites. The mechanism that produced this exotic assemblage is not yet understood. The assemblage (metallic copper-aluminum alloy) is extremely reduced, and the close association of aluminum (high temperature refractory lithophile) with copper (low temperature chalcophile) is unexpected. Nevertheless, our evidence indicates that quasicrystals can form naturally under astrophysical conditions and remain stable over cosmic timescales, giving unique insights on their existence in nature and stability.

Evidence for the extraterrestrial origin of a natural quasicrystal

PubMed Central

Bindi, Luca; Eiler, John M.; Guan, Yunbin; Hollister, Lincoln S.; MacPherson, Glenn; Steinhardt, Paul J.; Yao, Nan

2012-01-01

We present evidence that a rock sample found in the Koryak Mountains in Russia and containing icosahedrite, an icosahedral quasicrystalline phase with composition Al63Cu24Fe13, is part of a meteorite, likely formed in the early solar system about 4.5 Gya. The quasicrystal grains are intergrown with diopside, forsterite, stishovite, and additional metallic phases [khatyrkite (CuAl2), cupalite (CuAl), and β-phase (AlCuFe)]. This assemblage, in turn, is enclosed in a white rind consisting of diopside, hedenbergite, spinel (MgAl2O4), nepheline, and forsterite. Particularly notable is a grain of stishovite (from the interior), a tetragonal polymorph of silica that only occurs at ultrahigh pressures (≥10 Gpa), that contains an inclusion of quasicrystal. An extraterrestrial origin is inferred from secondary ion mass spectrometry 18O/16O and 17O/16O measurements of the pyroxene and olivine intergrown with the metal that show them to have isotopic compositions unlike any terrestrial minerals and instead overlap those of anhydrous phases in carbonaceous chondrite meteorites. The spinel from the white rind has an isotopic composition suggesting that it was part of a calcium-aluminum-rich inclusion similar to those found in CV3 chondrites. The mechanism that produced this exotic assemblage is not yet understood. The assemblage (metallic copper-aluminum alloy) is extremely reduced, and the close association of aluminum (high temperature refractory lithophile) with copper (low temperature chalcophile) is unexpected. Nevertheless, our evidence indicates that quasicrystals can form naturally under astrophysical conditions and remain stable over cosmic timescales, giving unique insights on their existence in nature and stability. PMID:22215583

Phason space analysis and structure modelling of 100 Å-scale dodecagonal quasicrystal in Mn-based alloy

NASA Astrophysics Data System (ADS)

Ishimasa, Tsutomu; Iwami, Shuhei; Sakaguchi, Norihito; Oota, Ryo; Mihalkovič, Marek

2015-11-01

The dodecagonal quasicrystal classified into the five-dimensional space group P126/mmc, recently discovered in a Mn-Cr-Ni-Si alloy, has been analysed using atomic-resolution spherical aberration-corrected electron microscopy, i.e. high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) and conventional transmission electron microscopy. By observing along the 12-fold axis, non-periodic tiling consisting of an equilateral triangle and a square has been revealed, of which common edge length is a = 4.560 Å. These tiles tend to form a network of dodecagons of which size is ?a ≈ 17 Å in diameter. The tiling was interpreted as an aggregate of 100 Å-scale oriented domains of high- and low-quality quasicrystals with small crystallites appearing at their boundaries. The quasicrystal domains exhibited a densely filled circular acceptance region in the phason space. This is the first observation of the acceptance region in an actual dodecagonal quasicrystal. Atomic structure model consistent with the electron microscopy images is a standard Frank-Kasper decoration of the triangle and square tiles that can be inferred from the crystal structures of Zr4Al3 and Cr3Si. Four kinds of layers located at z = 0, ±1/4 and 1/2 are stacked periodically along the 12-fold axis, and the atoms at z = 0 and 1/2 form hexagonal anti-prisms consistently with the 126-screw axis. The validity of this structure model was examined by means of powder X-ray diffraction.

Fine Structure of Diffuse Scattering Rings in Al-Li-Cu Quasicrystal: A Comparative X-ray and Electron Diffraction Study

NASA Astrophysics Data System (ADS)

Donnadieu, P.; Dénoyer, F.

1996-11-01

A comparative X-ray and electron diffraction study has been performed on Al-Li-Cu icosahedral quasicrystal in order to investigate the diffuse scattering rings revealed by a previous work. Electron diffraction confirms the existence of rings but shows that the rings have a fine structure. The diffuse aspect on the X-ray diffraction patterns is then due to an averaging effect. Recent simulations based on the model of canonical cells related to the icosahedral packing give diffractions patterns in agreement with this fine structure effect. Nous comparons les diagrammes de diffraction des rayon-X et des électrons obtenus sur les mêmes échantillons du quasicristal icosaèdrique Al-Li-Cu. Notre but est d'étudier les anneaux de diffusion diffuse mis en évidence par un travail précédent. Les diagrammes de diffraction électronique confirment la présence des anneaux mais ils montrent aussi que ces anneaux possèdent une structure fine. L'aspect diffus des anneaux révélés par la diffraction des rayons X est dû à un effet de moyenne. Des simulations récentes basées sur la décomposition en cellules canoniques de l'empilement icosaédrique produisent des diagrammes de diffraction en accord avec ces effects de structure fine.

Icosahedral quasicrystalline (Ti1.6V0.4Ni)100-xScx alloys: Synthesis, structure and their application in Ni-MH batteries

NASA Astrophysics Data System (ADS)

Hu, Wen; Yi, Jianhong; Zheng, Biju; Wang, Limin

2013-06-01

Thanks to the revolutionary discovery of 5-fold symmetry contributed by Shechtman, quasicrystal is now recognized as another solid-state existing form. As the second largest class of quasicrystals, titanium-based icosahedral quasicrystals are very promising for hydrogen storage applications owing to their inherent abundant interstitial sites and favorable hydrogen-metal chemistry. In this context, (Ti1.6V0.4Ni)100-xScx (x=0.5-6) quaternary icosahedral quasicrystals have been successfully synthesized via arc-melting and subsequent melt-spinning techniques, and then their electrochemical performance toward hydrogen is explored. When the molar ratio of Sc addition is under 1%, a maximum discharge capacity of about 270 mA h g-1 can be delivered. With further increasing Sc amount to 6%, good cycling stability as well as significantly retarded self-discharge rate (capacity retention 94% after 24 h relaxation) is observed. But meanwhile, the discharge capacities fall into 250-240 mA h g-1, and the electrocatalytic activity improvement is highly demanded.

Bronze-mean hexagonal quasicrystal

NASA Astrophysics Data System (ADS)

Dotera, Tomonari; Bekku, Shinichi; Ziherl, Primož

2017-10-01

The most striking feature of conventional quasicrystals is their non-traditional symmetry characterized by icosahedral, dodecagonal, decagonal or octagonal axes. The symmetry and the aperiodicity of these materials stem from an irrational ratio of two or more length scales controlling their structure, the best-known examples being the Penrose and the Ammann-Beenker tiling as two-dimensional models related to the golden and the silver mean, respectively. Surprisingly, no other metallic-mean tilings have been discovered so far. Here we propose a self-similar bronze-mean hexagonal pattern, which may be viewed as a projection of a higher-dimensional periodic lattice with a Koch-like snowflake projection window. We use numerical simulations to demonstrate that a disordered variant of this quasicrystal can be materialized in soft polymeric colloidal particles with a core-shell architecture. Moreover, by varying the geometry of the pattern we generate a continuous sequence of structures, which provide an alternative interpretation of quasicrystalline approximants observed in several metal-silicon alloys.

High-resolution electron microscopy observation of a new crystalline approximant W' of Mg-Zn-Y icosahedral quasicrystal

PubMed

Luo; Hashimoto

2000-10-01

A new ordered structure W' with a lattice parameter (a = 2.05 nm) about three times as large as that of the fundamental face-centered cubic W phase (a = 0.6848 nm) has been found in the Mg-Zn-Y system by means of transmission electron microscopy. The W' and W phases have the cube-to-cube orientation relationship. Moreover, the strong electron diffraction spots of the W' phase showed pseudoicosahedral symmetry, implying that it is a crystalline approximant of the Mg-Zn-Y icosahedral quasicrystal. In the high-resolution electron microscopic images of the W' phase, Penrose tiles of pentagons and boats with an edge length of a(p) = 0.481 nm can be identified. A binary tile of crown subunit has also been deduced from such a tiling. Translation domains of the W' phase have also been observed and the translation vectors at the domain boundary are: a(p), tau x a(p) and (1 + tau) x a(p), respectively, where (1 + tau) x a(p) equals to the edge length a(r) of the big obtuse rhombus of the W' phase and tau = (1 + square root of 5)/2, is the golden ratio.

Shear localization and size-dependent strength of YCd 6 quasicrystal approximant at the micrometer length scale

DOE PAGES

Song, Gyuho; Kong, Tai; Dusoe, Keith J.; ...

2018-01-24

Mechanical properties of materials are strongly dependent of their atomic arrangement as well as the sample dimension, particularly at the micrometer length scale. Here in this study, we investigated the small-scale mechanical properties of single-crystalline YCd 6, which is a rational approximant of the icosahedral Y-Cd quasicrystal. In situ microcompression tests revealed that shear localization always occurs on {101} planes, but the shear direction is not constrained to any particular crystallographic directions. Furthermore, the yield strengths show the size dependence with a power law exponent of 0.4. Shear localization on {101} planes and size-dependent yield strength are explained in termsmore » of a large interplanar spacing between {101} planes and the energetics of shear localization process, respectively. The mechanical behavior of the icosahedral Y-Cd quasicrystal is also compared to understand the influence of translational symmetry on the shear localization process in both YCd 6 and Y-Cd quasicrystal micropillars. Finally, the results of this study will provide an important insight in a fundamental understanding of shear localization process in novel complex intermetallic compounds.« less

Shear localization and size-dependent strength of YCd 6 quasicrystal approximant at the micrometer length scale

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

Song, Gyuho; Kong, Tai; Dusoe, Keith J.

Mechanical properties of materials are strongly dependent of their atomic arrangement as well as the sample dimension, particularly at the micrometer length scale. Here in this study, we investigated the small-scale mechanical properties of single-crystalline YCd 6, which is a rational approximant of the icosahedral Y-Cd quasicrystal. In situ microcompression tests revealed that shear localization always occurs on {101} planes, but the shear direction is not constrained to any particular crystallographic directions. Furthermore, the yield strengths show the size dependence with a power law exponent of 0.4. Shear localization on {101} planes and size-dependent yield strength are explained in termsmore » of a large interplanar spacing between {101} planes and the energetics of shear localization process, respectively. The mechanical behavior of the icosahedral Y-Cd quasicrystal is also compared to understand the influence of translational symmetry on the shear localization process in both YCd 6 and Y-Cd quasicrystal micropillars. Finally, the results of this study will provide an important insight in a fundamental understanding of shear localization process in novel complex intermetallic compounds.« less

Icosahedral stereographic projections in three dimensions for use in dark field TEM.

PubMed

Bourdillon, Antony J

2013-08-01

Thermodynamics require that rapidly cooled crystals and quasicrystals are relatively defective. Yet, without convenient 3-dimensional indexation both at crystal poles and in diffraction planes, or Kikuchi maps, it is difficult to identify the defects by dark field transmission electron microscopy. For two phase Al6Mn, these maps are derived. They relate i-Al6Mn to the standard face centered cubic, matrix crystals. An example of their usefulness in determining interfacial characteristics is described. Indices are integral powers on an irrational number. Copyright © 2013 Elsevier Ltd. All rights reserved.

Decagonal quasicrystal and related crystalline phases in Mn-Ga alloys with 52 to 63 a/o Ga

NASA Astrophysics Data System (ADS)

Wu, J. S.; Kuo, K. H.

1997-03-01

A decagonal quasicrystal (DQC) and six related intermetallic phases with large unit cells have been found in binary Mn-Ga alloys with 52 to 63 at. pct Ga by means of transmission electron microscopy (TEM). As does the Al-Mn DQC, the Ga-Mn DQC also has a periodicity of 1.25 nm along its tenfold axis. However, its Mn content, determined by electron microprobe X-ray analysis (about 45 to 50 at. pct Mn), is much higher than that of the Al-Mn DQC (about 20 to 30 at. pct Mn). The compositions of the intermetallic phases are about 53, 56, 58, and 62 at. pct Ga, corresponding respectively to the unknown structures of MnGa (50.7 to 53.4 at. pct Ga), Mn5Ga6 (55 at pct Ga), Mn5Ga7 (57.9 at. pct Ga), and Mn3Ga5 (62.9 at. pct Ga) given in the binary Mn-Ga phase diagram ( Metals Hand-book, T.B. Massalski, J.L. Murray, L.H. Benneft, and H. Baker, eds., ASM, Metals Park, OH, 1986, vol. 2, p. 1144). Their lattice types have been determined by selected area electron diffraction. The ferromagnetic Mn3Ga5 is tetragonal, a=1.25 nm and c=2.50 nm; Mn5Ga7 is orthorhombic, a=4.57 nm, b=1.25 nm, and c=1.44 nm; Mn5Ga6 has two different but closely related orthorhombic unit cells, a=1.26 nm, b=1.25 nm, and c=1.48 nm as well as a=0.77 nm, b=1.25 nm, and c=2.36 nm; MnGa also has two different and related unit cells, one orthorhombic with a=2.04 nm, b=1.25 nm, and c=1.48 nm and the other monoclinic with a=2.59 nm, b=1.25 nm, c=1.15 nm, and β≈=110 deg. All these orthorhombic phases have b=1.25 nm, being the same as the periodicity along the tenfold axis of the Ga-Mn and Al-Mn DQCs. Moreover, all these six intermetallic phases give electron diffraction patterns displaying a pseudo-tenfold distribution of strong diffraction spots and are considered to be crystalline approximants of the Ga-Mn DQC.

Natural quasicrystal with decagonal symmetry

NASA Astrophysics Data System (ADS)

Bindi, Luca; Yao, Nan; Lin, Chaney; Hollister, Lincoln S.; Andronicos, Christopher L.; Distler, Vadim V.; Eddy, Michael P.; Kostin, Alexander; Kryachko, Valery; MacPherson, Glenn J.; Steinhardt, William M.; Yudovskaya, Marina; Steinhardt, Paul J.

2015-03-01

We report the first occurrence of a natural quasicrystal with decagonal symmetry. The quasicrystal, with composition Al71Ni24Fe5, was discovered in the Khatyrka meteorite, a recently described CV3 carbonaceous chondrite. Icosahedrite, Al63Cu24Fe13, the first natural quasicrystal to be identified, was found in the same meteorite. The new quasicrystal was found associated with steinhardtite (Al38Ni32Fe30), Fe-poor steinhardtite (Al50Ni40Fe10), Al-bearing trevorite (NiFe2O4) and Al-bearing taenite (FeNi). Laboratory studies of decagonal Al71Ni24Fe5 have shown that it is stable over a narrow range of temperatures, 1120 K to 1200 K at standard pressure, providing support for our earlier conclusion that the Khatyrka meteorite reached heterogeneous high temperatures [1100 < T(K) <= 1500] and then rapidly cooled after being heated during an impact-induced shock that occurred in outer space 4.5 Gya. The occurrences of metallic Al alloyed with Cu, Ni, and Fe raises new questions regarding conditions that can be achieved in the early solar nebula.

AlMn Transition Edge Sensors for Advanced ACTPol

NASA Astrophysics Data System (ADS)

Li, Dale; Austermann, Jason E.; Beall, James A.; Becker, Daniel T.; Duff, Shannon M.; Gallardo, Patricio A.; Henderson, Shawn W.; Hilton, Gene C.; Ho, Shuay-Pwu; Hubmayr, Johannes; Koopman, Brian J.; McMahon, Jeffrey J.; Nati, Federico; Niemack, Michael D.; Pappas, Christine G.; Salatino, Maria; Schmitt, Benjamin L.; Simon, Sara M.; Staggs, Suzanne T.; Van Lanen, Jeff; Ward, Jonathan T.; Wollack, Edward J.

2016-07-01

Advanced ACTPol (AdvACT) will use an array of multichroic polarization-sensitive AlMn transition edge sensor (TES) bolometers read out through time-division multiplexing. Aluminum doped with a low concentration of manganese can be deposited to a bulk film thickness for a more reliable superconducting critical temperature uniformity compared to thin bilayers. To build the TES, the AlMn alloy is deposited, over Nb wiring, to a specific thickness to set the TES normal resistance. The doping concentration of manganese coarsely defines the TES critical temperature, while a fine tuning is achieved by heating the deposited film to a specific temperature. The TES island is connected to the thermal bath via four silicon-nitride membranes, where their geometry defines the thermal conductance to the temperature of the bath. Lastly, the TES heat capacity is increased by addition of PdAu electrically connected to the AlMn film. Designs and performance characteristics of these AlMn TESs are presented for use in AdvACT.

Growth of a decagonal Al 70Ni 15Co 15 single quasicrystal by the Czochralski method

NASA Astrophysics Data System (ADS)

Jeong, H. T.; Kim, S. H.; Kim, W. T.; Kim, D. H.; Inkson, B. J.

2000-07-01

Single decagonal quasicrystals of Al 70Ni 15Co 15 were grown by the Czochralski method at Ar atmosphere. The grown crystals were of single decagonal phase without any secondary phases due to the peritectic reaction and contained a large single quasicrystal of cm order size. The high quality and single quasicrystallinity of them were examined by the Laue transmission photography, single crystal X-ray diffraction, and high-resolution electron microscopy investigations.

Icosahedral quasicrystalline (Ti₁.₆V₀.₄Ni)₁₀₀₋xScx alloys: Synthesis, structure and their application in Ni-MH batteries

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

Hu, Wen; State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, CAS, Changchun 130022, Jilin; Yi, Jianhong

2013-06-01

Thanks to the revolutionary discovery of 5-fold symmetry contributed by Shechtman, quasicrystal is now recognized as another solid-state existing form. As the second largest class of quasicrystals, titanium-based icosahedral quasicrystals are very promising for hydrogen storage applications owing to their inherent abundant interstitial sites and favorable hydrogen-metal chemistry. In this context, (Ti₁.₆V₀.₄Ni)₁₀₀₋xScx (x=0.5–6) quaternary icosahedral quasicrystals have been successfully synthesized via arc-melting and subsequent melt-spinning techniques, and then their electrochemical performance toward hydrogen is explored. When the molar ratio of Sc addition is under 1%, a maximum discharge capacity of about 270 mA h g⁻¹ can be delivered. With furthermore » increasing Sc amount to 6%, good cycling stability as well as significantly retarded self-discharge rate (capacity retention 94% after 24 h relaxation) is observed. But meanwhile, the discharge capacities fall into 250-240 mA h g⁻¹, and the electrocatalytic activity improvement is highly demanded. - Graphical abstract: Quasicrystalline Ti–V–Ni–Sc hydrogen storage materials: Sc addition into Ti₁.₆V₀.₄Ni alloy forms the icosahedral phase (see picture). With optimal Sc dosage, the anodic cycling stability and self-discharge property are greatly enhanced. - Highlights: • Crystalline disallowed 5-fold symmetry is present in (Ti₁.₆V₀.₄Ni)₁₀₀₋xScx alloys. • Ti-based metastable quasicrystalline alloys can store hydrogen electrochemically. • A maximum discharge capacity of 270 mA h g⁻¹ can be delivered. • Advantageous cycle stability and self-discharge property benefit from Sc addition. • Ti and V dissolution is suppressed by an oxide layer resulting from Sc corrosion.« less

Al-centered icosahedral ordering in Cu46Zr46Al8 bulk metallic glass

NASA Astrophysics Data System (ADS)

Fang, H. Z.; Hui, X.; Chen, G. L.; Liu, Z. K.

2009-03-01

Icosahedral short-range order, of which Al atoms are caged in the center of icosahedra with Cu and Zr atoms being the vertices, has been evidenced in the Cu46Zr46Al8 glassy structure by ab initio molecular dynamics simulation. These Al-centered clusters distribute irregularly in the three-dimensional space and form a "backbone" structure of the Cu46Zr46Al8 glass alloy. It is suggested that this kind of local structural feature is attributed to the requirement of efficient dense packing and the chemical affinity between Zr-Zr, Zr-Al, and Cu-Zr atoms. Our calculated results are found to be in good agreement with the experimental data.

Discovery of superconductivity in quasicrystal.

PubMed

Kamiya, K; Takeuchi, T; Kabeya, N; Wada, N; Ishimasa, T; Ochiai, A; Deguchi, K; Imura, K; Sato, N K

2018-01-11

Superconductivity is ubiquitous as evidenced by the observation in many crystals including carrier-doped oxides and diamond. Amorphous solids are no exception. However, it remains to be discovered in quasicrystals, in which atoms are ordered over long distances but not in a periodically repeating arrangement. Here we report electrical resistivity, magnetization, and specific-heat measurements of Al-Zn-Mg quasicrystal, presenting convincing evidence for the emergence of bulk superconductivity at a very low transition temperature of [Formula: see text] K. We also find superconductivity in its approximant crystals, structures that are periodic, but that are very similar to quasicrystals. These observations demonstrate that the effective interaction between electrons remains attractive under variation of the atomic arrangement from periodic to quasiperiodic one. The discovery of the superconducting quasicrystal, in which the fractal geometry interplays with superconductivity, opens the door to a new type of superconductivity, fractal superconductivity.

Pseudo-icosahedral Cr 55 Al 232 - δ as a high-temperature protective material

DOE PAGES

Rosa, R.; Bhattacharya, S.; Pabla, J.; ...

2018-03-19

In this paper, we report here a course of basic research into the potential suitability of a pseudo-icosahedral Cr aluminide as a material for high temperature protective coatings. Cr 55Al 232-δ [δ = 2.70(6)] exhibits high hardness at room temperature as well as low thermal conductivity and excellent oxidation resistance at 973 K, with an oxidation rate comparable to those of softer, denser benchmark materials. Lastly, the origin of these promising properties can be traced to competing long-range and short-range symmetries within the pseudo-icosahedral crystal structure, suggesting new criteria for future materials research.

Pseudo-icosahedral Cr55Al232 -δ as a high-temperature protective material

NASA Astrophysics Data System (ADS)

Rosa, R.; Bhattacharya, S.; Pabla, J.; He, H.; Misuraca, J.; Nakajima, Y.; Bender, A. D.; Antonacci, A. K.; Adrip, W.; McNally, D. E.; Zebro, A.; Kamenov, P.; Geschwind, G.; Ghose, S.; Dooryhee, E.; Ibrahim, A.; Tritt, T. M.; Aronson, M. C.; Simonson, J. W.

2018-03-01

We report here a course of basic research into the potential suitability of a pseudo-icosahedral Cr aluminide as a material for high-temperature protective coatings. Cr55Al232 -δ [ δ =2.70 (6 ) ] exhibits high hardness at room temperature as well as low thermal conductivity and excellent oxidation resistance at 973 K, with an oxidation rate comparable to those of softer, denser benchmark materials. The origin of these promising properties can be traced to competing long-range and short-range symmetries within the pseudo-icosahedral crystal structure, suggesting new criteria for future materials research.

Pseudo-icosahedral Cr 55 Al 232 - δ as a high-temperature protective material

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

Rosa, R.; Bhattacharya, S.; Pabla, J.

In this paper, we report here a course of basic research into the potential suitability of a pseudo-icosahedral Cr aluminide as a material for high temperature protective coatings. Cr 55Al 232-δ [δ = 2.70(6)] exhibits high hardness at room temperature as well as low thermal conductivity and excellent oxidation resistance at 973 K, with an oxidation rate comparable to those of softer, denser benchmark materials. Lastly, the origin of these promising properties can be traced to competing long-range and short-range symmetries within the pseudo-icosahedral crystal structure, suggesting new criteria for future materials research.

AlMn Transition Edge Sensors for Advanced ACTPol

NASA Technical Reports Server (NTRS)

Li, Dale; Austermann, Jason E.; Beall, James A.; Tucker, Daniel T.; Duff, Shannon M.; Gallardo, Patricio A.; Henderson, Shawn W.; Hilton, Gene C.; Ho, Shuay-Pwu; Hubmayr, Johannes;

Origin of Quantum Criticality in Yb-Al-Au Approximant Crystal and Quasicrystal

NASA Astrophysics Data System (ADS)

Watanabe, Shinji; Miyake, Kazumasa

2016-06-01

To get insight into the mechanism of emergence of unconventional quantum criticality observed in quasicrystal Yb15Al34Au51, the approximant crystal Yb14Al35Au51 is analyzed theoretically. By constructing a minimal model for the approximant crystal, the heavy quasiparticle band is shown to emerge near the Fermi level because of strong correlation of 4f electrons at Yb. We find that charge-transfer mode between 4f electron at Yb on the 3rd shell and 3p electron at Al on the 4th shell in Tsai-type cluster is considerably enhanced with almost flat momentum dependence. The mode-coupling theory shows that magnetic as well as valence susceptibility exhibits χ ˜ T-0.5 for zero-field limit and is expressed as a single scaling function of the ratio of temperature to magnetic field T/B over four decades even in the approximant crystal when some condition is satisfied by varying parameters, e.g., by applying pressure. The key origin is clarified to be due to strong locality of the critical Yb-valence fluctuation and small Brillouin zone reflecting the large unit cell, giving rise to the extremely-small characteristic energy scale. This also gives a natural explanation for the quantum criticality in the quasicrystal corresponding to the infinite limit of the unit-cell size.

Anomalous magnetic configuration of Mn{sub 2}NiAl ribbon and the role of hybridization in the martensitic transformation of Mn{sub 50}Ni{sub 50−x}Al{sub x} ribbons

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

Zhao, R. B.; Department of Physics, Hebei Medical University, Shijiazhuang 050017; Zhao, D. W.

2014-12-08

The magnetic configuration of Mn{sub 2}NiAl ribbon has been investigated. In contrast to Ni{sub 2}MnAl, the compound Mn{sub 2}NiAl with considerable disorder does exhibit ferromagnetism and, due to exchange interaction competition, both ferromagnetic and antiferromagnetic moment orientations can coexist between nearest neighbor Mn atoms. This is unexpected in Heusler alloys. Regarding the mechanism of the martensitic transformation in Mn{sub 50}Ni{sub 50−x}Al{sub x}, it is found that increasing the Al content results in an unusual change in the lattice constant, a decrease of the transformation entropy change, and enhancement of the calculated electron localization. These results indicate that the p-d covalentmore » hybridization between Mn (or Ni) and Al atoms gradually increases at the expense of the d-d hybridization between Ni and Mn atoms. This leads to an increased stability of the austenite phase and a decrease of the martensitic transformation temperature. For 11 ≤ x ≤ 14, Mn{sub 50}Ni{sub 50−x}Al{sub x} ferromagnetic shape memory alloys are obtained.« less

Nanosized (mu12-Pt)Pd164-xPtx(CO)72(PPh3)20 (x approximately 7) containing Pt-centered four-shell 165-atom Pd-Pt core with unprecedented intershell bridging carbonyl ligands: comparative analysis of icosahedral shell-growth patterns with geometrically related Pd145(CO)x(PEt3)30 (x approximately 60) containing capped three-shell Pd145 core.

PubMed

Mednikov, Evgueni G; Jewell, Matthew C; Dahl, Lawrence F

2007-09-19

Presented herein are the preparation and crystallographic/microanalytical/magnetic/spectroscopic characterization of the Pt-centered four-shell 165-atom Pd-Pt cluster, (mu(12)-Pt)Pd(164-x)Pt(x)(CO)(72)(PPh(3))(20) (x approximately 7), 1, that replaces the geometrically related capped three-shell icosahedral Pd(145) cluster, Pd(145)(CO)(x)(PEt(3))(30) (x approximately 60), 2, as the largest crystallographically determined discrete transition metal cluster with direct metal-metal bonding. A detailed comparison of their shell-growth patterns gives rise to important stereochemical implications concerning completely unexpected structural dissimilarities as well as similarities and provides new insight concerning possible synthetic approaches for generation of multi-shell metal clusters. 1 was reproducibly prepared in small yields (<10%) from the reaction of Pd(10)(CO)(12)(PPh(3))(6) with Pt(CO)(2)(PPh(3))(2). Its 165-atom metal-core geometry and 20 PPh(3) and 72 CO ligands were established from a low-temperature (100 K) CCD X-ray diffraction study. The well-determined crystal structure is attributed largely to 1 possessing cubic T(h) (2/m3) site symmetry, which is the highest crystallographic subgroup of the noncrystallographic pseudo-icosahedral I(h) (2/m35) symmetry. The "full" four-shell Pd-Pt anatomy of 1 consists of: (a) shell 1 with the centered (mu(12)-Pt) atom encapsulated by the 12-atom icosahedral Pt(x)Pd(12-x) cage, x = 1.2(3); (b) shell 2 with the 42-atom nu(2) icosahedral Pt(x)Pd(42-x) cage, x = 3.5(5); (c) shell 3 with the anti-Mackay 60-atom semi-regular rhombicosidodecahedral Pt(x)Pd(60-x) cage, x = 2.2(6); (d) shell 4 with the 50-atom nu(2) pentagonal dodecahedral Pd(50) cage. The total number of crystallographically estimated Pt atoms, 8 +/- 3, which was obtained from least-squares (Pt(x)/Pd(1-x))-occupancy analysis of the X-ray data that conclusively revealed the central atom to be pure Pt (occupancy factor, x = 1.00(3)), is fortuitously in agreement

Critical Slowing Down in Zn-Mg-Ho Quasicrystal

NASA Astrophysics Data System (ADS)

Sugiyama, Jun; Nozaki, Hiroshi; Ansaldo, Eduardo J.; Morris, Gerald D.; Brewer, Jess H.; Sato, Taku J.

By means of longitudinal field muon-spin spectroscopy, we have found a clear critical slowing down caused by spin fluctuation of Ho moments in the icosahedral quasicrystal (QC), i-ZnMgHo, with freezing temperature (Tf =1.95 K), for which the susceptibility showed an anomaly at5K. The difference is attributed to crystalline elec-tric field (CEF) effects. The muons experience a broad, fluctuating, field distribution, of width Δ ∼6.3Taround Tf . The effect of the CEF is also apparent in zero field and weak applied transverse field measurements, with an onset around 60 K. For the Cd-based QCs (CdMgHo and CdMgGd), which exhibited two freezing temperatures in the susceptibility, the change in fluctuation rate, i.e. freezing, occurs at the lower Tf .

Metal-semiconductor transition at a comparable resistivity level and positive magnetoresistance in Mn3Mn1-x Pd x N thin films

NASA Astrophysics Data System (ADS)

Xu, T.; Ji, G. P.; Cao, Z. X.; Ji, A. L.

2018-02-01

Thin films of antiperovskite Mn3Mn1-x Pd x N with x up to 0.36 were grown by reactive magnetron co-sputtering method. All the deposits exhibit a [1 0 0] preferential orientation, with the lattice constant slightly enlarged in samples with ever more Pd atoms partially substituting the MnI atoms in Mn3MnN matrix. The replacement of MnI atoms in antiperovskite structure by Pd atoms, besides reducing the saturation magnetization, also invokes a metal-semiconductor transition which occurs remarkably at a comparable resistivity level. Moreover, a positive magnetoresistance was observed in samples of a high Pd content. These tunable electrical and magnetic properties of ternary antiperovskite compounds might promise some ingenious applications in electronic industry.

Raman effect in icosahedral boron-rich solids

PubMed Central

Werheit, Helmut; Filipov, Volodymyr; Kuhlmann, Udo; Schwarz, Ulrich; Armbrüster, Marc; Leithe-Jasper, Andreas; Tanaka, Takaho; Higashi, Iwami; Lundström, Torsten; Gurin, Vladimir N; Korsukova, Maria M

2010-01-01

We present Raman spectra of numerous icosahedral boron-rich solids having the structure of α-rhombohedral, β-rhombohedral, α-tetragonal, β-tetragonal, YB66, orthorhombic or amorphous boron. The spectra were newly measured and, in some cases, compared with reported data and discussed. We emphasize the importance of a high signal-to-noise ratio in the Raman spectra for detecting weak effects evoked by the modification of compounds, accommodation of interstitial atoms and other structural defects. Vibrations of the icosahedra, occurring in all the spectra, are interpreted using the description of modes in α-rhombohedral boron by Beckel et al. The Raman spectrum of boron carbide is largely clarified. Relative intra- and inter-icosahedral bonding forces are estimated for the different structural groups and for vanadium-doped β-rhombohedral boron. The validity of Badger's rule is demonstrated for the force constants of inter-icosahedral B–B bonds, whereas the agreement is less satisfactory for the intra-icosahedral B–B bonds. PMID:27877328

High spin-polarization in ultrathin Co2MnSi/CoPd multilayers

NASA Astrophysics Data System (ADS)

Galanakis, I.

2015-03-01

Half-metallic Co2MnSi finds a broad spectrum of applications in spintronic devices either in the form of thin films or as spacer in multilayers. Using state-of-the-art ab-initio electronic structure calculations we exploit the electronic and magnetic properties of ultrathin Co2MnSi/CoPd multilayers. We show that these heterostructures combine high values of spin-polarization at the Co2MnSi spacer with the perpendicular magnetic anisotropy of binary compounds such as CoPd. Thus they could find application in spintronic/magnetoelectronic devices.

Two- and three-dimensional growth of Bi on i -Al-Pd-Mn studied using medium-energy ion scattering

NASA Astrophysics Data System (ADS)

Noakes, T. C. Q.; Bailey, P.; McConville, C. F.; Draxler, M.; Walker, M.; Brown, M. G.; Hentz, A.; Woodruff, D. P.; Lograsso, T. A.; Ross, A. R.; Smerdon, J. A.; Leung, L.; McGrath, R.

2010-11-01

Recent work on the growth of thin metal films on quasicrystalline substrates has indicated the formation of so-called “magic height” islands with multiples of 4 atomic layers (AL) arising as a result of quantum size effects, which lead to enhanced stability. Here the results of a study are reported of Bi deposition on i -Al-Pd-Mn using medium-energy ion scattering to characterize the island thickness and the structural arrangement of Bi atoms within the islands. In addition, data were taken from annealed surfaces after Bi cluster desorption to leave a single aperiodic monolayer of Bi at the surface. Scattered-ion energy spectra from the Bi islands are consistent with a single Bi monolayer covered with mainly 4 AL islands for both 1.8 and 3.2 monolayer equivalent coverages but with some occupation of 2 and 8 Al islands as well. The angular dependence of the scattered-ion intensity (“blocking curve”) from Bi has been compared with simulations for various models of both rhombohedral Bi and a distorted “black-phosphorus”-like structure. The data demonstrate bilayer formation within the Bi islands. In the case of the aperiodic Bi monolayer, the blocking curves from substrate scattering are found to be inconsistent with two high-symmetry sites on the quasicrystalline surface that theory indicates are energetically favorable but do not exclude the formation of pentagonal arrangements of Bi atoms as seen in other recent experimental work.

Probing the growth and melting pathways of a decagonal quasicrystal in real-time

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

Han, Insung; Xiao, Xianghui; Shahani, Ashwin J.

How does a quasicrystal grow? Despite the decades of research that have been dedicated to this area of study, it remains one of the fundamental puzzles in the field of crystal growth. Although there has been no lack of theoretical studies on quasicrystal growth, there have been very few experimental investigations with which to test their various hypotheses. In particular, evidence of the in situ and three-dimensional (3D) growth of a quasicrystal from a parent liquid phase is lacking. To fill-in-the-gaps in our understanding of the solidification and melting pathways of quasicrystals, we performed synchrotron-based X-ray imaging experiments on amore » decagonal phase with composition of Al-15at%Ni-15at%Co. High-flux X-ray tomography enabled us to observe both growth and melting morphologies of the 3D quasicrystal at temperature. We determined that there is no time-reversal symmetry upon growth and melting of the decagonal quasicrystal. While quasicrystal growth is predominantly dominated by the attachment kinetics of atomic clusters in the liquid phase, melting is instead barrier-less and limited by buoyancy-driven convection. These experimental results provide the much-needed benchmark data that can be used to validate simulations of phase transformations involving this unique phase of matter.« less

Probing the growth and melting pathways of a decagonal quasicrystal in real-time

DOE PAGES

Han, Insung; Xiao, Xianghui; Shahani, Ashwin J.

2017-12-12

How does a quasicrystal grow? Despite the decades of research that have been dedicated to this area of study, it remains one of the fundamental puzzles in the field of crystal growth. Although there has been no lack of theoretical studies on quasicrystal growth, there have been very few experimental investigations with which to test their various hypotheses. In particular, evidence of the in situ and three-dimensional (3D) growth of a quasicrystal from a parent liquid phase is lacking. To fill-in-the-gaps in our understanding of the solidification and melting pathways of quasicrystals, we performed synchrotron-based X-ray imaging experiments on amore » decagonal phase with composition of Al-15at%Ni-15at%Co. High-flux X-ray tomography enabled us to observe both growth and melting morphologies of the 3D quasicrystal at temperature. We determined that there is no time-reversal symmetry upon growth and melting of the decagonal quasicrystal. While quasicrystal growth is predominantly dominated by the attachment kinetics of atomic clusters in the liquid phase, melting is instead barrier-less and limited by buoyancy-driven convection. These experimental results provide the much-needed benchmark data that can be used to validate simulations of phase transformations involving this unique phase of matter.« less

The enhancement of anomalous Hall effect by inserting MgO layer in perpendicular anisotropic Pd/Co2MnSi/MgO/Pd films

NASA Astrophysics Data System (ADS)

Fu, H. R.; Ma, L.; Tian, N.; You, C. Y.; Wang, K.

2018-05-01

A systematic study of anomalous Hall effect (AHE) was performed in perpendicular magnetic anisotropic Pd/Co2MnSi(tCMS)/MgO/Pd films. The AHE was significantly intensified by inserting MgO layer, which can be ascribed to the enhancement of spin-orbit coupling and interfacial scattering contribution. Moreover, it was found that the Co and Mn ions were reduced at the interface of Co2MnSi/MgO with annealing process. The stable amount of Mn-O bonding was observed at the Co2MnSi/MgO interface after annealing, implying that the proper Mn-O bonding could be favorable for achieving large AHE.

Forging Unsupported Metal-Boryl Bonds with Icosahedral Carboranes.

PubMed

Saleh, Liban M A; Dziedzic, Rafal M; Khan, Saeed I; Spokoyny, Alexander M

2016-06-13

In contrast to the plethora of metal-catalyzed cross-coupling methods available for the installation of functional groups on aromatic hydrocarbons, a comparable variety of methods are currently not available for icosahedral carboranes, which are boron-rich three-dimensional aromatic analogues of aryl groups. Part of this is due to the limited understanding of the elementary steps for cross-coupling involving carboranes. Here, we report our efforts in isolating metal-boryl complexes to further our understanding of one of these elementary steps, oxidative addition. Structurally characterized examples of group 10 M-B bonds featuring icosahedral carboranes are completely unknown. Use of mercurocarboranes as a reagent to deliver M-B bonds saw divergent reactivity for platinum and palladium, with a Pt-B bond being isolated for the former, and a rare Pd-Hg bond being formed for the latter. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Properties- and applications of quasicrystals and complex metallic alloys.

PubMed

Dubois, Jean-Marie

2012-10-21

This article aims at an account of what is known about the potential for applications of quasicrystals and related compounds, the so-called family of Complex Metallic Alloys (CMAs‡). Attention is focused at aluminium-based CMAs, which comprise a large number of crystalline compounds and quasicrystals made of aluminium alloyed with transition metals (like Fe or Cu) or normal metals like Mg. Depending on composition, the structural complexity varies from a few atoms per unit cell up to thousands of atoms. Quasicrystals appear then as CMAs of ultimate complexity and exhibit a lattice that shows no periodicity anymore in the usual 3-dimensional space. Properties change dramatically with lattice complexity and turn the metal-type behaviour of simple Al-based crystals into a far more complex behaviour, with a fingerprint of semi-conductors that may be exploited in various applications, potential or realised. An account of the ones known to the author is given in the light of the relevant properties, namely light absorption, reduced adhesion and friction, heat insulation, reinforcement of composites for mechanical devices, and few more exotic ones. The role played by the search for applications of quasicrystals in the development of the field is briefly addressed in the concluding section.

Pd surface and Pt subsurface segregation in Pt1-c Pd c nanoalloys

NASA Astrophysics Data System (ADS)

De Clercq, A.; Giorgio, S.; Mottet, C.

2016-02-01

The structure and chemical arrangement of Pt1-c Pd c nanoalloys with the icosahedral and face centered cubic symmetry are studied using Monte Carlo simulations with a tight binding interatomic potential fitted to density-functional theory calculations. Pd surface segregation from the lowest to the highest coordinated sites is predicted by the theory together with a Pt enrichment at the subsurface, whatever the structure and the size of the nanoparticles, and which subsists when increasing the temperature. The onion-shell chemical configuration is found for both symmetries and is initiated from the Pd surface segregation. It is amplified in the icosahedral symmetry and small sizes but when considering larger sizes, the oscillating segregation profile occurs near the surface on about three to four shells whatever the structure. Pd segregation results from the significant lower cohesive energy of Pd as compared to Pt and the weak ordering tendency leads to the Pt subsurface segregation. The very weak size mismatch does not prevent the bigger atoms (Pt) from occupying subsurface sites which are in compression whereas the smaller ones (Pd) occupy the central site of the icosahedra where the compression is an order of magnitude higher.

Crystallographic features of the approximant H (Mn7Si2V) phase in the Mn-Si-V alloy system

NASA Astrophysics Data System (ADS)

Nakayama, Kei; Komatsuzaki, Takumi; Koyama, Yasumasa

2018-07-01

The intermetallic compound H (Mn7Si2V) phase in the Mn-Si-V alloy system can be regarded as an approximant phase of the dodecagonal quasicrystal as one of the two-dimensional quasicrystals. To understand the features of the approximant H phase, in this study, the crystallographic features of both the H phase and the (σ → H) reaction in Mn-Si-V alloy samples were investigated, mainly by transmission electron microscopy. It was found that, in the H phase, there were characteristic structural disorders with respect to an array of a dodecagonal structural unit consisting of 19 dodecagonal atomic columns. Concretely, penetrated structural units consisting of two dodecagonal structural units were presumed to be typical of such disorders. An interesting feature of the (σ → H) reaction was that regions with a rectangular arrangement of penetrated structural units (RAPU) first appeared in the σ matrix as the initial state, and H regions were then nucleated in contact with RAPU regions. The subsequent conversion of RAPU regions into H regions eventually resulted in the formation of the approximant H state as the final state. Furthermore, atomic positions in both the H structure and the dodecagonal quasicrystal were examined using a simple plane-wave model with 12 plane waves.

Well-Coupled Nanohybrids Obtained by Component-Controlled Synthesis and in Situ Integration of Mn xPd y Nanocrystals on Vulcan Carbon for Electrocatalytic Oxygen Reduction.

PubMed

Lu, Yanan; Zhao, Shulin; Yang, Rui; Xu, Dongdong; Yang, Jing; Lin, Yue; Shi, Nai-En; Dai, Zhihui; Bao, Jianchun; Han, Min

2018-03-07

Development of cheap, highly active, and robust bimetallic nanocrystal (NC)-based nanohybrid (NH) electrocatalysts for oxygen reduction reaction (ORR) is helpful for advancing fuel cells or other renewable energy technologies. Here, four kinds of well-coupled Mn x Pd y (MnPd 3 , MnPd-Pd, Mn 2 Pd 3 , Mn 2 Pd 3 -Mn 11 Pd 21 )/C NHs have been synthesized by in situ integration of Mn x Pd y NCs with variable component ratios on pretreated Vulcan XC-72 C using the solvothermal method accompanied with annealing under Ar/H 2 atmosphere and used as electrocatalysts for ORR. Among them, the MnPd 3 /C NHs possess the unique "half-embedded and half-encapsulated" interfaces and exhibit the highest catalytic activity, which can compete with some currently reported non-Pt catalysts (e.g., Ag-Co nanoalloys, Pd 2 NiAg NCs, PdCo/N-doped porous C, G-Cu 3 Pd nanocomposites, etc.), and close to commercial Pt/C. Electrocatalytic dynamic measurements disclose that their ORR mechanism abides by the direct 4e - pathway. Moreover, their durability and methanol-tolerant capability are much higher than that of Pt/C. As revealed by spectroscopic and electrochemical analyses, the excellent catalytic performance of MnPd 3 /C NHs results from the proper component ratio of Mn and Pd and the strong interplay of their constituents, which not only facilitate to optimize the d-band center or the electronic structure of Pd but also induce the phase transformation of MnPd 3 active components and enhance their conductivity or interfacial electron transfer dynamics. This work demonstrates that MnPd 3 /C NHs are promising methanol-tolerant cathode electrocatalysts that may be employed in fuel cells or other renewable energy option.

Novel Hybrid Catalyst for the Oxidation of Organic Acids: Pd Nanoparticles Supported on Mn-N-3D-Graphene Nanosheets

DOE PAGES

Perry, Albert; Kabir, Sadia; Matanovic, Ivana; ...

2017-06-16

This paper reports the fabrication and electrochemical performance of a hybrid catalyst composed of Pd nanoparticles and atomically dispersed Mn active centers integrated into the nitrogen-doped three-dimensional graphene nanosheets (Pd/Mn-N-3D-GNS). Our results show that the synergistic integration of both Pd nanoparticles and atomically dispersed Mn can be used to enhance the activity toward the electrochemical oxidation of organic acids at biologically relevant pH values. The hybrid catalyst (Pd/Mn-N-3D-GNS) showed increased maximum currents toward the oxidation of oxalic acid when compared to its individual catalysts, namely, Pd/3D-GNS and Mn N-3D-GNS catalysts. The hybrid also showed a decreased onset potential for oxidationmore » of mesoxalic acid as compared to Mn-N-3D-GNS and decreased onset potentials for the oxidation of glyoxalic acid when compared to both of its constituent catalysts. Oxidation of formic acid was also tested and the hybrid was shown to catalyze both dehydration and dehydrogenation mechanisms of formic acid electro-oxidation. Using density functional theory calculations, it was elucidated that a two-site catalysis most likely promotes dehydrogenation reaction for formic acid oxidation, which can explain the selectivity of Pd nanoparticles and atomically dispersed Mn towards the dehydrogenation/ dehydration pathway.« less

Novel Hybrid Catalyst for the Oxidation of Organic Acids: Pd Nanoparticles Supported on Mn-N-3D-Graphene Nanosheets

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

Perry, Albert; Kabir, Sadia; Matanovic, Ivana

This paper reports the fabrication and electrochemical performance of a hybrid catalyst composed of Pd nanoparticles and atomically dispersed Mn active centers integrated into the nitrogen-doped three-dimensional graphene nanosheets (Pd/Mn-N-3D-GNS). Our results show that the synergistic integration of both Pd nanoparticles and atomically dispersed Mn can be used to enhance the activity toward the electrochemical oxidation of organic acids at biologically relevant pH values. The hybrid catalyst (Pd/Mn-N-3D-GNS) showed increased maximum currents toward the oxidation of oxalic acid when compared to its individual catalysts, namely, Pd/3D-GNS and Mn N-3D-GNS catalysts. The hybrid also showed a decreased onset potential for oxidationmore » of mesoxalic acid as compared to Mn-N-3D-GNS and decreased onset potentials for the oxidation of glyoxalic acid when compared to both of its constituent catalysts. Oxidation of formic acid was also tested and the hybrid was shown to catalyze both dehydration and dehydrogenation mechanisms of formic acid electro-oxidation. Using density functional theory calculations, it was elucidated that a two-site catalysis most likely promotes dehydrogenation reaction for formic acid oxidation, which can explain the selectivity of Pd nanoparticles and atomically dispersed Mn towards the dehydrogenation/ dehydration pathway.« less

Effects of crystalline electronic field and onsite interorbital interaction in Yb-based quasicrystal and approximant crystal.

PubMed

Watanabe, Shinji; Miyake, Kazumasa

2018-05-10

To get an insight into a new type of quantum critical phenomena recently discovered in the quasicrystal Yb 15 Al 34 Au 51 and approximant crystal (AC) Yb 14 Al 35 Au 51 under pressure, we discuss the property of the crystalline electronic field (CEF) at Yb in the AC and show that uneven CEF levels at each Yb site can appear because of the Al/Au mixed sites. Then we construct the minimal model for the electronic state on the AC by introducing the onsite Coulomb repulsion between the 4f and 5d orbitals at Yb. Numerical calculations for the ground state shows that the lattice constant dependence of the Yb valence well explains the recent measurement done by systematic substitution of elements of Al and Au in the quasicrystal and AC, where the quasicrystal Yb 15 Al 34 Au 51 is just located at the point from where the Yb-valence starts to change drastically. Our calculation convincingly demonstrates that this is indeed the evidence that this material is just located at the quantum critical point of the Yb-valence transition.

Effects of crystalline electronic field and onsite interorbital interaction in Yb-based quasicrystal and approximant crystal

NASA Astrophysics Data System (ADS)

Watanabe, Shinji; Miyake, Kazumasa

2018-05-01

To get an insight into a new type of quantum critical phenomena recently discovered in the quasicrystal Yb15Al34Au51 and approximant crystal (AC) Yb14Al35Au51 under pressure, we discuss the property of the crystalline electronic field (CEF) at Yb in the AC and show that uneven CEF levels at each Yb site can appear because of the Al/Au mixed sites. Then we construct the minimal model for the electronic state on the AC by introducing the onsite Coulomb repulsion between the 4f and 5d orbitals at Yb. Numerical calculations for the ground state shows that the lattice constant dependence of the Yb valence well explains the recent measurement done by systematic substitution of elements of Al and Au in the quasicrystal and AC, where the quasicrystal Yb15Al34Au51 is just located at the point from where the Yb-valence starts to change drastically. Our calculation convincingly demonstrates that this is indeed the evidence that this material is just located at the quantum critical point of the Yb-valence transition.

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

Huang, Huogen; Chen, Liang

Ti-Zr-Ni quasicrystals have been demonstrated to store a large number of hydrogen atoms, which implies strong potential application in hydrogen energy field for them. However, the desorption of hydrogen atoms in the quasicrystals is quite difficult, with the indication of high desorption temperature and slow desorption rate. The shortage limits their use in the field to a large extent. But this kind of quasicrystals might be used in nuclear fusion energy field, because tritium as a coral fuel for nuclear fusion needs tight storage. However, equilibrium pressure at room temperature of Ti-Zr-Ni quasicrystals, important for their application in fusion energymore » field, has not been clear yet. In this work, we designed a gas-solid reaction system with the pressure resolution of 10{sup −8}Pa and carried out hydrogen desorption investigation at different temperatures on Ti{sub 36}Zr{sub 40}Ni{sub 20}Pd{sub 4} icosahedral quasicrystal. Based on three Pressure-Composition-Temperature desorption curves, we speculate according to Van’t Hoff theory about hydrogen storage that its equilibrium pressure at room temperature could be at the magnitude of 10{sup −6}Pa, displaying good stability of hydrogen in the quasicrystal and also implying application prospects in fusion energy field for quasicrystals of this type.« less

Magnetic properties of mechanically alloyed Mn-Al-C powders

NASA Astrophysics Data System (ADS)

Kohmoto, O.; Kageyama, N.; Kageyama, Y.; Haji, H.; Uchida, M.; Matsushima, Y.

2011-01-01

We have prepared supersaturated-solution Mn-Al-C alloy powders by mechanical alloying using a planetary high-energy mill. The starting materials were pure Mn, Al and C powers. The mechanically-alloyed powders were subjected to a two-step heating. Although starting particles are Al and Mn with additive C, the Al peak disappears with MA time. With increasing MA time, transition from α-Mn to β-Mn does not occur; the α-Mn structure maintains. At 100 h, a single phase of supersaturated-solution α-Mn is obtained. The lattice constant of α-Mn decreases with increasing MA time. From the Scherrer formula, the crystallite size at 500 h is obtained as 200Å, which does not mean amorphous state. By two-step heating, high magnetization (66 emu/g) was obtained from short-time-milled powders (t=10 h). The precursor of the as-milled powder is not a single phase α-Mn but contains small amount of fcc Al. After two-step heating, the powder changes to τ-phase. Although the saturation magnetization increases, the value is less than that by conventional bulk MnAl (88 emu/g). Meanwhile, long-time-milled powder of single α-Mn phase results in low magnetization (5.2 emu/g) after two-step heating.

Rheed Investigation of Pd/Al Bimetallic System on KCl(001) Substrate

NASA Astrophysics Data System (ADS)

Masek, K.; Moroz, V.; Matolín, V.

Pd/Al alloys have very interesting properties from the point of view of their possible application in heterogeneous catalysis. Preparation of small heteroepitaxial Pd/Al alloy particles opens a new way in studies of the influence of Pd/Al crystallographic structure on the alloy catalytic properties. Pd/Al alloy particles were grown by the molecular beam epitaxy method. Their crystallographical structure was controlled by reflection high energy electron diffraction (RHEED). It was found that Pd deposited on epitaxial 3D Al particles grown on KCl is intermixing with Al. This process is accompanied by the variation of lattice parameter from the Al value to the Pd one.

First-Principles Study on the Ferromagnetism and Curie Temperature of Mn-Doped AlX and InX (X=N, P, As, and Sb)

NASA Astrophysics Data System (ADS)

Sato, Kazunori; Dederichs, Peter H.; Katayama-Yoshida, Hiroshi

2007-02-01

We investigate the electronic structure and magnetic properties of AlN-, AlP-, AlAs-, AlSb-, InN-, InP-, InAs-, and InSb-based dilute magnetic semiconductors (DMS) with Mn impurities from first-principles. The electronic structure of DMS is calculated by using the Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) method in connection with the local density approximation (LDA) and the LDA+U method. Describing the magnetic properties by a classical Heisenberg model, effective exchange interactions are calculated by applying magnetic force theorem for two impurities embedded in the CPA medium. With the calculated exchange interactions, TC is estimated by using the mean field approximation, the random phase approximation and the Monte Carlo simulation. It is found that the p-d exchange model [Dietl et al.: Science 287 (2000) 1019] is adequate for a limited class of DMS and insufficient to describe the ferromagnetism in wide gap semiconductor based DMS such as (Ga,Mn)N and the presently investigated (Al,Mn)N and (In,Mn)N.

Bond strength and interface energy between Pd membranes and TiAl supports

NASA Astrophysics Data System (ADS)

Gong, H. R.; He, Y. H.; Huang, B. Y.

2008-09-01

Intermetallic TiAl alloy is proposed as a promising support for Pd membranes. First principles calculations reveal that coherent Pd/TiAl interfaces possess high values of bond strengths. Calculations also show that Ti-terminated (100) Pd/(100) TiAl and (110) Pd/(110) TiAl interfaces are energetically favorable with negative interface energies of about -3.1 J/m2, and that the bond strengths of Pd-Ti are bigger than those of Pd-Al. In addition, densities of states calculations suggest that a stronger chemical bonding is formed in the Pd/TiAl interface than corresponding Pd or TiAl bulks, which agrees well with similar experimental observations in literature.

XPS and EELS characterization of Mn2SiO4, MnSiO3 and MnAl2O4

NASA Astrophysics Data System (ADS)

Grosvenor, A. P.; Bellhouse, E. M.; Korinek, A.; Bugnet, M.; McDermid, J. R.

2016-08-01

X-ray Photoelectron Spectroscopy (XPS) and Electron Energy Loss Spectroscopy (EELS) are strong candidate techniques for characterizing steel surfaces and substrate-coating interfaces when investigating the selective oxidation and reactive wetting of advanced high strength steels (AHSS) during the continuous galvanizing process. However, unambiguous identification of ternary oxides such as Mn2SiO4, MnSiO3, and MnAl2O4 by XPS or EELS, which can play a significant role in substrate reactive wetting, is difficult due to the lack of fully characterized standards in the literature. To resolve this issue, samples of Mn2SiO4, MnSiO3 and MnAl2O4 were synthesized and characterized by XPS and EELS. The unique features of the XPS and EELS spectra for the Mn2SiO4, MnSiO3 and MnAl2O4 standards were successfully derived, thereby allowing investigators to fully differentiate and identify these oxides at the surface and subsurface of Mn, Si and Al alloyed AHSS using these techniques.

Mn induced 1 × 2 reconstruction in the τ-MnAl(0 0 1) surface

NASA Astrophysics Data System (ADS)

Guerrero-Sánchez, J.; Takeuchi, Noboru

2018-05-01

We report on first principles total energy calculations to describe the structural, electronic and magnetic properties of MnAl(0 0 1) surfaces. We have concentrated in structural models having 1 × 1 and 1 × 2 periodicities, since recent experiments of the similar MnGa(0 0 1) surface have found 1 × 1 and 1 × 2 reconstructions. Our calculations show the existence of two stable structures for different ranges of chemical potential. A 1 × 1 surface is stable for Al-rich conditions, whereas a Mn-induced 1 × 2 reconstruction appears after increasing the Mn chemical potential up to Mn-rich conditions. It is important to notice that experimentally, Mn rich conditions are important for improved magnetic properties. The Mn layers in both structures have ferromagnetic arrangements, but they are aligned antiferromagnetically with the almost no magnetic Al atoms. Moreover, the on top Mn atoms, which produce the 1 × 2 reconstruction, align antiferromagnetically with the second layer Mn atoms. These findings are similar to those obtained experimentally in MnGa thin films grown by molecular beam epitaxy. Therefore, this method could also be used to grow the proposed MnAl films.

Czochralski growth of LaPd2Al2 single crystals

NASA Astrophysics Data System (ADS)

Doležal, P.; Rudajevová, A.; Vlášková, K.; Kriegner, D.; Václavová, K.; Prchal, J.; Javorský, P.

2017-10-01

The present study is focused on the preparation of single crystalline LaPd2Al2 by the Czochralski method. Differential scanning calorimetry (DSC) and energy dispersive X-ray spectroscopy (EDX) analyses reveal that LaPd2Al2 is an incongruently melting phase which causes difficulties for the preparation of single crystalline LaPd2Al2 by the Czochralski method. Therefore several non-stoichiometric polycrystalline samples were studied for its preparation. Finally the successful growth of LaPd2Al2 without foreign phases has been achieved by using a non-stoichiometric precursor with atomic composition 22:39:39 (La:Pd:Al). X-ray powder diffraction, EDX analysis and DSC were used for the characterisation. A single crystalline sample was separated from the ingot prepared by the Czochralski method using the non-stoichiometric precursor. The presented procedure for the preparation of pure single phase LaPd2Al2 could be modified for other incongruently melting phases.

Synthesis, characterization and electrochemical performance of Al-substituted Li₂MnO₃

DOE PAGES

Dhital, Chetan; Huq, Ashfia; Paranthaman, Mariappan Parans; ...

2015-08-08

Li 2MnO 3 is known to be electrochemically inactive due to Mn in tetravalent oxidation state. Several compositions such as Li 2MnO 3 , Li 1.5Al 0.17MnO 3, Li 1.0Al 0.33MnO 3 and Li 0.5Al 0.5MnO 3 were synthesized by a sol–gel Pechini method. All the samples were characterized with x-ray diffraction, Raman, x-ray photoelectron spectroscopy, scanning electron microscopy, Tap density and BET analyzer. X-ray diffraction patterns indicated the presence of monoclinic phase for pristine Li 2MnO 3and mixed monoclinic/spinel phases (Li 2 - xMn 1 - yAl x + yO 3 + z) for Al-substituted Li 2MnO 3compounds. Themore » Al substitution seems to occur both at Li and Mn sites, which could explain the presence of spinel phase. X-ray photoelectron spectroscopy for Mn 2p orbital reveals a significant decrease in binding energy for Li 1.0Al 0.33MnO 3 and Li 0.5Al 0.5MnO 3 compounds. Cyclic voltammetry, charge/discharge cycles and electrochemical impedance spectroscopy were also performed. A discharge capacity of 24 mAh g -1 for Li 2MnO 3, 68 mAh g -1 for Li 1.5Al 0.17MnO 3, 58 mAh g -1 for Li 1.0Al 0.33MnO 3 and 74 mAh g -1 for Li 0.5Al 0.5MnO 3 were obtained. As a result, aluminum substitutions increased the formation of spinel phase which is responsible for cycling.« less

Elastocaloric effect in CuAlZn and CuAlMn shape memory alloys under compression

PubMed Central

Qian, Suxin; Wang, Yi; Pillsbury, Thomas E.; Hada, Yoshiharu; Yamaguchi, Yuki; Fujimoto, Kenjiro; Hwang, Yunho; Radermacher, Reinhard; Cui, Jun; Yuki, Yoji; Toyotake, Koutaro; Takeuchi, Ichiro

2016-01-01

This paper reports the elastocaloric effect of two Cu-based shape memory alloys: Cu68Al16Zn16 (CuAlZn) and Cu73Al15Mn12 (CuAlMn), under compression at ambient temperature. The compression tests were conducted at two different rates to approach isothermal and adiabatic conditions. Upon unloading at a strain rate of 0.1 s−1 (adiabatic condition) from 4% strain, the highest adiabatic temperature changes (ΔTad) of 4.0 K for CuAlZn and 3.9 K for CuAlMn were obtained. The maximum stress and hysteresis at each strain were compared. The stress at the maximum recoverable strain of 4.0% for CuAlMn was 120 MPa, which is 70% smaller than that of CuAlZn. A smaller hysteresis for the CuAlMn alloy was also obtained, about 70% less compared with the CuAlZn alloy. The latent heat, determined by differential scanning calorimetry, was 4.3 J g−1 for the CuAlZn alloy and 5.0 J g−1 for the CuAlMn alloy. Potential coefficients of performance (COPmat) for these two alloys were calculated based on their physical properties of measured latent heat and hysteresis, and a COPmat of approximately 13.3 for CuAlMn was obtained. This article is part of the themed issue ‘Taking the temperature of phase transitions in cool materials’. PMID:27402936

Kinetic parameters and structural variations in Cu-Al-Mn and Cu-Al-Mn-Mg shape memory alloys

NASA Astrophysics Data System (ADS)

Canbay, Canan Aksu

2017-02-01

In this work polycrystalline Cu-Al-Mn and Cu-Al-Mn-Mg SMAs were fabricated by arc melting. The thermal analysis was made to determine the characteristic transformation temperatures of the samples and kinetic parameters. Also the effect of Mg on transformation temperatures and kinetic parameters detected. The structural analysis was made to designate the diffraction planes of martensite phase at room temperature and this was supported by optical measurement observations.

Atomic structure solution of the complex quasicrystal approximant Al77Rh15Ru8 from electron diffraction data.

PubMed

Samuha, Shmuel; Mugnaioli, Enrico; Grushko, Benjamin; Kolb, Ute; Meshi, Louisa

2014-12-01

The crystal structure of the novel Al77Rh15Ru8 phase (which is an approximant of decagonal quasicrystals) was determined using modern direct methods (MDM) applied to automated electron diffraction tomography (ADT) data. The Al77Rh15Ru8 E-phase is orthorhombic [Pbma, a = 23.40 (5), b = 16.20 (4) and c = 20.00 (5) Å] and has one of the most complicated intermetallic structures solved solely by electron diffraction methods. Its structural model consists of 78 unique atomic positions in the unit cell (19 Rh/Ru and 59 Al). Precession electron diffraction (PED) patterns and high-resolution electron microscopy (HRTEM) images were used for the validation of the proposed atomic model. The structure of the E-phase is described using hierarchical packing of polyhedra and a single type of tiling in the form of a parallelogram. Based on this description, the structure of the E-phase is compared with that of the ε6-phase formed in Al-Rh-Ru at close compositions.

3-dimensional indexation of the icosahedral diffraction pattern using the techniques of electron microscopy

NASA Astrophysics Data System (ADS)

Bourdillon, Antony

2012-11-01

The following facts about icosahedra need wider attention. 1) The golden section τ is as fundamental to the icosahedral structure (length /edge) as π is to the sphere (circumference /diameter). 2) The diffraction series are in restricted Fibonacci order because the ratio of adjacent terms fn/fn-1 does not vary, but is the constant τ. The series is therefore geometric. 3) Because of the tetragonal subgroup in the icosahedral point group symmetry, many axes in the icosahedral structure have identical orientation to axes in the face centered cubic matrix of Al6Mn [1] (e.g. [100] and [111]). On these bases, a three dimensional stereographic projection will be presented. 4) A quasi-Bragg law is derived that correctly represents the diffraction series in powers of τ [2]. Furthermore, by employing the normal conventions of electron microscopy, all diffraction patterns are completely indexed in three dimensions. These are the topic of this presentation. Significant consequences will be presented elsewhere: 1) The diffraction pattern intensities near all main axes are correctly simulated, and all atoms are located on a specimen image. 2) The quasi-Bragg law has a special metric. Atomic locations are consistently calculated for the first time. 3) Whereas the Bragg law transforms a crystal lattice in real space into a reciprocal lattice in diffraction space, the quasi-Bragg law transforms a geometric diffraction pattern into a hierarchic structure. 4) Hyperspatial indexation [3] is superceded. [1] Shechtman, D.; Blech, I.; Gratias, D.; Cahn, J.W., Metallic phase with long-range orientational order and no translational symmetry, Phys. Rev. Lett., 1984, 53, 1951-3. [2] Bourdillon, A. J., Nearly free electron band structures in a logarithmically periodic solid, Sol. State Comm. 2009, 149, 1221-1225. [3] Duneau, M., and Katz, A., Phys Rev Lett 54, 2688-2691

Crystal structure of hexagonal MnAl(4).

PubMed

Pauling, L

1987-06-01

A structure is proposed for the hexagonal form of MnAl(4), with a(H) = 28.4 A and c(H) = 12.43 A, on the basis of a high-resolution electron micrograph and comparison with crystals of known structures. The proposed structure involves seven 104-atom complexes of 20 Friauf polyhedra, sharing some atoms with one another. It is closely related to the 23.36-A cubic structure of MnAl(4) and to the 14.19-A cubic structure of Mg(32)(Al,Zn)(49).

CaMn 2Al 10: Itinerant Mn magnetism on the verge of magnetic order

DOE PAGES

Steinke, L.; Simonson, J. W.; Yin, W. -G.; ...

2015-07-24

We report the discovery of CaMn 2Al 10, a metal with strong magnetic anisotropy and moderate electronic correlations. Magnetization measurements find a Curie-Weiss moment of 0.83 μB/Mn, significantly reduced from the Hund's rule value, and the magnetic entropy obtained from specific heat measurements is correspondingly small, only ≈ 9% of Rln2. These results imply that the Mn magnetism is highly itinerant, a conclusion supported by density functional theory calculations that find strong Mn-Al hybridization. Consistent with the layered nature of the crystal structure, the magnetic susceptibility χ is anisotropic below 20 K, with a maximum ratio of χ [010]/χ [001]more » ≈ 3.5. A strong power-law divergence χ(T) ~ T –1.2 below 20 K implies incipient ferromagnetic order, an Arrott plot analysis of the magnetization suggests a vanishing low Curie temperature T C ~ 0. Our experiments indicate that CaMn 2Al 10 is a rare example of a system where the weak and itinerant Mn-based magnetism is poised on the verge of order.« less

CONSTITUTIVE BEHAVIOR OF AS-QUENCHED Al-Cu-Mn ALLOY

NASA Astrophysics Data System (ADS)

Yang, Xia-Wei; Zhu, Jing-Chuan; Nong, Zhi-Sheng; Ye, Mao; Lai, Zhong-Hong; Liu, Yong

2013-07-01

The hot flow stress of as-quenched Al-Cu-Mn alloy was modeled using the constitutive equations. The as-quenched Al-Cu-Mn alloy were treated with isothermal hot compression tests in the temperature range of 350-500°C, the strain rate range of 0.001-1 s-1. The hyperbolic sine equation was found to be appropriate for flow stress modeling and prediction. Based on the hyperbolic sine equation, a constitutive equation is a relation between 0.2 pct yield stress and deformation conditions (strain rate and deformation temperature) was established. The corresponding hot deformation activation energy (Q) for as-quenched Al-Cu-Mn alloy was determined to be 251.314 kJ/mol. Parameters of constitutive equation of as-quenched Al-Cu-Mn alloy were calculated at different small strains (≤ 0.01). The calculated flow stresses from the constitutive equation are in good agreement with the experimental results. Therefore, this constitutive equation can be used as an accurate temperature-stress model to solve the problems of quench distortion of Al-Cu-Mn alloy parts.

Crystal structure of hexagonal MnAl4

PubMed Central

Pauling, Linus

1987-01-01

A structure is proposed for the hexagonal form of MnAl4, with aH = 28.4 Å and cH = 12.43 Å, on the basis of a high-resolution electron micrograph and comparison with crystals of known structures. The proposed structure involves seven 104-atom complexes of 20 Friauf polyhedra, sharing some atoms with one another. It is closely related to the 23.36-Å cubic structure of MnAl4 and to the 14.19-Å cubic structure of Mg32(Al,Zn)49. Images PMID:16593837

Evaluation of Mn and Sn-Modified Pd-Ce-Based Catalysts for Low-Temperature Diesel Exhaust Oxidation

DOE PAGES

Wang, Chao; Binder, Andrew J.; Toops, Todd J.; ...

2016-12-07

Pd-impregnated Ce-based catalysts were tested for carbon monoxide (CO) and hydrocarbon (HC) oxidation under challenging low-temperature diesel combustion conditions. The results indicate that the light-off temperatures for CO over Pd/CeO 2, Pd/MnO x-CeO 2 (Pd/MC), and Pd/SnO 2-MnO x-CeO 2 (Pd/SMC) catalysts shift to higher temperatures in the presence of simulated diesel exhaust gas. The lowest T 50 for CO is observed over Pd/MC at 173 °C, whereas Pd/CeO 2 is shown to oxidize most of the HCs at temperatures below 400 °C. In all catalysts, the oxidation of HCs starts right after the onset of CO oxidation, revealing thatmore » the competitive adsorption of CO, NO, and alkenes controls the catalytic activity. Further evaluation of the catalytic activity in the presence of only CO and C 3H 6 reveals the immediate inhibiting effect of C 3H 6 at catalyst temperatures below 150 °C. In situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) experiments performed over Pd/CeO 2, Pd/MC, and Pd/SMC show that C 3H 6 inhibits the formation of carbonyl species on Pd n+ sites, which limits the catalytic activity for CO. Lastly, such inhibition is observed on all supports, implying that the activity is independent of oxygen storage capacity (OSC) or lattice oxygen reducibility of the supports in the presence of C 3H 6.« less

Evaluation of Mn and Sn-Modified Pd-Ce-Based Catalysts for Low-Temperature Diesel Exhaust Oxidation

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

Wang, Chao; Binder, Andrew J.; Toops, Todd J.

Pd-impregnated Ce-based catalysts were tested for carbon monoxide (CO) and hydrocarbon (HC) oxidation under challenging low-temperature diesel combustion conditions. The results indicate that the light-off temperatures for CO over Pd/CeO 2, Pd/MnO x-CeO 2 (Pd/MC), and Pd/SnO 2-MnO x-CeO 2 (Pd/SMC) catalysts shift to higher temperatures in the presence of simulated diesel exhaust gas. The lowest T 50 for CO is observed over Pd/MC at 173 °C, whereas Pd/CeO 2 is shown to oxidize most of the HCs at temperatures below 400 °C. In all catalysts, the oxidation of HCs starts right after the onset of CO oxidation, revealing thatmore » the competitive adsorption of CO, NO, and alkenes controls the catalytic activity. Further evaluation of the catalytic activity in the presence of only CO and C 3H 6 reveals the immediate inhibiting effect of C 3H 6 at catalyst temperatures below 150 °C. In situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) experiments performed over Pd/CeO 2, Pd/MC, and Pd/SMC show that C 3H 6 inhibits the formation of carbonyl species on Pd n+ sites, which limits the catalytic activity for CO. Lastly, such inhibition is observed on all supports, implying that the activity is independent of oxygen storage capacity (OSC) or lattice oxygen reducibility of the supports in the presence of C 3H 6.« less

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

NASA Astrophysics Data System (ADS)

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

2002-03-01

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

David Adler Lectureship Award in the Field of Materials Physics Talk: Surfaces of Quasicrystals

NASA Astrophysics Data System (ADS)

Thiel, Patricia

2010-03-01

Quasiperiodic order is recognized (in a utilitarian, rather than a mathematical sense) by the absence of periodicity, concurrent with a classically-forbidden rotational symmetry. It is quite beautiful, having captured the attention of scientists and artists alike. Following the discovery of quasiperiodic order in a real system,footnotetextD. Shechtman, I. Blech, D. Gratias, and J.W. Cahn, Phys. Rev. Lett. 53, 1951 (1984). many metallic alloys and intermetallics were found to exhibit this type of order on the atomic scale. More recently ``soft'' quasicrystals were discovered,footnotetextL. Bindi, P.J. Steinhardt, N. Yao, and P.J. Lu, Science 324, 1306 (2009). and nanocrystalline arrays were found to spontaneously adopt quasiperiodic order.footnotetextD.V. Talapin, E.V. Shevchenko, M.I. Bodnarchuk, X. Ye, J. Chen, and C.B. Murray, Nature 461 , 964 (2009). From a scientific perspective, quasicrystals are alluring because they allow us to test the relationship between atomic structure and physical properties. This talk deals with the ways in which our understanding of solid surfaces has been both enriched and challenged by these complex materials.footnotetextP. Thiel, Annu. Rev. Phys. Chem. (2008).^,footnotetextV. Fourn'ee, J. Ledieu, and P. Thiel, J. Phys: Condens. Matter. 20, 3310301 (2008). properties of the metallic quasicrystals originally generated interest because they were unusual.footnotetextJ.M. Dubois, Useful Quasicrystals(World Scientific, Singapore, 2005). For instance, among Al-rich alloys, the Al-based quasicrystalline phases exhibit puzzling resistance to surface oxidation. Also, Al-rich quasicrystals have surprisingly good and promising catalytic properties (e.g. for steam reforming of methanol).footnotetextA.P. Tsai and M. Yoshimura, Appl. Cat. A: General 214 , 237 (2001). Perhaps most famously, they exhibit low friction.^7 Comparisons with crystalline materials have established that these features are deeply related to the quasiperiodic atomic

RHEED and EELS study of Pd/Al bimetallic thin film growth on different α-Al 2O 3 substrates

NASA Astrophysics Data System (ADS)

Moroz, V.; Rajs, K.; Mašek, K.

2002-06-01

Pd/Al bimetallic thin films were grown by molecular beam epitaxy on single-crystalline α-Al 2O 3(0 0 0 1) and (1 1 2¯ 0) surfaces. Substrate and deposit crystallographic structures and evolution of deposit lattice parameter during the growth were studied by reflection high-energy electron diffraction. The electron energy loss spectroscopy was used as an auxiliary method for chemical analysis. The bimetallic films were prepared by successive deposition of both Pd and Al metals. The structure of Pd and Al deposits in early stages of the growth and its dependence on the preparation conditions were studied. Two phases of Pd clusters covered by Al overlayer have been found. The formation of Al overlayer strongly influenced the lattice parameter of Pd clusters.

The half-metallicity of LiMgPdSn-type quaternary Heusler alloys FeMnScZ (Z=Al, Ga, In): A first-principle study

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

Gao, Y. C., E-mail: gaoyc1963@126.com; Gao, X.

2015-05-15

Based on the first-principles calculations, quaternary Heusler alloys FeMnScZ (Z=Al, Ga, In) including its phase stability, band gap, the electronic structures and magnetic properties has been studied systematically. We have found that, in terms of the equilibrium lattice constants, FeMnScZ (Z=Al, Ga, In) are half-metallic ferrimagnets, which can sustain the high spin polarization under a very large amount of lattice distortions. The half-metallic band gap in FeMnScZ (Z=Al, Ga, In) alloys originates from the t{sub 1u}-t{sub 2g} splitting instead of the e{sub u}-t{sub 1u} splitting. The total magnetic moments are 3μB per unit cell for FeMnScZ (Z=Al, Ga, In) alloysmore » following the Slater–Pauling rule with the total number of valence electrons minus 18 rather than 24. According to the study, the conclusion can be drawn that all of these compounds which have a negative formation energy are possible to be synthesized experimentally.« less

The half-metallicity of LiMgPdSn-type quaternary Heusler alloys FeMnScZ (Z=Al, Ga, In): A first-principle study

NASA Astrophysics Data System (ADS)

Gao, Y. C.; Gao, X.

2015-05-01

Based on the first-principles calculations, quaternary Heusler alloys FeMnScZ (Z=Al, Ga, In) including its phase stability, band gap, the electronic structures and magnetic properties has been studied systematically. We have found that, in terms of the equilibrium lattice constants, FeMnScZ (Z=Al, Ga, In) are half-metallic ferrimagnets, which can sustain the high spin polarization under a very large amount of lattice distortions. The half-metallic band gap in FeMnScZ (Z=Al, Ga, In) alloys originates from the t1u-t2g splitting instead of the eu-t1u splitting. The total magnetic moments are 3μB per unit cell for FeMnScZ (Z=Al, Ga, In) alloys following the Slater-Pauling rule with the total number of valence electrons minus 18 rather than 24. According to the study, the conclusion can be drawn that all of these compounds which have a negative formation energy are possible to be synthesized experimentally.

The microstructure, mechanical stress, texture, and electromigration behavior of Al-Pd alloys

NASA Astrophysics Data System (ADS)

Rodbell, K. P.; Knorr, D. B.; Mis, J. D.

1993-06-01

As the minimum feature size of interconnect lines decreases below 0.5 urn, the need to control the line microstructure becomes increasingly important. The alloy content, deposition process, fabrication method, and thermal history all determine the microstructure of an interconnect, which, in turn, affects its performance and reliability. The motivation for this work was to characterize the microstructure of various sputtered Al-Pd alloys (Al-0.3wt.%Pd, Al-2Cu-0.3Pd, and Al-0.3Nb-0.3Pd) vs sputtered Al-Cu control samples (Al-0.5Cu and Al-2Cu) and to assess the role of grain size, mechanical stress, and crystallographic texture on the electromigration behavior of submicrometer wide lines. The grain size, mechanical stress, and texture of blanket films were measured as a function of annealing. The as-deposited film stress was tensile and followed a similar stress history on heating for all of the films; on cooling, however, significant differences were observed between the Al-Pd and Al-Cu films in the shape of their stress-temperature-curves. A strong (111) crystallographic texture was typically found for Al-Cu films deposited on SiO2. A stronger (111) texture resulted when Al-Cu was deposited on 25 nm titanium. Al-0.3Pd films, however, exhibited either a weak (111) or (220) texture when deposited on SiO2, which reverted to a strong (111) texture when deposited on 25 nm titanium. The electromigration lifetimes of passivated, ≈0.7 μm wide lines at 250°C and 2.5 × 106 A/cm2 for both single and multi-level samples (separated with W studs) are reported. The electromigration behavior of Al-0.3Pd was found to be less dependent on film microstructure than on the annealing atmosphere used, i.e. forming gas (90% N2-10%H2) annealed Al-0.3Pd films were superior to all of the alloys investigated, while annealing in only N2 resulted in poor lifetimes.

The corrosion behavior of Fe-Mn-Al weld metals

NASA Astrophysics Data System (ADS)

Aidun, Daryush K.

2001-02-01

The corrosion resistance of a newly developed iron-base, Fe-Mn-Al austenitic, and duplex weld metal has been examined in the NACE solution consisting of 5 wt.% NaCl, 0.5 wt.% acetic acid, and the balance distilled water. The electrochemical techniques such as potentiodynamic polarization, Tafel plots, linear polarization, cyclic polarization, and open-circuit potential versus time were employed. The Fe-Mn-Al weld metals did not passivate and exhibited high corrosion rates. Fe-Cr-Ni (310 and 316) weld and base metals were also examined in the NACE solution at room temperature. The 310 and 316 base metals were more resistant to corrosion than the as-welded 310 and 316 weld metals. Postweld heat treatment (PWHT) improved the corrosion performance of the Fe-Mn-Al weld metals. The corrosion resistance of Fe-Mn-Al weld metals after PWHT was still inferior to that of the 310 and 316 weld and base metals.

Perpendicular magnetic anisotropy in Mn2CoAl thin film

NASA Astrophysics Data System (ADS)

Sun, N. Y.; Zhang, Y. Q.; Fu, H. R.; Che, W. R.; You, C. Y.; Shan, R.

2016-01-01

Heusler compound Mn2CoAl (MCA) is attracting more attentions due to many novel properties, such as high resistance, semiconducting behavior and suggestion as a spin-gapless material with a low magnetic moment. In this work, Mn2CoAl epitaxial thin film was prepared on MgO(100) substrate by magnetron sputtering. The transport property of the film exhibits a semiconducting-like behavior. Moreover, our research reveals that perpendicular magnetic anisotropy (PMA) can be induced in very thin Mn2CoAl films resulting from Mn-O and Co-O bonding at Mn2CoAl/MgO interface, which coincides with a recent theoretical prediction. PMA and low saturation magnetic moment could lead to large spin-transfer torque with low current density in principle, and thus our work may bring some unanticipated Heusler compounds into spintronics topics such as the domain wall motion and the current-induced magnetization reversal.

Photonic quasi-crystal terahertz lasers

PubMed Central

Vitiello, Miriam Serena; Nobile, Michele; Ronzani, Alberto; Tredicucci, Alessandro; Castellano, Fabrizio; Talora, Valerio; Li, Lianhe; Linfield, Edmund H.; Davies, A. Giles

2014-01-01

Quasi-crystal structures do not present a full spatial periodicity but are nevertheless constructed starting from deterministic generation rules. When made of different dielectric materials, they often possess fascinating optical properties, which lie between those of periodic photonic crystals and those of a random arrangement of scatterers. Indeed, they can support extended band-like states with pseudogaps in the energy spectrum, but lacking translational invariance, they also intrinsically feature a pattern of ‘defects’, which can give rise to critically localized modes confined in space, similar to Anderson modes in random structures. If used as laser resonators, photonic quasi-crystals open up design possibilities that are simply not possible in a conventional periodic photonic crystal. In this letter, we exploit the concept of a 2D photonic quasi crystal in an electrically injected laser; specifically, we pattern the top surface of a terahertz quantum-cascade laser with a Penrose tiling of pentagonal rotational symmetry, reaching 0.1–0.2% wall-plug efficiencies and 65 mW peak output powers with characteristic surface-emitting conical beam profiles, result of the rich quasi-crystal Fourier spectrum. PMID:25523102

Photonic quasi-crystal terahertz lasers

NASA Astrophysics Data System (ADS)

Vitiello, Miriam Serena; Nobile, Michele; Ronzani, Alberto; Tredicucci, Alessandro; Castellano, Fabrizio; Talora, Valerio; Li, Lianhe; Linfield, Edmund H.; Davies, A. Giles

2014-12-01

Quasi-crystal structures do not present a full spatial periodicity but are nevertheless constructed starting from deterministic generation rules. When made of different dielectric materials, they often possess fascinating optical properties, which lie between those of periodic photonic crystals and those of a random arrangement of scatterers. Indeed, they can support extended band-like states with pseudogaps in the energy spectrum, but lacking translational invariance, they also intrinsically feature a pattern of ‘defects’, which can give rise to critically localized modes confined in space, similar to Anderson modes in random structures. If used as laser resonators, photonic quasi-crystals open up design possibilities that are simply not possible in a conventional periodic photonic crystal. In this letter, we exploit the concept of a 2D photonic quasi crystal in an electrically injected laser; specifically, we pattern the top surface of a terahertz quantum-cascade laser with a Penrose tiling of pentagonal rotational symmetry, reaching 0.1-0.2% wall-plug efficiencies and 65 mW peak output powers with characteristic surface-emitting conical beam profiles, result of the rich quasi-crystal Fourier spectrum.

Photonic quasi-crystal terahertz lasers.

PubMed

Vitiello, Miriam Serena; Nobile, Michele; Ronzani, Alberto; Tredicucci, Alessandro; Castellano, Fabrizio; Talora, Valerio; Li, Lianhe; Linfield, Edmund H; Davies, A Giles

2014-12-19

Quasi-crystal structures do not present a full spatial periodicity but are nevertheless constructed starting from deterministic generation rules. When made of different dielectric materials, they often possess fascinating optical properties, which lie between those of periodic photonic crystals and those of a random arrangement of scatterers. Indeed, they can support extended band-like states with pseudogaps in the energy spectrum, but lacking translational invariance, they also intrinsically feature a pattern of 'defects', which can give rise to critically localized modes confined in space, similar to Anderson modes in random structures. If used as laser resonators, photonic quasi-crystals open up design possibilities that are simply not possible in a conventional periodic photonic crystal. In this letter, we exploit the concept of a 2D photonic quasi crystal in an electrically injected laser; specifically, we pattern the top surface of a terahertz quantum-cascade laser with a Penrose tiling of pentagonal rotational symmetry, reaching 0.1-0.2% wall-plug efficiencies and 65 mW peak output powers with characteristic surface-emitting conical beam profiles, result of the rich quasi-crystal Fourier spectrum.

Quasicrystals: Making invisible materials

NASA Astrophysics Data System (ADS)

Boriskina, Svetlana V.

2015-07-01

All-dielectric photonic quasicrystals may act as zero-refractive-index homogeneous materials despite their lack of translational symmetry and periodicity, stretching wavelengths to infinity and offering applications in light wavefront sculpting and optical cloaking.

Effects of Mn and Al on the Intragranular Acicular Ferrite Formation in Rare Earth Treated C-Mn Steel

NASA Astrophysics Data System (ADS)

Song, Mingming; Song, Bo; Yang, Zhanbing; Zhang, Shenghua; Hu, Chunlin

2017-07-01

The influence of Al, Mn and rare earth (RE) on microstructure of C-Mn steel was investigated. The capacities of different RE inclusions to induce intragranular acicular ferrite (AF) formation were compared. Result shows that RE treatment could make C-Mn steel from large amounts of intragranular AF. Al killed is detrimental to the formation of intragranular AF in RE-treated C-Mn steel. An upper bainite structure would replace the AF when Al content increased to 0.027 mass %. The optimal Mn content to form AF is about 0.75-1.31 mass %. The effective RE inclusion which could induce AF nucleation is La2O2S. When patches of MnS are attached on the surface of La2O2S inclusion, AF nucleation capacity of RE-containing inclusion could enlarge obviously. The existence of manganese-depleted zone and low lattice misfit would be the main reason of La-containing inclusion inducing AF nucleation in C-Mn steel.

Effects of Mn addition on microstructure and hardness of Al-12.6Si alloy

NASA Astrophysics Data System (ADS)

Biswas, Prosanta; Patra, Surajit; Mondal, Manas Kumar

2018-03-01

In this work, eutectic Al-12.6Si alloy with and without manganese (Mn) have been developed through gravity casting route. The effect of Mn concentration (0.0 wt.%, 1 wt%, 2 wt% and 3 wt%) on microstructural morphology and hardness property of the alloy has been investigated. The eutectic Al-12.6 Si alloy exhibits the presence of combine plate, needle and rod-like eutectic silicon phase with very sharp corners and coarser primary silicon particles within the α-Al phase. In addition of 1wt.% of Mn in the eutectic Al-12.6Si alloy, sharp corners of the primary Si and needle-like eutectic Si are became blunt and particles size is reduced. Further, increase in Mn concentration (2.0 wt.%) in the Al-12.6Si alloy, irregular plate shape Al6(Mn,Fe) intermetallics are formed inside the α-Al phase, but the primary and eutectic phase morphology is similar to the eutectic Al-12.6Si alloy. The volume fraction of Al6(Mn,Fe) increases and Al6(Mn,Fe) particles appear as like chain structure in the alloy with 3 wt.% Mn. An increase in Mn concentration in the Al-12.6Si alloys result in the increase in bulk hardness of the alloy as an effects of microstructure modification as well as the presence of harder Al6(Mn,Fe) phase in the developed alloy.

A 3-D Finite-Volume Non-hydrostatic Icosahedral Model (NIM)

NASA Astrophysics Data System (ADS)

Lee, Jin

2014-05-01

The Nonhydrostatic Icosahedral Model (NIM) formulates the latest numerical innovation of the three-dimensional finite-volume control volume on the quasi-uniform icosahedral grid suitable for ultra-high resolution simulations. NIM's modeling goal is to improve numerical accuracy for weather and climate simulations as well as to utilize the state-of-art computing architecture such as massive parallel CPUs and GPUs to deliver routine high-resolution forecasts in timely manner. NIM dynamic corel innovations include: * A local coordinate system remapped spherical surface to plane for numerical accuracy (Lee and MacDonald, 2009), * Grid points in a table-driven horizontal loop that allow any horizontal point sequence (A.E. MacDonald, et al., 2010), * Flux-Corrected Transport formulated on finite-volume operators to maintain conservative positive definite transport (J.-L, Lee, ET. Al., 2010), *Icosahedral grid optimization (Wang and Lee, 2011), * All differentials evaluated as three-dimensional finite-volume integrals around the control volume. The three-dimensional finite-volume solver in NIM is designed to improve pressure gradient calculation and orographic precipitation over complex terrain. NIM dynamical core has been successfully verified with various non-hydrostatic benchmark test cases such as internal gravity wave, and mountain waves in Dynamical Cores Model Inter-comparisons Projects (DCMIP). Physical parameterizations suitable for NWP are incorporated into NIM dynamical core and successfully tested with multimonth aqua-planet simulations. Recently, NIM has started real data simulations using GFS initial conditions. Results from the idealized tests as well as real-data simulations will be shown in the conference.

Enhanced catalytic performance for methane combustion of 3DOM CoFe2O4 by co-loading MnOx and Pd-Pt alloy nanoparticles

NASA Astrophysics Data System (ADS)

Li, Xiangyu; Liu, Yuxi; Deng, Jiguang; Xie, Shaohua; Zhao, Xingtian; Zhang, Yang; Zhang, Kunfeng; Arandiyan, Hamidreza; Guo, Guangsheng; Dai, Hongxing

2017-05-01

Three-dimensionally ordered macroporous (3DOM) CoFe2O4, zMnOx/3DOM CoFe2O4 (z = 4.99-12.30 wt%), and yPd-Pt/6.70 wt% MnOx/3DOM CoFe2O4 (y = 0.44-1.81 wt%; Pd/Pt molar ratio = 2.1-2.2) have been prepared using the polymethyl methacrylate microspheres-templating, incipient wetness impregnation, and bubble-assisted polyvinyl alcohol-protected reduction strategies, respectively. All of the samples were characterized by means of various techniques. Catalytic performance of the samples was measured for methane combustion. It is shown that the as-prepared samples exhibited a high-quality 3DOM structure (103 ± 20 nm in pore size) and a surface area of 19-28 m2/g, and the noble metal or alloy nanoparticles (NPs) with a size of 2.2-3.0 nm were uniformly dispersed on the macropore wall surface of 3DOM CoFe2O4. The loading of MnOx on CoFe2O4 gave rise to a slight increase in activity, however, the dispersion of Pd-Pt NPs on 6.70MnOx/3DOM CoFe2O4 significantly enhanced the catalytic performance, with the 1.81Pd2.1Pt/6.70MnOx/3DOM CoFe2O4 sample showing the highest activity (T10% = 255 °C, T50% = 301 °C, and T90% = 372 °C at a space velocity of 20,000 mL/(g h)). We believe that the excellent catalytic activity of 1.81Pd2.1Pt/6.70MnOx/3DOM CoFe2O4 was related to its well-dispersed Pd-Pt alloy NPs, high adsorbed oxygen species concentration, good low-temperature reducibility, and strong interaction between MnOx or Pd-Pt NPs and 3DOM CoFe2O4.

Performance and Long-Term Stability of Pd/PSS and Pd/Al2O3 Membranes for Hydrogen Separation

PubMed Central

Liguori, Simona; Iulianelli, Adolfo; Dalena, Francesco; Pinacci, Pietro; Drago, Francesca; Broglia, Maria; Huang, Yan; Basile, Angelo

2014-01-01

The present work is focused on the investigation of the performance and long-term stability of two composite palladium membranes under different operating conditions. One membrane (Pd/porous stainless steel (PSS)) is characterized by a ~10 µm-thick palladium layer on a porous stainless steel substrate, which is pretreated by means of surface modification and oxidation; the other membrane (Pd/Al2O3) is constituted by a ~7 µm-thick palladium layer on an asymmetric microporous Al2O3 substrate. The operating temperature and pressure ranges, used for studying the performance of these two kinds of membranes, are 350–450 °C and 200–800 kPa, respectively. The H2 permeances and the H2/N2 selectivities of both membranes were investigated and compared with literature data. At 400 °C and 200 kPa as pressure difference, Pd/PSS and Pd/Al2O3 membranes exhibited an H2/N2 ideal selectivity equal to 11700 and 6200, respectively, showing stability for 600 h. Thereafter, H2/N2 selectivity of both membranes progressively decreased and after around 2000 h, dropped dramatically to 55 and 310 for the Pd/PSS and Pd/Al2O3 membranes, respectively. As evidenced by Scanning Electron Microscope (SEM) analyses, the pinholes appear on the whole surface of the Pd/PSS membrane and this is probably due to release of sulphur from the graphite seal rings. PMID:24957126

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.

Electromigration in Cu(Al) and Cu(Mn) damascene lines

NASA Astrophysics Data System (ADS)

Hu, C.-K.; Ohm, J.; Gignac, L. M.; Breslin, C. M.; Mittal, S.; Bonilla, G.; Edelstein, D.; Rosenberg, R.; Choi, S.; An, J. J.; Simon, A. H.; Angyal, M. S.; Clevenger, L.; Maniscalco, J.; Nogami, T.; Penny, C.; Kim, B. Y.

2012-05-01

The effects of impurities, Mn or Al, on interface and grain boundary electromigration (EM) in Cu damascene lines were investigated. The addition of Mn or Al solute caused a reduction in diffusivity at the Cu/dielectric cap interface and the EM activation energies for both Cu-alloys were found to increase by about 0.2 eV as compared to pure Cu. Mn mitigated and Al enhanced Cu grain boundary diffusion; however, no significant mitigation in Cu grain boundary diffusion was observed in low Mn concentration samples. The activation energies for Cu grain boundary diffusion were found to be 0.74 ± 0.05 eV and 0.77 ± 0.05 eV for 1.5 μm wide polycrystalline lines with pure Cu and Cu (0.5 at. % Mn) seeds, respectively. The effective charge number in Cu grain boundaries Z*GB was estimated from drift velocity and was found to be about -0.4. A significant enhancement in EM lifetimes for Cu(Al) or low Mn concentration bamboo-polycrystalline and near-bamboo grain structures was observed but not for polycrystalline-only alloy lines. These results indicated that the existence of bamboo grains in bamboo-polycrystalline lines played a critical role in slowing down the EM-induced void growth rate. The bamboo grains act as Cu diffusion blocking boundaries for grain boundary mass flow, thus generating a mechanical stress-induced back flow counterbalancing the EM force, which is the equality known as the "Blech short length effect."

Perpendicular magnetic anisotropy in Mn{sub 2}CoAl thin film

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

Sun, N. Y.; Zhang, Y. Q.; Che, W. R.

Heusler compound Mn{sub 2}CoAl (MCA) is attracting more attentions due to many novel properties, such as high resistance, semiconducting behavior and suggestion as a spin-gapless material with a low magnetic moment. In this work, Mn{sub 2}CoAl epitaxial thin film was prepared on MgO(100) substrate by magnetron sputtering. The transport property of the film exhibits a semiconducting-like behavior. Moreover, our research reveals that perpendicular magnetic anisotropy (PMA) can be induced in very thin Mn{sub 2}CoAl films resulting from Mn-O and Co-O bonding at Mn{sub 2}CoAl/MgO interface, which coincides with a recent theoretical prediction. PMA and low saturation magnetic moment could leadmore » to large spin-transfer torque with low current density in principle, and thus our work may bring some unanticipated Heusler compounds into spintronics topics such as the domain wall motion and the current-induced magnetization reversal.« less

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

NASA Astrophysics Data System (ADS)

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

2018-02-01

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

Tamm-plasmon polaritons in one-dimensional photonic quasi-crystals.

PubMed

Shukla, Mukesh Kumar; Das, Ritwick

2018-02-01

We present an investigation to ascertain the existence of Tamm-plasmon-polariton-like modes in one-dimensional (1D) quasi-periodic photonic systems. Photonic bandgap formation in quasi-crystals is essentially a consequence of long-range periodicity exhibited by multilayers and, thus, it can be explained using the dispersion relation in the Brillouin zone. Defining a "Zak"-like topological phase in 1D quasi-crystals, we propose a recipe to ascertain the existence of Tamm-like photonic surface modes in a metal-terminated quasi-crystal lattice. Additionally, we also explore the conditions of efficient excitation of such surface modes along with their dispersion characteristics.

Photonic crystals, amorphous materials, and quasicrystals.

PubMed

Edagawa, Keiichi

2014-06-01

Photonic crystals consist of artificial periodic structures of dielectrics, which have attracted much attention because of their wide range of potential applications in the field of optics. We may also fabricate artificial amorphous or quasicrystalline structures of dielectrics, i.e. photonic amorphous materials or photonic quasicrystals. So far, both theoretical and experimental studies have been conducted to reveal the characteristic features of their optical properties, as compared with those of conventional photonic crystals. In this article, we review these studies and discuss various aspects of photonic amorphous materials and photonic quasicrystals, including photonic band gap formation, light propagation properties, and characteristic photonic states.

Selective Hydrogenation of Acetylene and Physicochemical Properties of Pd-Fe/Al2O3 Bimetallic Catalysts

NASA Astrophysics Data System (ADS)

Stytsenko, V. D.; Mel'nikov, D. P.; Tkachenko, O. P.; Savel'eva, E. V.; Semenov, A. P.; Kustov, L. M.

2018-05-01

The selective hydrogenation of acetylene on Pd-Fe/Al2O3 catalysts prepared by decomposition of ferrocene on reduced Pd/Al2O3 was studied. The effect of the conditions of treatment of the Pd-ferrocene/ Al2O3 precursor on the catalyst activity and selectivity was investigated, and the optimum conditions were determined at which the Pd-Fe/Al2O3 catalyst has higher selectivity than Pd/Al2O3 without any loss of activity.

Energy transfer between Eu-Mn and photoluminescence properties of Ba0.75Al11O17.25-BaMgAl10O17:Eu2+,Mn2+ solid solution

NASA Astrophysics Data System (ADS)

Zhou, Jun; Wang, Yuhua; Liu, Bitao; Li, Feng

2010-08-01

In order to evaluate the energy transfer between Eu-Mn in Ba0.75Al11O17.25-BaMgAl10O17 solid solution, Ba0.75Al11O17.25-BaMgAl10O17:Eu2+,Mn2+ phosphors were prepared by flux method. The crystal structure and the morphology of the solid solution were demonstrated by x-ray dirrfactometer and scanning electron microscopy. The photoluminescence mechanisms were explained by the energy transfer of Eu2+ to Mn2+ and the Dexter theory. A redshift of green emission peak and a decrease in decay time with the increase in Mn2+ concentration were observed. These phenomena are attributed to the formation of Mn2+ paired centers after analysis by a method of Pade approximations.

Fabrication and Magnetic Properties of Co₂MnAl Heusler Alloys by Mechanical Alloying.

PubMed

Lee, Chung-Hyo

2018-02-01

We have applied mechanical alloying (MA) to produce nanocrystalline Co2MnAl Heusler alloys using a mixture of elemental Co50Mn25Al25 powders. An optimal milling and heat treatment conditions to obtain a Co2MnAl Heusler phase with fine microstructure were investigated by X-ray diffraction, differential scanning calorimeter and vibrating sample magnetometer measurements. α-(Co, Mn, Al) FCC phases coupled with amorphous phase are obtained after 3 hours of MA without any evidence for the formation of Co2MnAl alloys. On the other hand, a Co2MnAl Heusler alloys can be obtained by the heat treatment of all MA samples up to 650 °C. X-ray diffraction result shows that the average grain size of Co2MnAl Heusler alloys prepared by MA for 5 h and heat treatment is in the range of 95 nm. The saturation magnetization of MA powders decreases with MA time due to the magnetic dilution by alloying with nonmagnetic Mn and Al elements. The magnetic hardening due to the reduction of the grain size with ball milling is also observed. However, the saturation magnetization of MA powders after heat treatment increases with MA time and reaches to a maximum value of 105 emu/g after 5 h of MA. It can be also seen that the coercivity of 5 h MA sample annealed at 650 °C is fairly low value of 25 Oe.

Internal Friction of Austenitic Fe-Mn-C-Al Alloys

NASA Astrophysics Data System (ADS)

Lee, Young-Kook; Jeong, Sohee; Kang, Jee-Hyun; Lee, Sang-Min

2017-12-01

The internal friction (IF) spectra of Fe-Mn-C-Al alloys with a face-centered-cubic (fcc) austenitic phase were measured at a wide range of temperature and frequency ( f) to understand the mechanisms of anelastic relaxations occurring particularly in Fe-Mn-C twinning-induced plasticity steels. Four IF peaks were observed at 346 K (73 °C) (P1), 389 K (116 °C) (P2), 511 K (238 °C) (P3), and 634 K (361 °C) (P4) when f was 0.1 Hz. However, when f increased to 100 Hz, whereas P1, P2, and P4 disappeared, only P3 remained without the change in peak height, but with the increased peak temperature. P3 matches well with the IF peak of Fe-high Mn-C alloys reported in the literature. The effects of chemical composition and vacancy (v) on the four IF peaks were also investigated using various alloys with different concentrations of C, Mn, Al, and vacancy. As a result, the defect pair responsible for each IF peak was found as follows: a v-v pair for P1, a C-v pair for P2, a C-C pair for P3, and a C-C-v complex (major effect) + a Mn-C pair (minor effect) for P4. These results showed that the IF peaks of Fe-Mn-C-Al alloys reported previously were caused by the reorientation of C in C-C pairs, not by the reorientation of C in Mn-C pairs.

Quasicrystal-reinforced Mg alloys.

PubMed

Kyun Kim, Young; Tae Kim, Won; Hyang Kim, Do

2014-04-01

The formation of the icosahedral phase (I-phase) as a secondary solidification phase in Mg-Zn-Y and Mg-Zn-Al base systems provides useful advantages in designing high performance wrought magnesium alloys. The strengthening in two-phase composites (I-phase + α -Mg) can be explained by dispersion hardening due to the presence of I-phase particles and by the strong bonding property at the I-phase/matrix interface. The presence of an additional secondary solidification phase can further enhance formability and mechanical properties. In Mg-Zn-Y alloys, the co-presence of I and Ca 2 Mg 6 Zn 3 phases by addition of Ca can significantly enhance formability, while in Mg-Zn-Al alloys, the co-presence of the I-phase and Mg 2 Sn phase leads to the enhancement of mechanical properties. Dynamic and static recrystallization are significantly accelerated by addition of Ca in Mg-Zn-Y alloy, resulting in much smaller grain size and more random texture. The high strength of Mg-Zn-Al-Sn alloys is attributed to the presence of finely distributed Mg 2 Sn and I-phase particles embedded in the α -Mg matrix.

Soft materials design via self assembly of functionalized icosahedral particles

NASA Astrophysics Data System (ADS)

Muthukumar, Vidyalakshmi Chockalingam

In this work we simulate self assembly of icosahedral building blocks using a coarse grained model of the icosahedral capsid of virus 1m1c. With significant advancements in site-directed functionalization of these macromolecules [1], we propose possible application of such self-assembled materials for drug delivery. While there have been some reports on organization of viral particles in solution through functionalization, exploiting this behaviour for obtaining well-ordered stoichiometric structures has not yet been explored. Our work is in well agreement with the earlier simulation studies of icosahedral gold nanocrystals, giving chain like patterns [5] and also broadly in agreement with the wet lab works of Finn, M.G. et al., who have shown small predominantly chain-like aggregates with mannose-decorated Cowpea Mosaic Virus (CPMV) [22] and small two dimensional aggregates with oligonucleotide functionalization on the CPMV capsid [1]. To quantify the results of our Coarse Grained Molecular Dynamics Simulations I developed analysis routines in MATLAB using which we found the most preferable nearest neighbour distances (from the radial distribution function (RDF) calculations) for different lengths of the functional groups and under different implicit solvent conditions, and the most frequent coordination number for a virus particle (histogram plots further using the information from RDF). Visual inspection suggests that our results most likely span the low temperature limits explored in the works of Finn, M.G. et al., and show a good degree of agreement with the experimental results in [1] at an annealing temperature of 4°C. Our work also reveals the possibility of novel stoichiometric N-mer type aggregates which could be synthesized using these capsids with appropriate functionalization and solvent conditions.

Melting phenomena: effect of composition for 55-atom Ag-Pd bimetallic clusters.

PubMed

Cheng, Daojian; Wang, Wenchuan; Huang, Shiping

2008-05-14

Understanding the composition effect on the melting processes of bimetallic clusters is important for their applications. Here, we report the relationship between the melting point and the metal composition for the 55-atom icosahedral Ag-Pd bimetallic clusters by canonical Monte Carlo simulations, using the second-moment approximation of the tight-binding potentials (TB-SMA) for the metal-metal interactions. Abnormal melting phenomena for the systems of interest are found. Our simulation results reveal that the dependence of the melting point on the composition is not a monotonic change, but experiences three different stages. The melting temperatures of the Ag-Pd bimetallic clusters increase monotonically with the concentration of the Ag atoms first. Then, they reach a plateau presenting almost a constant value. Finally, they decrease sharply at a specific composition. The main reason for this change can be explained in terms of the relative stability of the Ag-Pd bimetallic clusters at different compositions. The results suggest that the more stable the cluster, the higher the melting point for the 55-atom icosahedral Ag-Pd bimetallic clusters at different compositions.

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

Photonic crystals, amorphous materials, and quasicrystals

PubMed Central

Edagawa, Keiichi

2014-01-01

Photonic crystals consist of artificial periodic structures of dielectrics, which have attracted much attention because of their wide range of potential applications in the field of optics. We may also fabricate artificial amorphous or quasicrystalline structures of dielectrics, i.e. photonic amorphous materials or photonic quasicrystals. So far, both theoretical and experimental studies have been conducted to reveal the characteristic features of their optical properties, as compared with those of conventional photonic crystals. In this article, we review these studies and discuss various aspects of photonic amorphous materials and photonic quasicrystals, including photonic band gap formation, light propagation properties, and characteristic photonic states. PMID:27877676

Probing of the pseudogap via thermoelectric properties in the Au-Al-Gd quasicrystal approximant

NASA Astrophysics Data System (ADS)

Ishikawa, Asuka; Takagiwa, Yoshiki; Kimura, Kaoru; Tamura, Ryuji

2017-03-01

The pseudogap of the recently discovered Au-Al-Gd quasicrystal approximant crystal (AC) is investigated over a wide electron-per-atom (e /a ) ratio of ˜0.5 using thermoelectric properties as an experimental probe. This Au-Al-Gd AC provides an ideal platform for fine probing of the pseudogap among a number of known ACs because the Au-Al-Gd AC possesses an extraordinarily wide single-phase region with respect to the variation in the electron concentration [A. Ishikawa, T. Hiroto, K. Tokiwa, T. Fujii, and R. Tamura, Phys. Rev. B 93, 024416 (2016), 10.1103/PhysRevB.93.024416], in striking contrast to, for instance, binary stoichiometric C d6R ACs. As a result, a salient peak structure is observed in the Seebeck coefficient, S , with the composition as well as that of the power factor S2σ , in addition to a gradual variation in the conductivity, σ , and S . These two features are directly associated with rapid and slow variations, respectively, of spectral conductivity σ (E ) , and hence the fine structure inside the pseudogap, in the vicinity of the Fermi level EF. Based on the observed continuous variation of the Fermi wave vector reported in the previous experimental work, fine tuning of EF toward an optimal position was attempted, which led to the successful observation of a sharp peak in S2σ with a value of ˜270 μ W /m .K2 at 873 K. This is the highest value ever reported among both Tsai-type and Bergman-type compounds. The dimensionless figure of merit was determined as 0.026 at 873 K, which is also the highest reported among both Tsai-type and Bergman-type compounds.

Atomistic simulation of frictional anisotropy on quasicrystal approximant surfaces

DOE PAGES

Ye, Zhijiang; Martini, Ashlie; Thiel, Patricia; ...

2016-06-23

J. Y. Park et al. [Science 309, 1354 (2005)] have reported eight times greater atomic-scale friction in the periodic than in the quasiperiodic direction on the twofold face of a decagonal Al-Ni-Co quasicrystal. Here we present results of molecular-dynamics simulations intended to elucidate mechanisms behind this giant frictional anisotropy. Simulations of a bare atomic-force-microscope tip on several model substrates and under a variety of conditions failed to reproduce experimental results. On the other hand, including the experimental passivation of the tip with chains of hexadecane thiol, we reproduce qualitatively the experimental anisotropy in friction, finding evidence for entrainment of themore » organic chains in surface furrows parallel to the periodic direction.« less

Enhanced photocatalytic H2 production of Mn0.5Cd0.5S solid solution through loading transition metal sulfides XS (X = Mo, Cu, Pd) cocatalysts

NASA Astrophysics Data System (ADS)

Zhai, Huishan; Liu, Xiaolei; Wang, Peng; Huang, Baibiao; Zhang, Qianqian

2018-02-01

Development of highly efficient cocatalyst is important towards photocatalytic H2 production. Herein, a series of transition metal sulfides XS (X = Mo, Cu, Pd) as cocatalysts have been successfully grown on Mn0.5Cd0.5S photocatalyst through photo-reduction or in-situ deposition method, respectively. Among them, the maximum production of H2 obtained from MoS2/Mn0.5Cd0.5S, CuxS/Mn0.5Cd0.5S (1 ≤ x ≤ 2) and PdS/Mn0.5Cd0.5S samples were 197, 347 and 614 μmol/h, which were around 6.5, 11.5 and 20.3 times than pristine Mn0.5Cd0.5S. MoS2/Mn0.5Cd0.5S heterostructure can facilitate electron transfer from Mn0.5Cd0.5S to MoS2 and MoS2 as active site for H2 production, p-n junction constructed between Mn0.5Cd0.5S and CuxS can efficiently separate the photo-generated carriers and PdS as a hole acceptor can accelerate the consume of photo-generated holes to enhance the photocatalytic H2 production. The effective charge transfer was further proved by the weaker PL intensity and stronger photocurrent density relative to that of Mn0.5Cd0.5S alone. This work demonstrated that transition metal sulfides XS (X = Mo, Cu, Pd) are efficient cocatalysts to improve the H2 production performance of Mn0.5Cd0.5S photocatalyst.

27Al, 63Cu NMR spectroscopy and electrical transport in Heusler Cu-Mn-Al alloy powders

NASA Astrophysics Data System (ADS)

Nadutov, V. M.; Perekos, A. O.; Kokorin, V. V.; Trachevskii, V. V.; Konoplyuk, S. M.; Vashchuk, D. L.

2018-02-01

The ultrafine powder of the Heusler Cu-13,1Mn-12,6Al (wt.%) alloy produced by electrical spark dispersion (ESD) in ethanol and the pellets prepared by pressing of the powders and aged in various gas environment (air, Ar, vacuum) were studied by XRD, nuclear magnetic resonance, magnetic and electric transport methods. The constituent phases were identified as b.c.c. α-Cu-Mn-Al, f.c.c. γ-Cu-Mn-Al, Cu2MnAl, and oxides. The sizes of the coherently scattering domains (CSD) and the saturation magnetizations were in the range of 4-90 nm and 0-1.5 Am2/kg, respectively. 27Al and 63Cu NMR spectra of the powders and pellets have shown hyperfine structure caused by contributions from atomic nuclei of the constituent phases. The aging of pellets in different gas environments had effect on their phase composition but no effect on dispersion of the phases. In contrast to the as-cast alloy, electrical resistance of the pellets evidenced semiconducting behavior at elevated temperatures due to the presence of metal oxides formed on the surfaces of nanoparticles.

Magnetic and structural instabilities in CePd 2Al 2 and LaPd 2Al 2

NASA Astrophysics Data System (ADS)

Chapon, L. C.; Goremychkin, E. A.; Osborn, R.; Rainford, B. D.; Short, S.

2006-05-01

We have investigated the crystal and magnetic structure of the RPd 2Al 2 compounds (R=La, Ce) by neutron powder diffraction (ND) and inelastic neutron scattering (INS). The ND study shows that both compounds undergo a structural phase transition from tetragonal to orthorhombic symmetry at 91.5 K (La) and 13.5 K (Ce). In the case of CePd 2Al 2 the crystal field excitation spectrum, which has an extra peak that cannot be explained by a standard crystal field model, indicates the presence of strong magneto-elastic coupling.

Red persistent luminescence in rare earth-free AlN:Mn 2+ phosphor

DOE PAGES

Xu, Jian; Cherepy, Nerine J.; Ueda, Jumpei; ...

2017-07-03

Here, we investigated the persistent luminescence (PersL) properties of a rare earth-free Mn 2+ doped AlN (AlN:Mn) red phosphor together with a commercial SrAl 2O 4:Eu 2+, Dy 3+ green persistent phosphor as a reference. Similar to its photoluminescence (PL) spectrum, the PersL spectrum of the AlN:Mn phosphor exhibited a red emission band centered at 600 nm due to the Mn 2+: 4T 1( 4G) → 6A 1( 6S) transition with a relatively narrow full width at half maximum (FWHM) of 43 nm. The luminance of AlN:Mn powders was 0.65 mcd/m 2 at 60 min after ceasing ultraviolet (UV) illumination,more » and its duration upon 0.32 mcd/m 2 could reach over 110 min. An extremely broad thermoluminescence (TL) glow curve was observed ranging from 100 K to 600 K and peaked at around 310 K, indicating a wide trap distribution in this material.« less

Red persistent luminescence in rare earth-free AlN:Mn 2+ phosphor

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

Xu, Jian; Cherepy, Nerine J.; Ueda, Jumpei

Here, we investigated the persistent luminescence (PersL) properties of a rare earth-free Mn 2+ doped AlN (AlN:Mn) red phosphor together with a commercial SrAl 2O 4:Eu 2+, Dy 3+ green persistent phosphor as a reference. Similar to its photoluminescence (PL) spectrum, the PersL spectrum of the AlN:Mn phosphor exhibited a red emission band centered at 600 nm due to the Mn 2+: 4T 1( 4G) → 6A 1( 6S) transition with a relatively narrow full width at half maximum (FWHM) of 43 nm. The luminance of AlN:Mn powders was 0.65 mcd/m 2 at 60 min after ceasing ultraviolet (UV) illumination,more » and its duration upon 0.32 mcd/m 2 could reach over 110 min. An extremely broad thermoluminescence (TL) glow curve was observed ranging from 100 K to 600 K and peaked at around 310 K, indicating a wide trap distribution in this material.« less

Raman studies of nanocomposites catalysts: temperature and pressure effects of CeAl, CeMn and NiAl oxides

NASA Astrophysics Data System (ADS)

da Silva, Antonio N.; Neto, Antonio B. S.; Oliveira, Alcemira C.; Junior, Manoel C.; Junior, Jose A. L.; Freire, Paulo T. C.; Filho, Josué M.; Oliveira, Alcineia C.; Lang, Rossano

2018-06-01

High temperature and pressure effects on the physicochemical properties of binary oxides catalysts were investigated. The nanocomposites catalysts comprising of CeAl, CeMn and NiAl were characterized through various physicochemical techniques. A study of the temperature and pressure induced phenomena monitored by Raman spectroscopy was proposed and discussed. Spectral modifications of the Raman modes belonging to the CeMn suggest structural changes in the solid due to the MnO2 phase oxidation with increasing temperature. The thermal expansion and lattice anharmonicity effects were observed on CeMn due to lack of stability of the lattice vacancies. The CeAl and NiAl composites presented crystallographic stability at low temperatures however, undertake a phase transformation of NiO/Al2O3 into NiAl2O4, mostly without any deformation in its structure with increasing the temperature. It was also inferred that the binary oxides are more stables in comparison with monoxides. Detailed pressure-dependent Raman measurements of the T2g phonon mode of CeMn and NiAl revealed that the pressure contributes to modify bonds length and reduces the particles sizes of the solids. On the contrary, high pressure on CeAl sample improved the stability with addition of Al2O3 in the CeO2 lattice. The results then suggest a good stability of CeAl and NiAl composite catalysts at high pressure and low temperature and show how to prospect of tuning the catalysis for surface reactions entirely through in situ spectroscopic investigations means.

Increasing the Aromatic Selectivity of Quinoline Hydrogenolysis Using Pd/MOx–Al2O3

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

Bachrach, Mark; Morlanes-Sanchez, Natalia; Canlas, Christian P.

2014-09-11

Catalysts consisting of Pd nanoparticles supported on highly dispersed TiOx–Al2O3, TaOx–Al2O3, and MoOx–Al2O3 are studied for catalytic quinoline hydrogenation and selective C–N bond cleavage at 275 °C and 20 bar H2. The Pd/MOx–Al2O3 materials exhibit significantly greater aromatic product selectivity and thus 10–15 % less required H2 for a given level of denitrogenation relative to an unmodified Pd/Al2O3 catalyst.

Microstructure, Phase Occurrence, and Corrosion Behavior of As-Solidified and As-Annealed Al-Pd Alloys

NASA Astrophysics Data System (ADS)

Ďuriška, Libor; Palcut, Marián; Špoták, Martin; Černičková, Ivona; Gondek, Ján; Priputen, Pavol; Čička, Roman; Janičkovič, Dušan; Janovec, Jozef

2018-02-01

In the present work, we studied the microstructure, phase constitution, and corrosion performance of Al88Pd12, Al77Pd23, Al72Pd28, and Al67Pd33 alloys (metal concentrations are given in at.%). The alloys were prepared by repeated arc melting of Al and Pd granules in argon atmosphere. The as-solidified samples were further annealed at 700 °C for 500 h. The microstructure and phase constitution of the as-solidified and as-annealed alloys were studied by scanning electron microscopy, energy-dispersive x-ray spectroscopy, and x-ray diffraction. The alloys were found to consist of (Al), ɛ n ( Al3Pd), and δ (Al3Pd2) in various fractions. The corrosion testing of the alloys was performed in aqueous NaCl (0.6 M) using a standard 3-electrode cell monitored by potentiostat. The corrosion current densities and corrosion potentials were determined by Tafel extrapolation. The corrosion potentials of the alloys were found between - 763 and - 841 mV versus Ag/AgCl. An active alloy dissolution has been observed, and it has been found that (Al) was excavated, whereas Al in ɛ n was de-alloyed. The effects of bulk chemical composition, phase occurrence and microstructure on the corrosion behavior are evaluated. The local nobilities of ɛ n and δ are discussed. Finally, the conclusions about the alloy's corrosion resistance in saline solutions are provided.

Effect of Pd substitution for Ni on magnetism in UNiAl

NASA Astrophysics Data System (ADS)

Dremov, R. V.; Andreev, A. V.; Šebek, J.; Mushnikov, N. V.; Goto, T.; Havela, L.; Sechovský, V.; Shiokawa, Y.; Homma, Y.

1999-01-01

Itinerant 5f-electron antiferromagnet UNiAl ( TN=19.3 K) undergoes a metamagnetic transition in fields ( Bc≈11 T) applied along the c-axis of the hexagonal ZrNiAl-type structure. The same structure is preserved in the UNi 1- xPd xAl solid solutions x⩽0.4 characterized by isotropic lattice expansion with increasing x. The gradual increase of Bc and TN due to the Pd doping can be tentatively attributed to enhancement of antiferromagnetic exchange interactions.

First-principles study of spin-transfer torque in Co{sub 2}MnSi/Al/Co{sub 2}MnSi spin-valve

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

Tang, Ling, E-mail: lingtang@zjut.edu.cn; Yang, Zejin, E-mail: zejinyang@zjut.edu.cn

The spin-transfer torque (STT) in Co{sub 2}MnSi(CMS)/Al/Co{sub 2}MnSi spin-valve system with and without interfacial disorder is studied by a first-principles noncollinear wave-function-matching method. It is shown that in the case of clean interface the angular dependence of STT for CoCo/Al (the asymmetry parameter Λ≈4.5) is more skewed than that for MnSi/Al (Λ≈2.9), which suggests the clean CoCo/Al architecture is much more efficient for the application on radio frequency oscillation. We also find that even with interfacial disorder the spin-valve of half-metallic CMS still has a relatively large parameter Λ compared to that of conventional ferromagnet. In addition, for clean interfacemore » the in-plane torkance of MnSi/Al is about twice as large as that of CoCo/Al. However, as long as the degree of interfacial disorder is sufficiently large, the CoCo/Al and MnSi/Al will show approximately the same magnitude of in-plane torkance. Furthermore, our results demonstrate that CMS/Al/CMS system has very high efficiency of STT to switch the magnetic layer of spin-valve.« less

Anomalous Hall conductivity and electronic structures of Si-substituted Mn2CoAl epitaxial films

NASA Astrophysics Data System (ADS)

Arima, K.; Kuroda, F.; Yamada, S.; Fukushima, T.; Oguchi, T.; Hamaya, K.

2018-02-01

We study anomalous Hall conductivity (σAHC) and electronic band structures of Si-substituted Mn2CoAl (Mn2CoAl1 -xSix ). First-principles calculations reveal that the electronic band structure is like a spin-gapless system even after substituting a quaternary element of Si for Al up to x =0.2 in Mn2CoAl1 -xSix . This means that the Si substitution enables the Fermi-level shift without largely changing the electronic structures in Mn2CoAl . By using molecular beam epitaxy techniques, Mn2CoAl1 -xSix epitaxial films can be grown, leading to the systematic control of x (0 ⩽x ⩽0.3 ). In addition to the electrical conductivity, the values of σAHC for the Mn2CoAl1 -xSix films are similar to those in Mn2CoAl films shown in previous reports. We note that a very small σAHC of ˜1.1 S/cm is obtained for x = 0.225, and the sign of σAHC is changed from positive to negative at around x = 0.25. We discuss the origin of the sign reversal of σAHC as a consequence of the Fermi-level shift in Mn2CoAl . Considering the presence of the structural disorder in the Mn2CoAl1 -xSix films, we can conclude that the small value and sign reversal of σAHC are not related to the characteristics of spin-gapless semiconductors.

Multilayered sandwich-like architecture containing large-scale faceted Al–Cu–Fe quasicrystal grains

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

Wei, Dongxia; He, Zhanbing, E-mail: hezhanbing@ustb.edu.cn

Faceted quasicrystals are structurally special compared with traditional crystals. Although the application of faceted quasicrystals has been expected, wide-scale application has not occurred owing to the limited exposure of the facets. Using a facile method of heat treatment, we synthesize a multilayered sandwich-like structure with each layer composed of large-scale pentagonal-dodecahedra of Al–Cu–Fe quasicrystals. Moreover, there are channels between the adjacent Al–Cu–Fe layers that serve to increase the exposure of the facets of quasicrystals. Scanning electron microscopy, transmission electron microscopy, and X-ray diffraction are used to characterize the multilayered architecture, and the generation mechanisms of this special structure are alsomore » discussed. - Highlights: • A multilayered sandwich-like structure is produced by a facile method. • Each layer is covered by large-scale faceted Al–Cu–Fe quasicrystals. • There are channels between the adjacent Al–Cu–Fe layers.« less

Superior room-temperature ductility of typically brittle quasicrystals at small sizes

PubMed Central

Zou, Yu; Kuczera, Pawel; Sologubenko, Alla; Sumigawa, Takashi; Kitamura, Takayuki; Steurer, Walter; Spolenak, Ralph

2016-01-01

The discovery of quasicrystals three decades ago unveiled a class of matter that exhibits long-range order but lacks translational periodicity. Owing to their unique structures, quasicrystals possess many unusual properties. However, a well-known bottleneck that impedes their widespread application is their intrinsic brittleness: plastic deformation has been found to only be possible at high temperatures or under hydrostatic pressures, and their deformation mechanism at low temperatures is still unclear. Here, we report that typically brittle quasicrystals can exhibit remarkable ductility of over 50% strains and high strengths of ∼4.5 GPa at room temperature and sub-micrometer scales. In contrast to the generally accepted dominant deformation mechanism in quasicrystals—dislocation climb, our observation suggests that dislocation glide may govern plasticity under high-stress and low-temperature conditions. The ability to plastically deform quasicrystals at room temperature should lead to an improved understanding of their deformation mechanism and application in small-scale devices. PMID:27515779

Liquid Quasicrystals

NASA Astrophysics Data System (ADS)

Ungar, Goran

Following the discovery of quasicrystals by Shechtman and Cahn in 1984, for the following 20 years the new field of QCs was confined to metal alloys and atomic-scale structures. Then, with the discovery of a liquid crystal phase possessing dodecagonal QC symmetry], research interest has extended from metal alloys to those where the motifs were no longer single atoms but assemblies of many molecules. In dendron-based liquid quasicrystals (LQC) between 10-50 molecules form a supramolecular sphere with 103 - 104 atoms. In 2007 a 2-d quasiperiodic phase was found in three-arm star ABC polymers. In 2012 the first linear diblock copolymer was reported to form a sphere-based bulk QC phase, similar to that in dendrimer LQC but on a still larger scale. In the same year bulk QC domains were reported in ``hard'' nanoporous silica, produced however, again from a ``soft'' lyotropic template. The symmetry of all confirmed soft QCs so far is 12-fold. Another important development in soft QCs is the observation of complex QC approximants in a number of side-branched polyphilic LC honeycombs, described by multicolour tilings. In fact, recently we found a genuine dodecagonal QC in such systems, the first example of a 2D LQC. Furthermore, we succeeded in direct AFM imaging of the xy plane of a dendrimer LQC. The images confirm the ``half-step'' inflation rule, proposed earlier but not confirmed until now. Funding is acknowledged from Leverhulme Trust.

Electronic Topological Transitions in CuNiMnAl and CuNiMnSn under pressure from first principles study

NASA Astrophysics Data System (ADS)

Rambabu, P.; Kanchana, V.

2018-06-01

A detailed study on quaternary ordered full Heusler alloys CuNiMnAl and CuNiMnSn at ambient and under different compressions is presented using first principles electronic structure calculations. Both the compounds are found to possess ferromagnetic nature at ambient with magnetic moment of Mn being 3.14 μB and 3.35 μB respectively in CuNiMnAl and CuNiMnSn. The total magnetic moment for both the compounds is found to decrease under compression. Fermi surface (FS) topology change is observed in both compounds under pressure at V/V0 = 0.90, further leading to Electronic Topological Transitions (ETTs) and is evidenced by the anomalies visualized in density of states and elastic constants under compression.

Increasing the Aromatic Selectivity of Quinoline Hydrogenolysis Using Pd/MO x–Al 2O 3

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

Bachrach, Mark; Morlanes-Sanchez, Natalia; Canlas, Christian P.

2014-09-11

Catalysts consisting of Pd nanoparticles supported on highly dispersed TiO x–Al 2O 3, TaO x–Al 2O 3, and MoO x–Al 2O 3 are studied for catalytic quinoline hydrogenation and selective C–N bond cleavage at 275 °C and 20 bar H 2. Lastly, the Pd/MO x–Al 2O 3 materials exhibit significantly greater aromatic product selectivity and thus 10–15 % less required H 2 for a given level of denitrogenation relative to an unmodified Pd/Al 2O 3 catalyst.

Interfacial exchange interactions and magnetism of Ni2MnAl /Fe bilayers

NASA Astrophysics Data System (ADS)

Yanes, R.; Simon, E.; Keller, S.; Nagyfalusi, B.; Khmelevsky, S.; Szunyogh, L.; Nowak, U.

2017-08-01

Based on multiscale calculations combining ab initio methods with spin dynamics simulations, we perform a detailed study of the magnetic behavior of Ni2MnAl /Fe bilayers. Our simulations show that such a bilayer exhibits a small exchange bias effect when the Ni2MnAl Heusler alloy is in a disordered B2 phase. Additionally, we present an effective way to control the magnetic structure of the Ni2MnAl antiferromagnet, in the pseudo-ordered B2-I as well as the disordered B2 phases, via a spin-flop coupling to the Fe layer.

Effect of pretreatment on pd/Al2O3 catalyst for catalytic oxidation of o-xylene at low temperature.

PubMed

Huang, Shaoyong; Zhang, Changbin; He, Hong

2013-06-01

The effect of pretreatment on Pd/Al2O3 catalysts for the catalytic oxidation of o-xylene at low temperature was studied by changing the pretreatment and testing conditions. The fresh and pretreated Pd/Al2O3 catalysts were characterized by transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS) and X-ray diffraction (XRD). The results showed that the pretreatment dramatically changed the Pd/PdO ratio and then significantly affected the Pd/Al2O3 activity; while the pretreatment had not much influence on Pd particle size. The Pd/Al2O3 pre-reduced at 300 degrees C/400 degrees C, which has fully reduced Pd species, showed the highest activity; while the fresh Pd/Al2O3, which has fully oxidized Pd species, presented the worst performance, indicating the Pd chemical state plays an important role in the catalytic activity for the o-xylene oxidation. It is concluded that metallic Pd is the active species on the Pd/Al2O3 catalyst for the catalytic oxidation of o-xylene at low temperature.

Anti-site-induced diverse diluted magnetism in LiMgPdSb-type CoMnTiSi alloy

NASA Astrophysics Data System (ADS)

Lin, T. T.; Dai, X. F.; Guo, R. K.; Cheng, Z. X.; Wang, L. Y.; Wang, X. T.; Liu, G. D.

2017-02-01

The effect of three kinds of anti-site disorder to electronic structure and magnetic properties of the LiMgPdSb-type CoMnTiSi alloy are investigated. It was found the Mn-Ti anti-site disorder can induce the diluted magnetism in CoMnTiSi matrix. The magnetic structure has an oscillation between the ferromagnetic and antiferromagnetic states with the different degree of Mn-Ti anti-site disorder. Two novel characteristics: the diluted antiferromagnetic half-metallicity and the diluted zero-gap half-metallity are found in the different degree range of the Mn-Ti anti-site disorder. The Co-Mn and Co-Ti anti-site disorder have little effect on the magnetic properties. The width of energy gap and the intensity of DOS at the Fermi level can be adjusted by the degree of Co-Mn or Co-Ti anti-site disorder. The independent control to the carrier concentration and magnetization can be realized by introducing the different anti-site disorder.

Quasicrystal-reinforced Mg alloys

PubMed Central

Kyun Kim, Young; Tae Kim, Won; Hyang Kim, Do

2014-01-01

The formation of the icosahedral phase (I-phase) as a secondary solidification phase in Mg–Zn–Y and Mg–Zn–Al base systems provides useful advantages in designing high performance wrought magnesium alloys. The strengthening in two-phase composites (I-phase + α-Mg) can be explained by dispersion hardening due to the presence of I-phase particles and by the strong bonding property at the I-phase/matrix interface. The presence of an additional secondary solidification phase can further enhance formability and mechanical properties. In Mg–Zn–Y alloys, the co-presence of I and Ca2Mg6Zn3 phases by addition of Ca can significantly enhance formability, while in Mg–Zn–Al alloys, the co-presence of the I-phase and Mg2Sn phase leads to the enhancement of mechanical properties. Dynamic and static recrystallization are significantly accelerated by addition of Ca in Mg–Zn–Y alloy, resulting in much smaller grain size and more random texture. The high strength of Mg–Zn–Al–Sn alloys is attributed to the presence of finely distributed Mg2Sn and I-phase particles embedded in the α-Mg matrix. PMID:27877660

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.

Catalytic ozonation of petroleum refinery wastewater utilizing Mn-Fe-Cu/Al2O 3 catalyst.

PubMed

Chen, Chunmao; Yoza, Brandon A; Wang, Yandan; Wang, Ping; Li, Qing X; Guo, Shaohui; Yan, Guangxu

2015-04-01

There is of great interest to develop an economic and high-efficient catalytic ozonation system (COS) for the treatment of biologically refractory wastewaters. Applications of COS require options of commercially feasible catalysts. Experiments in the present study were designed to prepare and investigate a novel manganese-iron-copper oxide-supported alumina-assisted COS (Mn-Fe-Cu/Al2O3-COS) for the pretreatment of petroleum refinery wastewater. The highly dispersed composite metal oxides on the catalyst surface greatly promoted the performance of catalytic ozonation. Hydroxyl radical mediated oxidation is a dominant reaction in Mn-Fe-Cu/Al2O3-COS. Mn-Fe-Cu/Al2O3-COS enhanced COD removal by 32.7% compared with a single ozonation system and by 8-16% compared with Mn-Fe/Al2O3-COS, Mn-Cu/Al2O3-COS, and Fe-Cu/Al2O3-COS. The O/C and H/C ratios of oxygen-containing polar compounds significantly increased after catalytic ozonation, and the biodegradability of petroleum refinery wastewater was significantly improved. This study illustrates potential applications of Mn-Fe-Cu/Al2O3-COS for pretreatment of biologically refractory wastewaters.

Quasicrystals and Quantum Computing

NASA Astrophysics Data System (ADS)

Berezin, Alexander A.

1997-03-01

In Quantum (Q) Computing qubits form Q-superpositions for macroscopic times. One scheme for ultra-fast (Q) computing can be based on quasicrystals. Ultrafast processing in Q-coherent structures (and the very existence of durable Q-superpositions) may be 'consequence' of presence of entire manifold of integer arithmetic (A0, aleph-naught of Georg Cantor) at any 4-point of space-time, furthermore, at any point of any multidimensional phase space of (any) N-particle Q-system. The latter, apart from quasicrystals, can include dispersed and/or diluted systems (Berezin, 1994). In such systems such alleged centrepieces of Q-Computing as ability for fast factorization of long integers can be processed by sheer virtue of the fact that entire infinite pattern of prime numbers is instantaneously available as 'free lunch' at any instant/point. Infinitely rich pattern of A0 (including pattern of primes and almost primes) acts as 'independent' physical effect which directly generates Q-dynamics (and physical world) 'out of nothing'. Thus Q-nonlocality can be ultimately based on instantaneous interconnectedness through ever- the-same structure of A0 ('Platonic field' of integers).

The optical properties of Sr3SiAl10O20 and Sr3SiAl10O20:Mn4+

NASA Astrophysics Data System (ADS)

Jansen, Thomas; Jüstel, Thomas

2017-11-01

Mn4+-activated luminescent materials have attracted significant attention recently. In particular, alkaline earth aluminates, such as Sr4Al14O25:Mn4+ and CaAl12O19:Mn4+, emit light in the red region, which can be exploited in phosphor-converted LEDs. We applied a sol-gel precursor followed by a ceramic method to synthesize highly crystalline Mn4+-doped Sr3SiAl10O20. The compound Sr3SiAl10O20:Mn4+ exhibits deep red photoluminescence that peaks at 663 nm, which can be assigned to the 2Eg → 4A2g intraconfigurational transition of Mn4+ ([Ar]3d.3 configuration) within the [MnO6]8- octahedra on the aluminum site in the Sr3SiAl10O20 (Space group C12/m1) host structure. The photoluminescence properties, such as the temperature dependence of the luminescence intensity and luminescence lifetime, are presented. Furthermore, the luminescence intensity as function of the activator concentration was investigated. Additionally, the band structure of the undoped host material was treated with Density Functional Theory (DFT). The theoretical results were evaluated experimentally with diffuse UV reflectance spectroscopy. Finally, the crystal field and Racah parameters were extracted to compare with those reported in the literature.

Effect of L1{sub 2} ordering in antiferromagnetic Ir-Mn epitaxial layer on exchange bias of FePd films

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

Chang, Y. C.; Duh, J. G., E-mail: pmami.hsiao@gmail.com, E-mail: lin.yg@nsrrc.org.tw, E-mail: jgd@mx.nthu.edu.tw; Hsiao, S. N., E-mail: pmami.hsiao@gmail.com, E-mail: lin.yg@nsrrc.org.tw, E-mail: jgd@mx.nthu.edu.tw

2015-05-07

Two series of samples of single-layer IrMn and IrMn/FePd bilayer films, deposited on a single-crystal MgO substrate at different IrMn deposition temperatures (T{sub s} = 300–700 °C), were investigated using magnetron sputtering. L1{sub 2} ordering was revealed for the 30 nm-thick IrMn epitaxial (001) films with T{sub s} ≥ 400 °C, determined by synchrotron radiation x-ray diffractometry (XRD). XRD results also provide evidence of the epitaxial growth of the IrMn films on MgO substrate. Increasing T{sub s} from 400 to 700 °C monotonically increases the ordering parameter of L1{sub 2} phases from 0.17 to 0.81. An in-plane exchange bias field (H{sub eb}) of 22 Oe is obtained in amore » 10 nm-thick FePd film that is deposited on the disordered IrMn films. As the L1{sub 2} ordering of the IrMn layers increases, the H{sub eb} gradually decreases to 0 Oe, meaning that the exchange bias behavior vanishes. The increased surface roughness, revealed by atomic force microscopy, of the epitaxial IrMn layers with increasing T{sub s} cannot be the main cause of the decrease in H{sub eb} due to the compensated surface spins regardless of the disordered and ordered (001) IrMn layers. The change of antiferromagnetic structure from the A1 to the L1{sub 2} phase was correlated with the evolution of H{sub eb}.« less

Coercivity enhancement in Mn-Al-Cu flakes produced by surfactant-assisted milling

NASA Astrophysics Data System (ADS)

Saravanan, P.; Hsu, Jen-Hwa; Vinod, V. T. P.; Černík, Miroslav; Kamat, S. V.

2015-11-01

We herein report the achievement of exceptionally high coercivity (Hc) values: 9.92 and 5.86 kOe at 5 and 300 K, respectively, for Mn55Al43Cu2 flakes produced by surfactant-assisted milling process without employing any heat-treatment. The use of surfactants such as oleic acid and oleylamine during milling yielded high-aspect ratio flakes for the Mn-Al-Cu alloy. Structural studies confirmed the presence of τ- and β-phases as the major constituents in the Mn-Al-Cu flakes. The observed Hc enhancement is due to the increase in anisotropy field and structural defects, which is hypothesized to originate from the domain-wall pinning as a consequence of precipitation of fine Cu-particles present at the grain boundaries.

Deformation Behavior and Structure of i-Al-Cu-Fe Quasicrystalline Alloy in Vicinity of Nanoindenter Indentation

NASA Astrophysics Data System (ADS)

Shalaeva, E. V.; Selyanin, I. O.; Smirnova, E. O.; Smirnov, S. V.; Novachek, D. D.

2018-02-01

The nanoindentation tests have been carried out for the quasicrystalline polygrain Al62.4Cu25.3Fe12.3 alloy with the icosahedral structure i; the load P-displacement h diagrams have been used to estimate the contributions of plastic deformation (monotonic and intermittent), and the structures of the transverse microscopic sections have been studied in the vicinity of indentations by electron microscopy. It is shown that several systems of deformation bands are formed in the elasto-plastic zone in the vicinity of the indentations along the close-packed planes of the i lattice with the five-fold and two-fold symmetry axes; the bands often begin from cracks and manifest the signs of the dislocation structure. The traces of the phase transformation with the formation of the β-phase areas are observed only in a thin layer under an indenter. The effects of intermittent deformation are up to 50% of the total inelastic deformation and are related to the plastic behavior of the quasicrystal-activation and passage of deformation bands and also the formation of undersurface micro- and nanosized cracks.

Molecular structure of Mg-Al, Mn-Al and Zn-Al halotrichites-type double sulfates--an infrared spectroscopic study.

PubMed

Palmer, Sara J; Frost, Ray L

2011-05-01

Near infrared (NIR), X-ray diffraction (XRD) and infrared (IR) spectroscopy have been applied to halotrichites of the formula MgAl(2)(SO(4))(4)·22H(2)O, MnAl(2)(SO(4))(4)·22H(2)O and ZnAl(2)(SO(4))(4)·22H(2)O. Comparison of the halotrichites in different spectral regions has shown that the incorporation of a divalent transition metal into the halotrichite structure causes a shift in OH stretching band positions to lower wavenumbers. Therefore, an increase of the hydrogen bond strength of the bonded water is observed for divalent cations with a larger molecular mass. XRD has confirmed the formation of halotrichite for all three samples and characteristic peaks of halotrichite have been identified for each halotrichite-type compound. It has been observed that Mg-Al and Mn-Al halotrichite are very similar in structure, while Zn-Al showed several differences particularly in the NIR spectra. This work has shown that compounds with halotrichite structures can be synthesised and characterised by infrared and NIR spectroscopy. Copyright © 2011 Elsevier B.V. All rights reserved.

In situ Observation of Phase Transformation in MnAl(C) Magnetic Materials

PubMed Central

Si, Ping-Zhan; Qian, Hui-Dong; Choi, Chul-Jin; Park, Jihoon; Han, Sangho; Ge, Hong-Liang; Shinde, Kiran P.

2017-01-01

The phase transformation in two modes, including both displacive and massive growth of τ-phase from ε-MnAl(C), was observed by in situ transmission electron microscopy. The exact temperature range for different phase transformation modes was determined by magnetic measurements. The displacive growth of ε→τ in Mn54Al46 (or Mn54Al46C2.44) occurs at temperatures below 650 K (or 766 K), above which both modes coexist. One-third or less of the ε-phase can be transformed into τ-phase via displacive mode while the remaining two-thirds or more via massive mode. In bulk τ-phase, most τ-nanocrystals formed via displacive mode are distributed in the matrix of large τ-grains that formed via massive mode. The typical massive growth rate of the τ-phase is 8–60 nm/s, while the displacive growth rate is low. A more complete understanding of the ε→τ phase transformations in the MnAl-based magnets was provided in this work, based on which the annealing process for ε→τ was optimized and thus high purity τ-phase with high saturation magnetization was obtained. PMID:28858231

Multiple-scale structures: from Faraday waves to soft-matter quasicrystals.

PubMed

Savitz, Samuel; Babadi, Mehrtash; Lifshitz, Ron

2018-05-01

For many years, quasicrystals were observed only as solid-state metallic alloys, yet current research is now actively exploring their formation in a variety of soft materials, including systems of macromolecules, nanoparticles and colloids. Much effort is being invested in understanding the thermodynamic properties of these soft-matter quasicrystals in order to predict and possibly control the structures that form, and hopefully to shed light on the broader yet unresolved general questions of quasicrystal formation and stability. Moreover, the ability to control the self-assembly of soft quasicrystals may contribute to the development of novel photonics or other applications based on self-assembled metamaterials. Here a path is followed, leading to quantitative stability predictions, that starts with a model developed two decades ago to treat the formation of multiple-scale quasiperiodic Faraday waves (standing wave patterns in vibrating fluid surfaces) and which was later mapped onto systems of soft particles, interacting via multiple-scale pair potentials. The article reviews, and substantially expands, the quantitative predictions of these models, while correcting a few discrepancies in earlier calculations, and presents new analytical methods for treating the models. In so doing, a number of new stable quasicrystalline structures are found with octagonal, octadecagonal and higher-order symmetries, some of which may, it is hoped, be observed in future experiments.

Structural characterization and magnetic properties of L10-MnAl films grown on different underlayers by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Takata, Fumiya; Gushi, Toshiki; Anzai, Akihito; Toko, Kaoru; Suemasu, Takashi

2018-03-01

We grow MnAl films on different underlayers by molecular beam epitaxy (MBE), and investigate their structural and magnetic properties. L10-ordered MnAl films were successfully grown both on an MgO(0 0 1) single-crystalline substrate and on an Mn4N(0 0 1) buffer layer formed on MgO(0 0 1) and SrTiO3(0 0 1) substrates. For the MgO substrate, post rapid thermal annealing (RTA) drastically improved the crystalline quality and the degree of L10-ordering, whereas no improvement in the crystallinity was achieved by altering the substrate temperature (TS) during MBE growth. However, high-quality L10-MnAl films were formed on the Mn4N buffer layer by simply varying TS. Structural analysis using X-ray diffraction showed MnAl on an MgO substrate had a cubic structure whereas MnAl on the Mn4N buffer had a tetragonal structure. This difference in crystal structure affected the magnetic properties of the MnAl films. The uniaxial magnetic anisotropy constant (Ku) was drastically improved by inserting an Mn4N buffer layer. We achieved a perpendicular magnetic anisotropy of Ku = 5.0 ± 0.7 Merg/cm3 for MnAl/Mn4N film on MgO and 6.0 ± 0.2 Merg/cm3 on STO. These results suggest that Mn4N has potential as an underlayer for L10-MnAl.

The effects of Ni, Mo, Ti and Si on the mechanical properties of Cr free Mn steel (Fe-25Mn-5Al-2C)

NASA Technical Reports Server (NTRS)

Schuon, S. R.

1982-01-01

The FeMnAlC alloys may hold potential as Cr-free replacements for high strategic material iron base superalloys, but little is known about their intermediate temperature (650 C to 870 C) mechanical properties. The effects of alloying elements on the mechanical properties of model FeMnAlC alloys were studied. Results showed that modified FeMnAlC alloys had promising short term, intermediate temperature properties but had relatively poor stress rupture lives at 172 MPa and 788 C. Room temperature and 788 C tensile strength of FeMnAlC alloys were better than common cast stainless steels. Changes in room temperature tensile and 788 C tensile strength and ductility, and 788 C stress rupture life were correlated with changes in Ni, Mo, Ti, and Si levels due to alloying effects on interstitial carbon levels and carbide morphology. Fe-25Mn-5Al-2C had a very poor stress rupture life at 172 MPa and 788 C. Addition of carbide-forming elements improved the stress rupture life.

Hemin on graphene nanosheets functionalized with flower-like MnO2 and hollow AuPd for the electrochemical sensing lead ion based on the specific DNAzyme.

PubMed

Xue, Shuyan; Jing, Pei; Xu, Wenju

2016-12-15

Herein, integrated with DNAzyme highly specific to metal ions, hemin@reduced graphene oxide (hemin@rGO) functionalized with flower-like MnO2 and hollow AuPd (hAuPd-fMnO2-hemin@rGO) was used as electroactive probe and electrocatalyst to construct a universal platform for metal ion detection (lead ion Pb(2+) as the model). The proposed strategy with generality was mainly based on two aspects. Firstly, the designed probe not only showed high stability and excellent peroxidase-like activity originating from hemin, fMnO2 and hAuPd, but also possessed intrinsic redox performance from hemin, which resulted in the promotion of electron transfer and the enhancement of the response signal readout. Secondly, due to the introduction of Pb(2+), Pb(2+)-dependent DNAzyme bound in the electrode surface could be specifically identified and cleaved by Pb(2+), and the remained fragment (its supplementary sequence is a single-strand DNA S3) captured the nanocomposites S3-hAuPd-fMnO2-hemin@rGO by the hybridization reaction. Therefore, combined the cooperative catalysis of fMnO2, hAuPd and hemin to H2O2 reduction with highly specific interaction of Pb(2+)-dependent DNAzyme, the proposed Pb(2+) biosensor showed significant improvement of electrochemical analytical performance, which was involved in wide dynamic response in the range of 0.1pM-200nM, low detection limit of 0.034pM, high sensitivity and high specificity. This could facilitate the universal strategy to be a promising method for detection of other metal ions, only changing the corresponding DNAzyme specific to them. Copyright © 2016 Elsevier B.V. All rights reserved.

Elevated Temperature Deformation of Fe-39.8Al and Fe-15.6Mn-39.4Al

NASA Technical Reports Server (NTRS)

Whittenberger, J. Daniel

2004-01-01

The elevated temperature compressive properties of binary Fe-39.8 at % Al and Fe-15.6Mn-39.4Al have been measured between 1000 and 1300 K at strain rates between 10(exp 7) and 10(exp 3)/ s. Although the Mn addition to iron aluminide did not change the basic deformation characteristics, the Mn-modified alloy was slightly weaker. In the regime where deformation of FeAl occurs by a high stress exponent mechanism (n = 6), strength increases as the grain size decreases at least for diameters between approx. 200 and approx. 10 microns. Due to the limitation in the grain size-flow stress-temperature-strain rate database, the influence of further reductions of the grain size on strength is uncertain. Based on the appearance of subgrains in deformed iron aluminide, the comparison of grain diameters to expected subgrain sizes, and the grain size exponent and stress exponent calculated from deformation experiments, it is believed that grain size strengthening is the result of an artificial limitation on subgrain size as proposed by Sherby, Klundt and Miller.

Phase transformation and magnetic properties of MnAl powders prepared by elemental-doping and salt-assisted ball milling

NASA Astrophysics Data System (ADS)

Qian, Hui-Dong; Si, Ping-Zhan; Choi, Chul-Jin; Park, Jihoon; Cho, Kyung Mox

2018-05-01

The effects of elemental doping of Si and Fe on the ɛ→τ phase transformation and the magnetic properties of MnAl were studied. The magnetic powders of Si- and Fe-doped MnAl were prepared by using induction melting followed by water-quenching, annealing, and salt-assisted ball-milling. The Fe-doped MnAl powders are mainly composed of the L10-structured τ-phase, while the Si-doped MnAl are composed of τ-phase and a small fraction of γ2- and β-phases. A unique thin leaves-like morphology with thickness of several tens of nanometers and diameter size up to 500 nm were observed in the Si-doped MnAl powders. The Fe-doped MnAl powders show irregular shape with much larger dimensions in the range from several to 10 μm. The morphology difference of the samples was ascribed to the variation of the mechanical properties affected by different doping elements. The phase transformation temperatures of the ɛ-phase of the samples were measured. The doping of Fe decreases the onset temperature of the massive phase transformation in MnAl, while the Si-doping increases the massive phase transformation temperature. Both Fe and Si increase the Curie temperature of MnAl. A substantially enhanced coercivity up to 0.45 T and 0.42 T were observed in the ball-milled MnAl powders doped with Si and Fe, respectively.

Structures of small Pd Pt bimetallic clusters by Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Cheng, Daojian; Huang, Shiping; Wang, Wenchuan

2006-11-01

Segregation phenomena of Pd-Pt bimetallic clusters with icosahedral and decahedral structures are investigated by using Monte Carlo method based on the second-moment approximation of the tight-binding (TB-SMA) potentials. The simulation results indicate that the Pd atoms generally lie on the surface of the smaller clusters. The three-shell onion-like structures are observed in 55-atom Pd-Pt bimetallic clusters, in which a single Pd atom is located in the center, and the Pt atoms are in the middle shell, while the Pd atoms are enriched on the surface. With the increase of Pd mole fraction in 55-atom Pd-Pt bimetallic clusters, the Pd atoms occupy the vertices of clusters first, then edge and center sites, and finally the interior shell. It is noticed that some decahedral structures can be transformed into the icosahedron-like structure at 300 and 500 K. Comparisons are made with previous experiments and theoretical studies of Pd-Pt bimetallic clusters.

Discharge properties of Mg-Al-Mn-Ca and Mg-Al-Mn alloys as anode materials for primary magnesium-air batteries

NASA Astrophysics Data System (ADS)

Yuasa, Motohiro; Huang, Xinsheng; Suzuki, Kazutaka; Mabuchi, Mamoru; Chino, Yasumasa

2015-11-01

The discharge behaviors of rolled Mg-6 mass%Al-0.3 mass%Mn-2 mass%Ca (AMX602) and Mg-6 mass%Al-0.3 mass%Mn (AM60) alloys used as anodes for Magnesium-air batteries were investigated. The AMX602 alloy exhibited superior discharge properties compared to the AM60 alloy, especially at low current density. The discharge products of the AMX602 alloy were dense and thin, and many cracks were observed at all current densities. In addition, the discharge products were detached at some sites. These sites often corresponded to the positions of Al2Ca particles. The comparison of the discharge and corrosion tests indicated that the dense and thin discharge products of AMX602 were easily cracked by dissolution of the Mg matrix around Al2Ca particles, and the cracks promoted the penetration of the electrolyte into the discharge products, retaining the discharge activity. In contrast, concerning the AM60 alloy, thick discharge products were formed on the surface during discharge, and cracking of the discharge products hardly occurred, degrading the discharge properties. Localized and deeply corroded pits that could result from the detachment of metal pieces from the anode during discharge were partly observed in the AM60 alloy. It is suggested that these detached metal pieces are another reason for the low discharge properties of the AM60 alloy.

Production of verbs related to body movement in amyotrophic lateral sclerosis (ALS) and Parkinson's Disease (PD).

PubMed

Cousins, Katheryn A Q; Ash, Sharon; Grossman, Murray

2018-03-01

Theories of grounded cognition propose that action verb knowledge relies in part on motor processing regions, including premotor cortex. Accordingly, impaired action verb knowledge in patients with amyotrophic lateral sclerosis (ALS) and Parkinson's Disease (PD) is thought to be due to motor system degeneration. Upper motor neuron disease in ALS degrades the motor cortex and related pyramidal motor system, while disease in PD is centered in the basal ganglia and can spread to frontostriatal areas that are important to language functioning. These anatomical distinctions in disease may yield subtle differences in the action verb impairment between patient groups. Here we compare verbs where the body is the agent of the action to verbs where the body is the theme. To examine the role of motor functioning in body verb production, we split patient groups into patients with high motor impairment (HMI) and those with low motor impairment (LMI), using disease-specific measures of motor impairment. Regression analyses assessed how verb production in ALS and PD was related to motor system atrophy. We find a dissociation between agent- and theme-body verbs in ALS: ALS HMI were impaired for agent body verbs but not theme verbs, compared to ALS LMI. This dissociation was not present in PD patients, who instead show depressed production for all body verbs. Although patients with cognitive impairment were excluded from this study, cognitive performance significantly correlated with the production of theme verbs in ALS and cognitive/stative verbs in PD. Finally, regression analyses related the agent-theme dissociation in ALS to grey matter atrophy of premotor cortex. These findings support the view that motor dysfunction and disease in premotor cortex contributes to the agent body verb deficit in ALS, and begin to identify some distinct characteristics of impairment for verbs in ALS and PD. Copyright © 2017 Elsevier Ltd. All rights reserved.

Studies of Nucleation and Growth, Specific Heat and Viscosity of Undercooled Melts of Quasicrystals and Polytetrehedral-Phase-Forming Alloys

NASA Technical Reports Server (NTRS)

2003-01-01

By investigating the properties of quasicrystals and quasicrystal-forming liquid alloys, we may determine the role of ordering of the liquid phase in the formation of quasicrystals, leading to a better fundamental understanding of both the quasicrystal and the liquid. A quasicrystal is solid characterized by a symmetric but non-periodic arrangement of atoms, usually in the form of an icosahedron (12 atoms, 20 triangular faces). It is theorized that the short-range order in liquids takes this same form. The degree of ordering depends on the temperature of the liquid, and affects many of the liquid s properties, including specific heat, viscosity, and electrical resistivity. The MSFC role in this project includes solidification studies, phase diagram determination, and thermophysical property measurements on the liquid quasicrystal-forming alloys, all by electrostatic levitation (ESL). The viscosity of liquid quasicrystal-forming alloys is measured by the oscillating drop method, both in the stable and undercooled liquid state. The specific heat of solid, undercooled liquid, and stable liquid are measured by the radiative cooling rate of the droplets.

Beta cell device using icosahedral boride compounds

DOEpatents

Aselage, Terrence L.; Emin, David

2002-01-01

A beta cell for converting beta-particle energies into electrical energy having a semiconductor junction that incorporates an icosahedral boride compound selected from B.sub.12 As.sub.2, B.sub.12 P.sub.2, elemental boron having an .alpha.-rhombohedral structure, elemental boron having a .beta.-rhombohedral structure, and boron carbides of the chemical formula B.sub.12-x C.sub.3-x, where 0.15icosahedral boride compound self-heals, resisting degradation from radiation damage.

Effect of Copper on Corrosion of Forged AlSi1MgMn Automotive Suspension Components

NASA Astrophysics Data System (ADS)

Koktas, Serhan; Gokcil, Emre; Akdi, Seracettin; Birol, Yucel

2017-09-01

Recently, modifications in the alloy composition and the manufacturing process cycle were proposed to achieve a more uniform structure with no evidence of coarse grains across the section of the AlSi1MgMn alloys. Cu was added to the AlSi1MgMn alloy to improve its age hardening capacity without a separate solution heat treatment. However, Cu addition degrades the corrosion resistance of this alloy due to the formation of Al-Cu precipitates along the grain boundaries that are cathodic with respect to the aluminum matrix and thus encourage intergranular corrosion. The present work was undertaken to identify the impact of Cu addition on the corrosion properties of AlSi1MgMn alloys with different Cu contents. A series of AlSi1MgMn alloys with 0.06-0.89 wt.% Cu were tested in order to identify an optimum level of Cu addition.

Extra-electron induced covalent strengthening and generalization of intrinsic ductile-to-brittle criterion

PubMed Central

Niu, Haiyang; Chen, Xing-Qiu; Liu, Peitao; Xing, Weiwei; Cheng, Xiyue; Li, Dianzhong; Li, Yiyi

2012-01-01

Traditional strengthening ways, such as strain, precipitation, and solid-solution, come into effect by pinning the motion of dislocation. Here, through first-principles calculations we report on an extra-electron induced covalent strengthening mechanism, which alters chemical bonding upon the introduction of extra-valence electrons in the matrix of parent materials. It is responsible for the brittle and high-strength properties of Al12W-type compounds featured by the typical fivefold icosahedral cages, which are common for quasicrystals and bulk metallic glasses (BMGs). In combination with this mechanism, we generalize ductile-to-brittle criterion in a universal hyperbolic form by integrating the classical Pettifor's Cauchy pressure with Pugh's modulus ratio for a wide variety of materials with cubic lattices. This study provides compelling evidence to correlate Pugh's modulus ratio with hardness of materials and may have implication for understanding the intrinsic brittleness of quasicrystals and BMGs. PMID:23056910

Extra-electron induced covalent strengthening and generalization of intrinsic ductile-to-brittle criterion.

PubMed

Niu, Haiyang; Chen, Xing-Qiu; Liu, Peitao; Xing, Weiwei; Cheng, Xiyue; Li, Dianzhong; Li, Yiyi

2012-01-01

Traditional strengthening ways, such as strain, precipitation, and solid-solution, come into effect by pinning the motion of dislocation. Here, through first-principles calculations we report on an extra-electron induced covalent strengthening mechanism, which alters chemical bonding upon the introduction of extra-valence electrons in the matrix of parent materials. It is responsible for the brittle and high-strength properties of Al(12)W-type compounds featured by the typical fivefold icosahedral cages, which are common for quasicrystals and bulk metallic glasses (BMGs). In combination with this mechanism, we generalize ductile-to-brittle criterion in a universal hyperbolic form by integrating the classical Pettifor's Cauchy pressure with Pugh's modulus ratio for a wide variety of materials with cubic lattices. This study provides compelling evidence to correlate Pugh's modulus ratio with hardness of materials and may have implication for understanding the intrinsic brittleness of quasicrystals and BMGs.

Microstructure and Phase Analysis in Mn-Al and Zr-Co Permanent Magnets

NASA Astrophysics Data System (ADS)

Lucis, Michael J.

In America's search for energy independence, the development of rare-earth free permanent magnets is one hurdle that still stands in the way. Permanent magnet motors provide a higher efficiency than induction motors in applications such as hybrid vehicles and wind turbines. This thesis investigates the ability of two materials, Mn-Al and Zr-Co, to fill this need for a permanent magnet material whose components are readily available within the U.S. and whose supply chain is more stable than that of the rare-earth materials. This thesis focuses on the creation and optimization of these two materials to later be used as the hard phase in nanocomposites with high energy products (greater than 10 MGOe). Mn-Al is capable of forming the pure L10 structure at a composition of Mn54Al43C3. When Mn is replaced by Fe or Cu using the formula Mn48Al43C3T6 the anisotropy constant is lowered from 1.3·107 ergs/cm3 to 1.0·107 ergs/cm3 and 0.8·10 7 ergs/cm3 respectively. Previous studies have reported a loss in magnetization in Mn-Al alloys during mechanical milling. The reason for this loss in magnetization was investigated and found to be due to the formation of the equilibrium beta-Mn phase of the composition Mn3Al2 and not due to oxidation or site disorder. It was also shown that fully dense Mn-Al permanent magnets can be created at hot pressing temperatures at or above 700°C and that the epsilon-phase to tau-phase transition and consolidation can be combined into a single processing step. The addition of small amounts of Cu to the alloy, 3% atomic, can increase the compaction density allowing high densities to be achieved at lower pressing temperatures. While the structure is still under debate, alloys at the composition Zr2Co11 in the Zr-Co system have been shown to have hard magnetic properties. This thesis shows that multiple structures exist at this Zr2Co11 composition and that altering the cooling rate during solidification of the alloy affects the ratio of the phase

Three-dimensionally Ordered Macroporous Structure Enabled Nanothermite Membrane of Mn2O3/Al

PubMed Central

Zheng, Guoqiang; Zhang, Wenchao; Shen, Ruiqi; Ye, Jiahai; Qin, Zhichun; Chao, Yimin

2016-01-01

Mn2O3 has been selected to realize nanothermite membrane for the first time in the literature. Mn2O3/Al nanothermite has been synthesized by magnetron sputtering a layer of Al film onto three-dimensionally ordered macroporous (3DOM) Mn2O3 skeleton. The energy release is significantly enhanced owing to the unusual 3DOM structure, which ensures Al and Mn2O3 to integrate compactly in nanoscale and greatly increase effective contact area. The morphology and DSC curve of the nanothermite membrane have been investigated at various aluminizing times. At the optimized aluminizing time of 30 min, energy release reaches a maximum of 2.09 kJ∙g−1, where the Al layer thickness plays a decisive role in the total energy release. This method possesses advantages of high compatibility with MEMS and can be applied to other nanothermite systems easily, which will make great contribution to little-known nanothermite research. PMID:26935405

Selective hydrodechlorination of 1,2-dichloroethane catalyzed by trace Pd decorated Ag/Al2O3 catalysts prepared by galvanic replacement

NASA Astrophysics Data System (ADS)

Sun, Jingya; Han, Yuxiang; Fu, Heyun; Wan, Haiqin; Xu, Zhaoyi; Zheng, Shourong

2018-01-01

Ag catalysts decorated by trace Pd supported on γ-Al2O3 with different structure and chemical properties were prepared using a combined impregnation and galvanic replacement method. For comparison, monometallic Ag/γ-Al2O3 and Pd/γ-Al2O3 catalysts were prepared using the impregnation method. Gas-phase catalytic hydrodechlorination of 1,2-dichloroethane to ethylene was investigated on those catalysts. The structures and chemical compositions of bimetallic Pd-Ag particles in the catalysts were controlled by adjusting Pd replacement amount. The as-prepared catalysts were characterized by X-ray diffraction, transmission electron microscopy, UV-vis diffuse reflectance spectroscopy, X-ray photoelectron spectroscopy, and in-situ FTIR spectroscopy of CO adsorption. The results demonstrated that contiguous Pd sites dominated in the monometallic Pd/γ-Al2O3 catalyst, while Pd atoms were separately decorated on the surface of Ag particles in the bimetallic Pd-Ag/γ-Al2O3 catalysts when Pd replacement amount was below 0.30 wt.%. At Pd replacement amount of 0.30 wt.%, Pd ensembles with contiguous Pd sites developed in the bimetallic catalyst. Thus, monometallic Pd/γ-Al2O3 catalyst displayed negligible ethylene selectivity toward the catalytic hydrodechlorination of 1,2-dichloroethane, while bimetallic Pd-Ag/γ-Al2O3 catalyst with a Pd replacement amount of 0.13 wt.% exhibited 94.6% of ethylene selectivity. Furthermore, selectivity to incompletely dechlorinated byproduct chloroethylene decreased with Pd replacement amount, due to the enhanced decoration effect of Pd on large Ag ensembles. Findings in this work provide a promising bimetallic catalyst prepared by galvanic replacement for the selective catalytic hydrodechlorination of 1,2-dichloroethane.

Effect of post-annealing on the magnetic properties of sputtered Mn56Al44 thin films

NASA Astrophysics Data System (ADS)

Gupta, Nanhe Kumar; Husain, Sajid; Barwal, Vineet; Behera, Nilamani; Chaudhary, Sujeet

2018-05-01

Mn56Al44 (MnAl) thin films of constant thickness (˜30nm) were grown on naturally oxidized Si substrates using DC-magnetron sputtering. Effect of deposition parameters such as sputtering power, substrate temperature (Ts), and post-annealing temperature have been systematically invstigated. X-ray diffraction patterns revealed the presence of mixed phases, namely the τ- and β-MnAl. The highest saturation magnetization (MS) was found to be 65emu/cc using PPMS-VSM in film grown at Ts=500°C. The magnetic ordering was found to get significantly improved by performing post-annealing of these as-grwon at 400°C for 1 hr in the presence of out-of-plane magnetic field of ˜1500Oe in vacuum. In particular, at room temperature (RT), the MS got enhanced after magnetic annealing from 65emu/cc to 500 emu/cc in MnAl films grown at Ts=500°C. This sample exhibited a magneto-resistance of ˜1.5% at RT. The tuning of the structural and magnetic properties of MnAl binary alloy thin films as established here by varying the growth parameters is critical with regards to the prospective applications of MnAl, a metastable ferromagnetic system which possesses the highest perpendicular magnetic anisotropy at RT till date.

Two-dimensional microsphere quasi-crystal: fabrication and properties

NASA Astrophysics Data System (ADS)

Noginova, Natalia E.; Venkateswarlu, Putcha; Kukhtarev, Nickolai V.; Sarkisov, Sergey S.; Noginov, Mikhail A.; Caulfield, H. John; Curley, Michael J.

1996-11-01

2D quasi-crystals were fabricated from polystyrene microspheres and characterized for their structural, diffraction, and non-linear optics properties. The quasi- crystals were produced with the method based on Langmuir- Blodgett thin film technique. Illuminating the crystal with the laser beam, we observed the diffraction pattern in the direction of the beam propagation and in the direction of the back scattering, similar to the x-ray Laue pattern observed in regular crystals with hexagonal structure. The absorption spectrum of the quasi-crystal demonstrated two series of regular maxima and minima, with the spacing inversely proportional to the microspheres diameter. Illumination of the dye-doped microspheres crystal with Q- switched radiation of Nd:YAG laser showed the enhancement of non-linear properties, in particular, second harmonic generation.

Effect of CeLa addition on the microstructures and mechanical properties of Al-Cu-Mn-Mg-Fe alloy

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

Du, Jiandi

Development of high strength lithium battery shell alloy is highly desired for new energy automobile industry. The microstructures and mechanical properties of Al-Cu-Mn-Mg-Fe alloy with different CeLa additions were investigated through optical microscopy (OM), X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Rietveld refinement and tensile testing. Experimental results indicate that Al{sub 8}Cu{sub 4}Ce and Al{sub 6}Cu{sub 6}La phases formed due to CeLa addition. Addition of 0.25 wt.% CeLa could promote the formation of denser precipitation of Al{sub 20}Cu{sub 2}Mn{sub 3} and Al{sub 6}(Mn, Fe) phases, which improved the mechanical properties of the alloy at room temperature.more » However, up to 0.50 wt.% CeLa addition could promote the formation of coarse Al{sub 8}Cu{sub 4}Ce phase, Al{sub 6}Cu{sub 6}La phase and Al{sub 6}(Mn, Fe) phase, which resulted in weakened mechanical properties. - Highlights: •Al-Cu-Mn-Mg-Fe alloys with different CeLa addition were fabricated through casting and rolling. •Al{sub 8}Cu{sub 4}Ce and Al{sub 6}Cu{sub 6}La phases formed after CeLa addition. •Addition of 0.25 wt.% CeLa promoted formation of denser precipitates of Al{sub 20}Cu{sub 2}Mn{sub 3} and Al{sub 6}(Mn, Fe). •Mechanical properties of the alloy was improved after 0.25 wt.% CeLa addition.« less

Antiferromagnetic interaction between A'-site Mn spins in A-site-ordered perovskite YMn3Al4O12.

PubMed

Tohyama, Takenori; Saito, Takashi; Mizumaki, Masaichiro; Agui, Akane; Shimakawa, Yuichi

2010-03-01

The A-site-ordered perovskite YMn(3)Al(4)O(12) was prepared by high-pressure synthesis. Structural analysis with synchrotron powder X-ray diffraction data and the Mn L-edges X-ray absorption spectrum revealed that the compound has a chemical composition Y(3+)Mn(3+)(3)Al(3+)(4)O(2-)(12) with magnetic Mn(3+) at the A' site and non-magnetic Al(3+) at the B site. An antiferromagnetic interaction between the A'-site Mn(3+) spins is induced by the nearest neighboring Mn-Mn direct exchange interaction and causes an antiferromagnetic transition at 34.3 K.

Synthesis and characterization of lithium aluminum-doped spinel (LiAl xMn 2- xO 4) for lithium secondary battery

NASA Astrophysics Data System (ADS)

Lee, Yun-Sung; Kumada, Naoki; Yoshio, Masaki

LiAl xMn 2- xO 4 has been synthesized using various aluminum starting materials, such as Al(NO 3) 3, Al(OH) 3, AlF 3 and Al 2O 3 at 600-800°C for 20 h in air or oxygen atmosphere. A melt-impregnation method was used to synthesize Al-doped spinel with good battery performance in this research. The Al-doped content and the intensity ratio of (3 1 1)/(4 0 0) peaks can be important parameters in synthesizing Al-doped spinel which satisfies the requirements of high discharge capacity and good cycleability at the same time. The decrease in Mn 3+ ion by Al substitution induces a high average oxidation state of Mn ion in the LiAl xMn 2- xO 4 material. The electrochemical behavior of all samples was studied in Li/LiPF 6-EC/DMC (1:2 by volume)/LiAl xMn 2- xO 4 cells. Especially, the initial and last discharge capacity of LiAl 0.09Mn 1.97O 4 using LiOH, Mn 3O 4 and Al(OH) 3 complex were 128.7 and 115.5 mAh/g after 100 cycles. The Al substitution in LiMn 2O 4 was an excellent method of enhancing the cycleability of stoichiometric spinel during electrochemical cycling.

Performance of Al-0.5 Mg-0.02 Ga-0.1 Sn-0.5 Mn as anode for Al-air battery in NaCl solutions

NASA Astrophysics Data System (ADS)

Ma, Jingling; Wen, Jiuba; Gao, Junwei; Li, Quanan

2014-05-01

In this research, metal-air battery based on Al, Zn, Al-0.5 Mg-0.02 Ga-0.1 Sn and Al-0.5 Mg-0.02 Ga-0.1 Sn-0.5 Mn (wt%) is prepared and the battery performance is investigated by constant current discharge test in 2 mol L-1 NaCl solutions. The characteristics of the anodes after discharge are investigated by electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM). The corrosion behavior of the anodes is studied by self-corrosion rate measurement and potentiodynamic polarization measurement. The results show that Al-Mg-Ga-Sn-Mn is more active than Al, Zn and Al-Mg-Ga-Sn anodes. The self-corrosion rate is found to be in the order: Al < Al-Mg-Ga-Sn-Mn < Al-Mg-Ga-Sn < Zn. It has been observed that the Al-air battery based on Al-Mg-Ga-Sn-Mn offers higher operating voltage and anodic utilization than those with others. SEM and EIS results of the alloy are in good agreement with corrosion characteristics.

Growth of two-dimensional decagonal colloidal quasicrystals

NASA Astrophysics Data System (ADS)

Martinsons, M.; Schmiedeberg, M.

2018-06-01

The growth of quasicrystals, i.e. structures with long-range positional order but no periodic translational symmetry, is more complex than the growth of periodic crystals. By employing Brownian dynamics simulations in two dimensions for colloidal particles that interact according to an isotropic pair potential with two incommensurate lengths, we study the growth of quasicrystalline structures by sequentially depositing particles at their surface. We quantify the occurrence of quasicrystalline order as a function of the temperature and the rate of added particles. In addition, we explore defects like local triangular order or gaps within the quasicrystalline structure. Furthermore, we analyze the shapes of the surfaces in grown structures which tend to build straight lines along the symmetry axes of the quasicrystal. Finally, we identify phasonic flips which are rearrangements of the particles due to additional degrees of freedom. The number of phasonic flips decreases with the distance to the surface.

Understanding the interface of six-shell cuboctahedral and icosahedral palladium clusters on reduced graphene oxide: experimental and theoretical study.

PubMed

Gracia-Espino, Eduardo; Hu, Guangzhi; Shchukarev, Andrey; Wågberg, Thomas

2014-05-07

Studies on noble-metal-decorated carbon nanostructures are reported almost on a daily basis, but detailed studies on the nanoscale interactions for well-defined systems are very rare. Here we report a study of reduced graphene oxide (rGOx) homogeneously decorated with palladium (Pd) nanoclusters with well-defined shape and size (2.3 ± 0.3 nm). The rGOx was modified with benzyl mercaptan (BnSH) to improve the interaction with Pd clusters, and N,N-dimethylformamide was used as solvent and capping agent during the decoration process. The resulting Pd nanoparticles anchored to the rGOx-surface exhibit high crystallinity and are fully consistent with six-shell cuboctahedral and icosahedral clusters containing ~600 Pd atoms, where 45% of these are located at the surface. According to X-ray photoelectron spectroscopy analysis, the Pd clusters exhibit an oxidized surface forming a PdO(x) shell. Given the well-defined experimental system, as verified by electron microscopy data and theoretical simulations, we performed ab initio simulations using 10 functionalized graphenes (with vacancies or pyridine, amine, hydroxyl, carboxyl, or epoxy groups) to understand the adsorption process of BnSH, their further role in the Pd cluster formation, and the electronic properties of the graphene-nanoparticle hybrid system. Both the experimental and theoretical results suggest that Pd clusters interact with functionalized graphene by a sulfur bridge while the remaining Pd surface is oxidized. Our study is of significant importance for all work related to anchoring of nanoparticles on nanocarbon-based supports, which are used in a variety of applications.

An Effective Electrodeposition Mode for Porous MnO₂/Ni Foam Composite for Asymmetric Supercapacitors.

PubMed

Tsai, Yi-Chiun; Yang, Wein-Duo; Lee, Kuan-Ching; Huang, Chao-Ming

2016-03-30

Three kinds of MnO₂/Ni foam composite electrode with hierarchical meso-macroporous structures were prepared using potentiodynamic (PD), potentiostatic (PS), and a combination of PS and PD(PS + PD) modes of electrodeposition. The electrodeposition mode markedly influenced the surface morphological, textural, and supercapacitive properties of the MnO₂/Ni electrodes. The supercapacitive performance of the MnO₂/Ni electrode obtained via PS + PD(PS + PD(MnO₂/Ni)) was found to be superior to those of MnO₂/Ni electrodes obtained via PD and PS, respectively. Moreover, an asymmetric supercapacitor device, activated carbon (AC)/PS + PD(MnO₂/Ni), utilizing PS + PD(MnO₂/Ni) as a positive electrode and AC as a negative electrode, was fabricated. The device exhibited an energy density of 7.7 Wh·kg -1 at a power density of 600 W·kg -1 and superior cycling stability, retaining 98% of its initial capacity after 10,000 cycles. The good supercapacitive performance and excellent stability of the AC/PS + PD(MnO₂/Ni) device can be ascribed to its high surface area, hierarchical structure, and interconnected three-dimensional reticular configuration of the nickel metal support, which facilitates electrolyte ion intercalation and deintercalation at the electrode/electrolyte interface and mitigates volume change during repeated charge/discharge cycling. These results demonstrate the great potential of the combination of PS and PD modes for MnO₂ electrodeposition for the development of high-performance electrodes for supercapacitors.

27Al-NMR studies of the structural phase transition in LaPd2Al2

NASA Astrophysics Data System (ADS)

Aoyama, Taisuke; Kobayashi, Fumiaki; Kotegawa, Hisashi; Tou, Hideki; Doležal, Petr; Kriegner, Dominik; Javorský, Pavel; Uhlířová, Klára

2018-05-01

We performed 27Al-NMR measurements for the CaBe2Ge2 type single crystalline LaPd2Al2 in the temperature range from 100 K to 5 K to investigate the origin of the structural phase transition. We found that the line profile of the 27Al-NMR spectrum does not change entirely on passing through the structural phase transition at Tst. Meanwhile, the peak position of the central line slightly change (≈ 30 ppm) below 70 K, suggesting the orbital shift changes below Tst. The present 27Al-NMR studies evidence that the local electronic state at Al site is hardly affected by the structural phase transition.

Irradiation behavior of U 6Mn-Al dispersion fuel elements

NASA Astrophysics Data System (ADS)

Meyer, M. K.; Wiencek, T. C.; Hayes, S. L.; Hofman, G. L.

2000-02-01

Irradiation testing of U 6Mn-Al dispersion fuel miniplates was conducted in the Oak Ridge Research Reactor (ORR). Post-irradiation examination showed that U 6Mn in an unrestrained plate configuration performs similarly to U 6Fe under irradiation, forming extensive and interlinked fission gas bubbles at a fission density of approximately 3×10 27 m-3. Fuel plate failure occurs by fission gas pressure driven `pillowing' on continued irradiation.

Mechanism of MnS Precipitation on Al2O3-SiO2 Inclusions in Non-oriented Silicon Steel

NASA Astrophysics Data System (ADS)

Li, Fangjie; Li, Huigai; Huang, Di; Zheng, Shaobo; You, Jinglin

2018-05-01

This study investigates the mechanism of MnS precipitation on Al2O3-SiO2 inclusions during the solidification of non-oriented silicon steel, especially the influence of the phase structures and sizes of the oxides on the MnS precipitation, by scanning electron microscopy and transmission electron microscopy coupled with energy dispersive spectrometry. The investigation results show that MnS tends to nucleate on submicron-sized Al2O3-SiO2 inclusions formed by interdendritic segregation and that it covers the oxides completely. In addition, MnS can precipitate on micron-sized oxides and its precipitation behavior is governed by the phase structure of the oxides. The MnS embryo formed in a MnO-containing oxide can act as a substrate for MnS precipitation, thus permitting further growth via diffusion of solute atoms from the matrix. MnS also precipitates in a MnO-free oxide by the heterogeneous nucleation mechanism. Furthermore, MnS is less prone to precipitation in the Al2O3-rich regions of the Al2O3-SiO2 inclusions; this can be explained by the high lattice disregistry between MnS and Al2O3.

Superplasticity in a lean Fe-Mn-Al steel.

PubMed

Han, Jeongho; Kang, Seok-Hyeon; Lee, Seung-Joon; Kawasaki, Megumi; Lee, Han-Joo; Ponge, Dirk; Raabe, Dierk; Lee, Young-Kook

2017-09-29

Superplastic alloys exhibit extremely high ductility (>300%) without cracks when tensile-strained at temperatures above half of their melting point. Superplasticity, which resembles the flow behavior of honey, is caused by grain boundary sliding in metals. Although several non-ferrous and ferrous superplastic alloys are reported, their practical applications are limited due to high material cost, low strength after forming, high deformation temperature, and complicated fabrication process. Here we introduce a new compositionally lean (Fe-6.6Mn-2.3Al, wt.%) superplastic medium Mn steel that resolves these limitations. The medium Mn steel is characterized by ultrafine grains, low material costs, simple fabrication, i.e., conventional hot and cold rolling, low deformation temperature (ca. 650 °C) and superior ductility above 1300% at 850 °C. We suggest that this ultrafine-grained medium Mn steel may accelerate the commercialization of superplastic ferrous alloys.Research in new alloy compositions and treatments may allow the increased strength of mass-produced, intricately shaped parts. Here authors introduce a superplastic medium manganese steel which has an inexpensive lean chemical composition and which is suited for conventional manufacturing processes.

Adsorption and reactions on a surface alloy: CO, NO, O 2 and CO 2 on Pd(100)-Mn-c(2×2)

NASA Astrophysics Data System (ADS)

Sandell, A.; Jaworowski, A. J.; Beutler, A.; Wiklund, M.

1999-02-01

The adsorption properties of the Pd(100)-Mn-c(2×2) surface alloy have been investigated using photoemission of both core and valence levels. CO adsorbs in a molecular form without affecting the alloy structure. Two CO species were found, one bonded to Pd, which desorbs upon heating to 270 K , and one bonded to Mn, which desorbs when heating to 400 K. O 2 destroys the alloy, leading to a disordered surface with MnO x complexes. The MnO x aggregates stabilize adsorbed CO 2 and act as active sites for the following oxidation reactions at 110 K: CO+O→CO 2, CO+2O→CO 3δ- and CO 2+O→CO 3δ-. The CO 2 species desorbs upon heating to 170 K , whereas the CO 3δ- species is stable up to temperatures between 300 and 500 K. When exposed to low amounts of NO at 110 K, the major part of the molecules dissociates in order to form MnO x, thereby destroying the alloy. Larger NO doses yield an increasing amount of molecular NO, which dissociate upon heating to 300 K. CO can react with the dissociated NO to form CO 2 and another species with a C 1s binding energy and thermal stability similar to that of CO 3δ-. This species was tentatively identified as -NCO or -NCO 2.

Self-trapping of holes in p-type oxides: Theory for small polarons in MnO

NASA Astrophysics Data System (ADS)

Peng, Haowei; Lany, Stephan

2012-02-01

Employing the p-d repulsion to increase the valence band dispersion and the energy of the VBM is an important design principle for p-type oxides, as manifested in prototypical p-type oxides like Cu2O or CuAlO2 which show a strong Cu-d/O-p interaction. An alternative opportunity to realize this design principle occurs for Mn(+II) compounds, where the p-d orbital interaction occurs dominantly in the fully occupied d^5 majority spin direction of Mn. However, the ability of Mn to change the oxidation state from +II to +III can lead to a small polaron mechanism for hole transport which hinders p-type conductivity. This work addresses the trends of hole self-trapping for MnO between octahedral (rock-salt structure) and tetrahedral coordination (zinc-blende structure). We employ an on-site hole-state potential so to satisfy the generalized Koopmans condition. This approach avoids the well-known difficulty of density-functional calculations to describe correctly the localization of polaronic states, and allows to quantitatively predict the self-trapping energies. We find that the tetrahedrally coordinated Mn is less susceptible to hole self-trapping than the octahedrally coordinated Mn.

Cosmic history and a candidate parent asteroid for the quasicrystal-bearing meteorite Khatyrka

NASA Astrophysics Data System (ADS)

Meier, Matthias M. M.; Bindi, Luca; Heck, Philipp R.; Neander, April I.; Spring, Nicole H.; Riebe, My E. I.; Maden, Colin; Baur, Heinrich; Steinhardt, Paul J.; Wieler, Rainer; Busemann, Henner

2018-05-01

The unique CV-type meteorite Khatyrka is the only natural sample in which "quasicrystals" and associated crystalline Cu, Al-alloys, including khatyrkite and cupalite, have been found. They are suspected to have formed in the early Solar System. To better understand the origin of these exotic phases, and the relationship of Khatyrka to other CV chondrites, we have measured He and Ne in six individual, ∼40-μm-sized olivine grains from Khatyrka. We find a cosmic-ray exposure age of about 2-4 Ma (if the meteoroid was <3 m in diameter, more if it was larger). The U, Th-He ages of the olivine grains suggest that Khatyrka experienced a relatively recent (<600 Ma) shock event, which created pressure and temperature conditions sufficient to form both the quasicrystals and the high-pressure phases found in the meteorite. We propose that the parent body of Khatyrka is the large K-type asteroid 89 Julia, based on its peculiar, but matching reflectance spectrum, evidence for an impact/shock event within the last few 100 Ma (which formed the Julia family), and its location close to strong orbital resonances, so that the Khatyrka meteoroid could plausibly have reached Earth within its rather short cosmic-ray exposure age.

Impact-induced shock and the formation of natural quasicrystals in the early solar system

NASA Astrophysics Data System (ADS)

Hollister, Lincoln S.; Bindi, Luca; Yao, Nan; Poirier, Gerald R.; Andronicos, Christopher L.; MacPherson, Glenn J.; Lin, Chaney; Distler, Vadim V.; Eddy, Michael P.; Kostin, Alexander; Kryachko, Valery; Steinhardt, William M.; Yudovskaya, Marina; Eiler, John M.; Guan, Yunbin; Clarke, Jamil J.; Steinhardt, Paul J.

2014-06-01

The discovery of a natural quasicrystal, icosahedrite (Al63Cu24Fe13), accompanied by khatyrkite (CuAl2) and cupalite (CuAl) in the CV3 carbonaceous chondrite Khatyrka has posed a mystery as to what extraterrestrial processes led to the formation and preservation of these metal alloys. Here we present a range of evidence, including the discovery of high-pressure phases never observed before in a CV3 chondrite, indicating that an impact shock generated a heterogeneous distribution of pressures and temperatures in which some portions reached at least 5 GPa and 1,200 °C. The conditions were sufficient to melt Al-Cu-bearing minerals, which then rapidly solidified into icosahedrite and other Al-Cu metal phases. The meteorite also contains heretofore unobserved phases of iron-nickel and iron sulphide with substantial amounts of Al and Cu. The presence of these phases in Khatyrka provides further proof that the Al-Cu alloys are natural products of unusual processes that occurred in the early solar system.

Spin waves in planar quasicrystal of Penrose tiling

NASA Astrophysics Data System (ADS)

Rychły, J.; Mieszczak, S.; Kłos, J. W.

2018-03-01

We investigated two-dimensional magnonic structures which are the counterparts of photonic quasicrystals forming Penrose tiling. We considered the slab composed of Ni (or Py) disks embedded in Fe (or Co) matrix. The disks are arranged in quasiperiodic Penrose-like structure. The infinite quasicrystal was approximated by its rectangular section with periodic boundary conditions applied. This approach allowed us to use the plane wave method to find the frequency spectrum of eigenmodes for spin waves and their spatial profiles. The calculated integrated density of states shows more distinctive magnonic gaps for the structure composed of materials of high magnetic contrast (Ni and Fe) and relatively high filling fraction. This proves the impact of quasiperiodic long-range order on the spectrum of spin waves. We also investigated the localization of spin wave eingenmodes resulting from the quasiperiodicity of the structure.

Mechanism of CO 2 Hydrogenation on Pd/Al 2 O 3 Catalysts: Kinetics and Transient DRIFTS-MS Studies

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

Wang, Xiang; Shi, Hui; Kwak, Ja Hun

The hydrogenation of CO 2 was investigated over a wide range of reaction conditions, using two Pd/γ-Al 2O 3 catalysts with different Pd loadings (5% and 0.5%) and dispersions (~11% and ~100%, respectively). Turnover rates for CO and CH 4 formation were both higher over 5% Pd/Al 2O 3 with a larger average Pd particle size than those over 0.5% Pd/Al 2O 3 with a smaller average particle size. The selectivity to methane (22-40%) on 5% Pd/Al 2O 3 was higher by a factor of 2-3 than that on 0.5% Pd/Al 2O 3. The drastically different rate expressions and apparentmore » energies of activation for CO and CH 4 formation lead us to conclude that reverse water gas shift and CO 2 methanation do not share the same rate-limiting step on Pd, and that the two pathways are probably catalyzed at different surface sites. Measured reaction orders in CO 2 and H 2 pressures were similar over the two catalysts, suggesting that the reaction mechanism for each pathway does not change with particle size. In accordance, the DRIFTS results reveal that the prevalent surface species and their evolution patterns are comparable on the two catalysts during transient and steady-state experiments, switching feed gases among CO 2, H 2 and CO 2+H 2. The DRIFTS and MS results also demonstrate that no direct dissociation of CO 2 takes place over the two catalysts, and that CO 2 has to first react with surface hydroxyls on the oxide support. The thus-formed bicarbonates react with dissociatively adsorbed hydrogen on Pd particles to produce adsorbed formate species (bifunctional catalyst: CO 2 activation on the oxide support, and H 2 dissociation on the metal particles). Formates near the Pd particles (most likely at the metal/oxide interface) can react rapidly with adsorbed H to produce CO, which then adsorbs on the metallic Pd particles. Two types of Pd sites are identified: one has a weak interaction with CO, which easily desorbs into gas phase at reaction temperatures, while the other interacts more

An Effective Electrodeposition Mode for Porous MnO2/Ni Foam Composite for Asymmetric Supercapacitors

PubMed Central

Tsai, Yi-Chiun; Yang, Wein-Duo; Lee, Kuan-Ching; Huang, Chao-Ming

2016-01-01

Three kinds of MnO2/Ni foam composite electrode with hierarchical meso-macroporous structures were prepared using potentiodynamic (PD), potentiostatic (PS), and a combination of PS and PD(PS + PD) modes of electrodeposition. The electrodeposition mode markedly influenced the surface morphological, textural, and supercapacitive properties of the MnO2/Ni electrodes. The supercapacitive performance of the MnO2/Ni electrode obtained via PS + PD(PS + PD(MnO2/Ni)) was found to be superior to those of MnO2/Ni electrodes obtained via PD and PS, respectively. Moreover, an asymmetric supercapacitor device, activated carbon (AC)/PS + PD(MnO2/Ni), utilizing PS + PD(MnO2/Ni) as a positive electrode and AC as a negative electrode, was fabricated. The device exhibited an energy density of 7.7 Wh·kg−1 at a power density of 600 W·kg−1 and superior cycling stability, retaining 98% of its initial capacity after 10,000 cycles. The good supercapacitive performance and excellent stability of the AC/PS + PD(MnO2/Ni) device can be ascribed to its high surface area, hierarchical structure, and interconnected three-dimensional reticular configuration of the nickel metal support, which facilitates electrolyte ion intercalation and deintercalation at the electrode/electrolyte interface and mitigates volume change during repeated charge/discharge cycling. These results demonstrate the great potential of the combination of PS and PD modes for MnO2 electrodeposition for the development of high-performance electrodes for supercapacitors. PMID:28773371

Geometrically frustrated magnetic structures of the heavy-fermion compound CePdAl studied by powder neutron diffraction

NASA Astrophysics Data System (ADS)

Dönni, A.; Ehlers, G.; Maletta, H.; Fischer, P.; Kitazawa, H.; Zolliker, M.

1996-12-01

The heavy-fermion compound CePdAl with ZrNiAl-type crystal structure (hexagonal space group 0953-8984/8/50/043/img8) was investigated by powder neutron diffraction. The triangular coordination symmetry of magnetic Ce atoms on site 3f gives rise to geometrical frustration. CePdAl orders below 0953-8984/8/50/043/img9 with an incommensurate antiferromagnetic propagation vector 0953-8984/8/50/043/img10, and a longitudinal sine-wave (LSW) modulated spin arrangement. Magnetically ordered moments at Ce(1) and Ce(3) coexist with frustrated disordered moments at Ce(2). The experimentally determined magnetic structure is in agreement with group theoretical symmetry analysis considerations, calculated by the program MODY, which confirm that for Ce(2) an ordered magnetic moment parallel to the magnetically easy c-axis is forbidden by symmetry. Further low-temperature experiments give evidence for a second magnetic phase transition in CePdAl between 0.6 and 1.3 K. Magnetic structures of CePdAl are compared with those of the isostructural compound TbNiAl, where a non-zero ordered magnetic moment for the geometrically frustrated Tb(2) atoms is allowed by symmetry.

Effects of cooling rate and Al on MnS formation in medium-carbon non-quenched and tempered steels

NASA Astrophysics Data System (ADS)

Li, Meng-long; Wang, Fu-ming; Li, Chang-rong; Yang, Zhan-bing; Meng, Qing-yong; Tao, Su-fen

2015-06-01

The effect of Al on the morphology of MnS in medium-carbon non-quenched and tempered steel was investigated at three different cooling rates of 0.24, 0.43, and 200°C·s-1. The formation mechanisms of three types of MnS were elucidated based on phase diagram information combined with crystal growth models. The morphology of MnS is governed by the precipitation mode and the growth conditions. A monotectic reaction and subsequent fast solidification lead to globular Type I MnS. Type II MnS inclusions with different morphological characteristics form as a result of a eutectic reaction followed by the growth in the Fe matrix. Type III MnS presents a divorced eutectic morphology. At the cooling rate of 0.24°C·s-1, the precipitation of dispersed Type III MnS is significantly enhanced by the addition of 0.044wt% acid-soluble Al (Als), while Type II MnS clusters prefer to form in steels with either 0.034wt% or 0.052wt% Als. At the relatively higher cooling rates of 200°C·s-1 and 0.43°C·s-1, the formation of Type I and Type II MnS inclusions is promoted, and the influence of Al is negligible. The results of this work are expected to be employed in practice to improve the mechanical properties of non-quenched and tempered steels.

Synthesis of icosahedral gold nanocrystals: a thermal process strategy.

PubMed

Zhou, Min; Chen, Shenhao; Zhao, Shiyong

2006-03-16

We demonstrate a one-step thermal process route to the synthesis of icosahedral gold nanocrystals. By regulating the concentrations of poly(vinyl pyrrolidone) (PVP) and HAuCl4 or changing the temperature, we can readily access the shapes of icosahedral nanocrystals with good uniformity. These gold nanostructures, with unique geometrical shapes, might find use in areas that include photonics, optoelectronics, and optical sensing. We also observed that these gold nanocrystals have a strong tendency to be immobilized spontaneously on the glass substrate.

Ultrahigh vacuum dc magnetron sputter-deposition of epitaxial Pd(111)/Al2O3(0001) thin films.

PubMed

Aleman, Angel; Li, Chao; Zaid, Hicham; Kindlund, Hanna; Fankhauser, Joshua; Prikhodko, Sergey V; Goorsky, Mark S; Kodambaka, Suneel

2018-05-01

Pd(111) thin films, ∼245 nm thick, are deposited on Al 2 O 3 (0001) substrates at ≈0.5 T m , where T m is the Pd melting point, by ultrahigh vacuum dc magnetron sputtering of Pd target in pure Ar discharges. Auger electron spectra and low-energy electron diffraction patterns acquired in situ from the as-deposited samples reveal that the surfaces are compositionally pure 111-oriented Pd. Double-axis x-ray diffraction (XRD) ω-2θ scans show only the set of Pd 111 peaks from the film. In triple-axis high-resolution XRD, the full width at half maximum intensity Γ ω of the Pd 111 ω-rocking curve is 630 arc sec. XRD 111 pole figure obtained from the sample revealed six peaks 60°-apart at a tilt angles corresponding to Pd 111 reflections. XRD ϕ scans show six 60°-rotated 111 peaks of Pd at the same ϕ angles for 11[Formula: see text]3 of Al 2 O 3 based on which the epitaxial crystallographic relationships between the film and the substrate are determined as [Formula: see text]ǁ[Formula: see text] with two in-plane orientations of [Formula: see text]ǁ[Formula: see text] and [Formula: see text]ǁ[Formula: see text]. Using triple axis symmetric and asymmetric reciprocal space maps, interplanar spacings of out-of-plane (111) and in-plane (11[Formula: see text]) are found to be 0.2242 ± 0.0003 and 0.1591 ± 0.0003 nm, respectively. These values are 0.18% lower than 0.2246 nm for (111) and the same, within the measurement uncertainties, as 0.1588 nm for (11[Formula: see text]) calculated from the bulk Pd lattice parameter, suggesting a small out-of-plane compressive strain and an in-plane tensile strain related to the thermal strain upon cooling the sample from the deposition temperature to room temperature. High-resolution cross-sectional transmission electron microscopy coupled with energy dispersive x-ray spectra obtained from the Pd(111)/Al 2 O 3 (0001) samples indicate that the Pd-Al 2 O 3 interfaces are essentially atomically abrupt and

Preparation of Pd supported on La(Sr)-Mn-O Perovskite by microwave Irradiation Method and Its Catalytic Performances for the Methane Combustion

PubMed Central

Wang, Wei; Yuan, Fulong; Niu, Xiaoyu; Zhu, Yujun

2016-01-01

In this work, a series of palladium supported on the La0.8Sr0.2MnO3.15 perovskite catalysts (Pd/LSM-x) with different Pd loading were prepared by microwave irradiation processing plus incipient wetness impregnation method and characterized by XRD, TEM, H2-TPR and XPS. These catalysts were evaluated on the lean CH4 combustion. The results show that the Pd/LSM-x samples prepared by microwave irradiation processing possess relative higher surface areas than LSM catalyst. The addition of Pd to the LSM leads to the increase in the oxygen vacancy content and the enhancement in the mobility of lattice oxygen which play an important role on the methane combustion. The Pd/LSM-3 catalysts with 4.2wt% Pd loading exhibited the best performance for CH4 combustion that temperature for 10% and 90% of CH4 conversion is 315 and 520 °C. PMID:26781628

Pd-MnO2 nanoparticles/TiO2 nanotube arrays (NTAs) photo-electrodes photo-catalytic properties and their ability of degrading Rhodamine B under visible light.

PubMed

Thabit, Mohamed; Liu, Huiling; Zhang, Jian; Wang, Bing

2017-10-01

Pd-MnO 2 /TiO 2 nanotube arrays (NTAs) photo-electrodes were successfully fabricated via anodization and electro deposition subsequently; the obtained Pd-MnO 2 /TiO 2 NTAs photo electrodes were analyzed by scanning electron microscopy (SEM), X-ray diffraction (XRD) and characterized accordingly. Moreover, the light harvesting and absorption properties were investigated via ultraviolet-visible diffuse reflectance spectrum (DRS); photo degradation efficiency was investigated via analyzing the photo catalytic degradation of Rhodamine B under visible illumination (xenon light). The performed analyses illustrated that Pd-MnO 2 codoped particles were successfully deposited onto the surface of the TiO 2 nanotube arrays; DRS results showed significant improvement in visible light absorption which was between 400 and 700nm. Finally, the photo catalytic degradation efficiency results of the designated organic pollutant (Rhodamine B) illustrated a superior photocatalytic (PC) efficiency of approximately 95% compared to the bare TiO 2 NTAs, which only exhibited a photo catalytic degradation efficiency of approximately 61%, thus it indicated the significant enhancement of the light absorption properties of fabricated photo electrodes and their yield of OH radicals. Copyright © 2017. Published by Elsevier B.V.

Magnetic structures and excitations in CePd2(Al,Ga)2 series: Development of the "vibron" states

NASA Astrophysics Data System (ADS)

Klicpera, M.; Boehm, M.; Doležal, P.; Mutka, H.; Koza, M. M.; Rols, S.; Adroja, D. T.; Puente Orench, I.; Rodríguez-Carvajal, J.; Javorský, P.

2017-02-01

CePd2Al2 -xGax compounds crystallizing in the tetragonal CaBe2Ge2 -type structure (space group P 4 /n m m ) and undergoing a structural phase transition to an orthorhombic structure (C m m e ) at low temperatures were studied by means of neutron scattering. The amplitude-modulated magnetic structure of CePd2Al2 is described by an incommensurate propagation vector k ⃗=(δx,1/2 +δy,0 ) with δx=0.06 and δy=0.04 . The magnetic moments order antiferromagnetically within the a b planes stacked along the c axis and are arranged along the direction close to the orthorhombic a axis with a maximum value of 1.5(1) μB/Ce3 +. CePd2Ga2 reveals a magnetic structure composed of two components: the first is described by the propagation vector k1⃗=(1/2 ,1/2 ,0 ) , and the second one propagates with k2⃗=(0 ,1/2 ,0 ) . The magnetic moments of both components are aligned along the same direction—the orthorhombic [100] direction—and their total amplitude varies depending on the mutual phase of magnetic moment components on each Ce site. The propagation vectors k1⃗ and k2⃗ describe also the magnetic structure of substituted CePd2Al2 -xGax compounds, except the one with x =0.1 .CePd2Al1.9Ga0.1 with magnetic structure described by k ⃗ and k1⃗ stays on the border between pure CePd2Al2 and the rest of the series. Determined magnetic structures are compared with other Ce 112 compounds. Inelastic neutron scattering experiments disclosed three nondispersive magnetic excitations in the paramagnetic state of CePd2Al2 , while only two crystal field (CF) excitations are expected from the splitting of ground state J =5/2 of the Ce3 + ion in a tetragonal/orthorhombic point symmetry. Three magnetic excitations at 1.4, 7.8, and 15.9 meV are observed in the tetragonal phase of CePd2Al2 . A structural phase transition to an orthorhombic structure shifts the first excitation up to 3.7 meV, while the other two excitations remain at almost the same energy. The presence of an additional

Enhanced luminescence in SrMgAl(x)O(17±δ):yMn4+ composite phosphors.

PubMed

Cao, Renping; Sharafudeen, Kaniyarakkal N; Qiu, Jianrong

2014-01-03

Red-emitting SrMgAlxO17±δ:yMn(4+) composite phosphors (x=10-100; y=0.05-4.0 mol%) are synthesized by solid-state reaction method in air. Addition of Al2O3 leads to the formation of two concomitant phases, i.e., SrMgAl10O17 and Al2O3 phases in the composite phosphor. Red emission from Mn(4+) ions in the composite phosphors is greatly enhanced due to multiple scattering and absorption of excitation light between SrMgAl10O17 and Al2O3 phases. SrMgAlxO17±δ:yMn(4+) composite phosphors would be a promising candidate as red phosphor in the application of a 397 nm near UV-based W-LED. Copyright © 2013 Elsevier B.V. All rights reserved.

Archaeal Haloarcula californiae Icosahedral Virus 1 Highlights Conserved Elements in Icosahedral Membrane-Containing DNA Viruses from Extreme Environments.

PubMed

Demina, Tatiana A; Pietilä, Maija K; Svirskaitė, Julija; Ravantti, Janne J; Atanasova, Nina S; Bamford, Dennis H; Oksanen, Hanna M

2016-07-19

viruses. Regardless of the enormous viral sequence diversity, all known viruses can be clustered into a few structure-based viral lineages based on their core virion components. Our description of a new halophilic virus-host system adds significant insights into the largely unstudied field of archaeal viruses and, in general, of life under extreme conditions. Comprehensive molecular characterization of HCIV-1 shows that this icosahedral internal membrane-containing virus exhibits conserved elements responsible for virion organization. This places the virus neatly in the PRD1-adenovirus structure-based lineage. HCIV-1 further highlights the limited diversity of virus morphotypes despite the astronomical number of viruses in the biosphere. The observed high conservation in the core virion elements should be considered in addressing such fundamental issues as the origin and evolution of viruses and their interplay with their hosts. Copyright © 2016 Demina et al.

Novel Montmorillonite/TiO₂/MnAl-Mixed Oxide Composites Prepared from Inverse Microemulsions as Combustion Catalysts.

PubMed

Napruszewska, Bogna D; Michalik-Zym, Alicja; Rogowska, Melania; Bielańska, Elżbieta; Rojek, Wojciech; Gaweł, Adam; Wójcik-Bania, Monika; Bahranowski, Krzysztof; Serwicka, Ewa M

2017-11-19

A novel design of combustion catalysts is proposed, in which clay/TiO₂/MnAl-mixed oxide composites are formed by intermixing exfoliated organo-montmorillonite with oxide precursors (hydrotalcite-like in the case of Mn-Al oxide) obtained by an inverse microemulsion method. In order to assess the catalysts' thermal stability, two calcination temperatures were employed: 450 and 600 °C. The composites were characterized with XRF (X-ray fluorescence), XRD (X-ray diffraction), HR SEM (high resolution scanning electron microscopy, N₂ adsorption/desorption at -196 °C, and H₂ TPR (temperature programmed reduction). Profound differences in structural, textural and redox properties of the materials were observed, depending on the presence of the TiO₂ component, the type of neutralization agent used in the titania nanoparticles preparation (NaOH or NH₃ (aq)), and the temperature of calcination. Catalytic tests of toluene combustion revealed that the clay/TiO₂/MnAl-mixed oxide composites prepared with the use of ammonia showed excellent activity, the composites obtained from MnAl hydrotalcite nanoparticles trapped between the organoclay layers were less active, but displayed spectacular thermal stability, while the clay/TiO₂/MnAl-mixed oxide materials obtained with the aid of NaOH were least active. The observed patterns of catalytic activity bear a direct relation to the materials' composition and their structural, textural, and redox properties.

Modeling the structural, dynamical, and magnetic properties of liquid Al1-xMnx ( x=0.14 , 0.2, and 0.4): A first-principles investigation

NASA Astrophysics Data System (ADS)

Jakse, N.; Pasturel, A.

2007-07-01

We report the results of first-principles molecular dynamics simulations of liquid Al1-xMnx alloys at three different compositions. The local structure as defined by the Bhatia-Thornton partial structure factors is found to display significant changes at x=0.4 . In addition, a structural analysis using three-dimensional pair-analysis techniques evidences a fivefold symmetry around x=0.14 , in agreement with the experimental quasicrystal-forming range, and an increasing complexity of the Frank-Kasper polytetrahedral symmetry around Mn atoms at x=0.4 . We also examine the time evolution of the configurations at the three compositions in terms of the mean-square displacements and self-diffusion coefficients. Finally, we show a strong interplay between the structural changes and the evolution of the magnetic properties of the Mn atoms as a function of composition.

Processing of Mn-Al nanostructured magnets by spark plasma sintering and subsequent rapid thermal annealing

NASA Astrophysics Data System (ADS)

Saravanan, P.; Vinod, V. T. P.; Černík, Miroslav; Selvapriya, A.; Chakravarty, Dibyendu; Kamat, S. V.

2015-01-01

The potential of spark plasma sintering (SPS) in combination with rapid thermal annealing (RTA) for the processing of Mn-Al nanostructured magnets is explored in this study. Ferromagnetic α-Mn alloy powders were processed by high-energy ball milling using Mn (56 at%) and Al (44 at%) as constituent metal elements. The alloying action between Mn and Al due to intensive milling was studied by X-ray diffraction and field-emission scanning electron microscope; while the phase transformation kinetics was investigated using differential scanning calorimetry. The evolution of ferromagnetic properties in the as-milled powders was studied by superconducting quantum interference device (SQUID). Among the Mn-Al alloy powders collected at various milling intervals, the 25 h milled Mn-Al powders showed a good combination of coercivity, Hc (11.3 kA/m) and saturation magnetization, Ms (5.0 A/m2/kg); accordingly, these powders were chosen for SPS. The SPS experiments were conducted at different temperatures: 773, 873 and 973 K and its effect on the density, phase composition and magnetic properties of the Mn-Al bulk samples were investigated. Upon increasing the SPS temperature from 773 to 973 K, the bulk density was found to increase from 3.6 to 4.0 g/cm3. The occurrence of equilibrium β-phase with significant amount of γ2-phase was obvious at all the SPS temperatures; however, crystallization of some amount of τ-phase was evident at 973 K. Irrespective of the SPS temperatures, all the samples demonstrated soft magnetic behavior with Hc and Ms values similar to those obtained for the 25 h milled powders. The magnetic properties of the SPSed samples were significantly improved upon subjecting them to RTA at 1100 K. Through the RTA process, Hc values of 75, 174 and 194 kA/m and Ms values of 19, 21 and 28 A/m2/kg were achieved for the samples SPSed at 773, 873 and 973 K, respectively. The possible reasons for the observed improvement in the magnetic properties of the SPSed

Al-doped TiO{sub 2} mesoporous material supported Pd with enhanced catalytic activity for complete oxidation of ethanol

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

Zhu, Jing, E-mail: mlczjsls123@163.com; Mu, Wentao, E-mail: mwt15035687833@163.com; Su, Liqing, E-mail: suliqing0163@163.com

Pd catalysts supported on Al-doped TiO{sub 2} mesoporous materials were evaluated in complete oxidation of ethanol. The catalysts synthesized by wet impregnation based on evaporation-induced self-assembly were characterized by X-ray diffraction, measurement of pore structure, XPS, FT-IR, temperature programmed reduction and TEM. Characteristic results showed that the aluminium was doped into the lattice of mesoporous anatase TiO{sub 2} to form Al-O-Ti defect structure. Catalytic results revealed that Al-doped catalysts were much more active than the pristine one, especially at low temperature (≤200 °C). This should be ascribed to the introduction of aluminium ions that suppressed the strong metal-support interaction andmore » increased the active sites of Pd oxides, enhanced the stabilized anatase TiO{sub 2}, improved well dispersed high valence palladium species with high reducibility and enriched chemisorption oxygen. - Graphical abstract: Al-doped Pd/TiO{sub 2} exhibited optimal catalytic performance for ethanol oxidation and CO{sub 2} yield by the suppression of SMSI. - Highlights: • Palladium catalysts supported on Al-doped TiO{sub 2} mesoporous materials were studied. • The introduction of Al can enhance anatase stabilization and increase defect TiO{sub 2}. • The Pd/Al-TiO{sub 2} catalysts show higher ethanol conversion and CO{sub 2} yield than Pd/TiO{sub 2}. • The influence of Al on SMSI and catalytic performance were evaluated by TPR and XPS.« less

From Glass Formation to Icosahedral Ordering by Curving Three-Dimensional Space.

PubMed

Turci, Francesco; Tarjus, Gilles; Royall, C Patrick

2017-05-26

Geometric frustration describes the inability of a local molecular arrangement, such as icosahedra found in metallic glasses and in model atomic glass formers, to tile space. Local icosahedral order, however, is strongly frustrated in Euclidean space, which obscures any causal relationship with the observed dynamical slowdown. Here we relieve frustration in a model glass-forming liquid by curving three-dimensional space onto the surface of a 4-dimensional hypersphere. For sufficient curvature, frustration vanishes and the liquid "freezes" in a fully icosahedral structure via a sharp "transition." Frustration increases upon reducing the curvature, and the transition to the icosahedral state smoothens while glassy dynamics emerge. Decreasing the curvature leads to decoupling between dynamical and structural length scales and the decrease of kinetic fragility. This sheds light on the observed glass-forming behavior in Euclidean space.

B2+L2{sub 1} ordering in Co{sub 2}MnAl Heusler alloy

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

Vinesh, A., E-mail: attatappa85@gmail.com; Sudheesh, V. D.; Lakshmi, N.

Magnetic and structural properties of B2 ordered Co{sub 2}MnAl Heusler alloy have been studied by X-ray diffraction and DC magnetization techniques. X-ray diffractogram shows the structure is of B2 type with preferential site disorder between Mn and Al atoms and presence of a small L2{sub 1} phase. DC magnetization studies at low temperature establish that the antiferromagnetic nature arises mainly due to the antiparallel coupling of spin moments of 3d electrons of Co with Mn atoms. Curie temperature (T{sub c}) is 733 K which is close to T{sub c} of the L2{sub 1} phase.

Thermal properties of Pr2/3Sr1/3MnO3 manganites:PdO composites

NASA Astrophysics Data System (ADS)

Rao, Ashok; Manjunatha, S. O.; Bhatt, Ramesh Chandra; Awana, V. P. S.; Lin, C. F.; Kuo, Y. K.; Poornesh, P.

2017-10-01

In the present communication the results on thermal conductivity, Seebeck coefficient and specific heat of Pr2/3Sr1/3MnO3:PdO composites are reported. All the samples exhibit a pronounced anomaly in thermal conductivity (κ) at their respective Curie temperatures, TC of the samples. It is also observed that the overall magnitude of κ decreases with increasing Pd content. The observed reduction of the total k(T) is discussed with various thermal scattering mechanisms. The temperature-dependent Seebeck coefficient data S(T) in the high temperature region is analyzed within the framework of Mott's polaron hopping model. The analysis of low-temperature S(T) data reveals that the electron-magnon scattering contribution dominates the thermoelectric transport at low temperatures. The magnetic contribution for the CP and change in entropy (ΔS) during the magnetic phase transition is also evaluated.

Self-similarity and self-inversion of quasicrystals

NASA Astrophysics Data System (ADS)

Madison, A. E.

2014-08-01

The discovery of quasicrystals played a revolutionary role in the condensed matter science and forced to renounce the dogma of the classical crystallography that the regular filling of the space by identical blocks is reduced solely to the Fedorov space groups. It is shown that aperiodic crystals, apart from the similarity, exhibit the self-inversion property. In a broadened sense, the self-inversion implies the possible composition of the inversion with translations, rotations, and homothety, whereas pure reflection by itself in a circle can be absent as an independent symmetry element. It is demonstrated that the symmetry of aperiodic tilings is described by Schottky groups (which belong to a particular type of Kleinian groups generated by the linear fractional Möbius transformations); in the theory of aperiodic crystals, the Schottky groups play the same role that the Fedorov groups play in the theory of crystal lattices. The local matching rules for the Penrose fractal tiling are derived, the problem of choice of the fundamental region of the group of motions of a quasicrystal is discussed, and the relation between the symmetry of aperiodic tilings and the symmetry of constructive fractals is analyzed.

Interpenetration of a 3D Icosahedral M@Ni12 (M=Al, Ga) Framework with Porphyrin-Reminiscent Boron Layers in MNi9 B8.

PubMed

Zheng, Qiang; Wagner, Frank R; Ormeci, Alim; Prots, Yurii; Burkhardt, Ulrich; Schmidt, Marcus; Schnelle, Walter; Grin, Yuri; Leithe-Jasper, Andreas

2015-11-09

Two ternary borides MNi9 B8 (M=Al, Ga) were synthesized by thermal treatment of mixtures of the elements. Single-crystal X-ray diffraction data reveal AlNi9 B8 and GaNi9 B8 crystallizing in a new type of structure within the space group Cmcm and the lattice parameters a=7.0896(3) Å, b=8.1181(3) Å, c=10.6497(4) Å and a=7.0897(5) Å, b=8.1579(4) Å, c=10.6648(7) Å, respectively. The boron atoms build up two-dimensional layers, which consist of puckered [B16 ] rings with two tailing B atoms, whereas the M atoms reside in distorted vertices-condensed [Ni12 ] icosahedra, which form a three-dimensional framework interpenetrated by boron porphyrin-reminiscent layers. An unusual local arrangement resembling a giant metallo-porphyrin entity is formed by the [B16 ] rings, which, due to their large annular size of approximately 8 Å, chelate four of the twelve icosahedral Ni atoms. An analysis of the chemical bonding by means of the electron localizability approach reveals strong covalent B-B interactions and weak Ni-Ni interactions. Multi-center dative B-Ni interaction occurs between the Al-Ni framework and the boron layers. In agreement with the chemical bonding analysis and band structure calculations, AlNi9 B8 is a Pauli-paramagnetic metal. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ultrasmall PdmMn1-mOx binary alloyed nanoparticles on graphene catalysts for ethanol oxidation in alkaline media

NASA Astrophysics Data System (ADS)

Ahmed, Mohammad Shamsuddin; Park, Dongchul; Jeon, Seungwon

2016-03-01

A rare combination of graphene (G)-supported palladium and manganese in mixed-oxides binary alloyed catalysts (BACs) have been synthesized with the addition of Pd and Mn metals in various ratios (G/PdmMn1-mOx) through a facile wet-chemical method and employed as an efficient anode catalyst for ethanol oxidation reaction (EOR) in alkaline fuel cells. The as prepared G/PdmMn1-mOx BACs have been characterized by several instrumental techniques; the transmission electron microscopy images show that the ultrafine alloyed nanoparticles (NPs) are excellently monodispersed onto the G. The Pd and Mn in G/PdmMn1-mOx BACs have been alloyed homogeneously, and Mn presents in mixed-oxidized form that resulted by X-ray diffraction. The electrochemical performances, kinetics and stability of these catalysts toward EOR have been evaluated using cyclic voltammetry in 1 M KOH electrolyte. Among all G/PdmMn1-mOx BACs, the G/Pd0.5Mn0.5Ox catalyst has shown much superior mass activity and incredible stability than that of pure Pd catalysts (G/Pd1Mn0Ox, Pd/C and Pt/C). The well dispersion, ultrafine size of NPs and higher degree of alloying are the key factor for enhanced and stable EOR electrocatalysis on G/Pd0.5Mn0.5Ox.

Emergent quasicrystals in strongly correlated systems

NASA Astrophysics Data System (ADS)

Sagi, Eran; Nussinov, Zohar

2016-07-01

Commensurability is of paramount importance in numerous strongly interacting electronic systems. In the fractional quantum Hall effect, a rich cascade of increasingly narrow plateaux appear at larger denominator filling fractions. Rich commensurate structures also emerge, at certain filling fractions, in high temperature superconductors and other electronic systems. A natural question concerns the character of these and other electronic systems at irrational filling fractions. Here we demonstrate that quasicrystalline structures naturally emerge in these situations, and trigger behaviors not typically expected of periodic systems. We first show that irrationally filled quantum Hall systems cross over into quasiperiodically ordered configuration in the thin-torus limit. Using known properties of quasicrystals, we argue that these states are unstable against the effects of disorder, in agreement with the existence of quantum Hall plateaux. We then study analogous physical situations in a system of cold Rydberg atoms placed on an optical lattice. Such an experimental setup is generally disorder free, and can therefore be used to detect the emergent quasicrystals we predict. We discuss similar situations in the Falicov-Kimball model, where known exact results can be used to establish quasicrystalline structures in one and two dimensions. We briefly speculate on possible relations between our theoretical findings and the existence of glassy dynamics and other features of strongly correlated electronic systems.

Microstructure and magnetic behavior studies of processing-controlled and composition-modified Fe-Ni and Mn-Al alloys

NASA Astrophysics Data System (ADS)

Geng, Yunlong

L10-type (Space group P4/mmm) magnetic compounds, including FeNi and MnAl, possess promising technical magnetic properties of both high magnetization and large magnetocrystalline anisotropy energy, and thus offer potential in replacing rare earth permanent magnets in some applications. In equiatomic Fe-Ni, the disorder-order transformation from fcc structure to the L10 structure is a diffusional transformation, but is inhibited by the low ordering temperature. The transformation could be enhanced through the creation of vacancies. Thus, mechanical alloying was employed to generate more open-volume defects. A decrease in grain size and concomitant increase in grain boundary area resulted from the mechanical alloying, while an initial increase in internal strain (manifested through an increase in dislocation density) was followed by a subsequent decrease with further alloying. However, a decrease in the net defect concentration was determined by Doppler broadening positron annihilation spectroscopy, as open volume defects utilized dislocations and grain boundaries as sinks. An alloy, Fe32Ni52Zr3B13, formed an amorphous structure after rapid solidification, with a higher defect concentration than crystalline materials. Mechanical milling was utilized in an attempt to generate even more defects. However, it was observed that Fe32Ni52Zr3B13 underwent crystallization during the milling process, which appears to be related to enhanced vacancy-type defect concentrations allowing growth of pre-existing Fe(Ni) nuclei. The milling and enhanced vacancy concentration also de-stabilizes the glass, leading to decreased crystallization temperatures, and ultimately leading to complete crystallization. In Mn-Al, the L10 structure forms from the parent hcp phase. However, this phase is slightly hyperstoichiometric relative to Mn, and the excess Mn occupies Al sites and couples antiparallel to the other Mn atoms. In this study, the Zr substituted preferentially for the Mn atoms in the

Tailoring magnetic behavior of CoFeMnNiX (X = Al, Cr, Ga, and Sn) high entropy alloys by metal doping

DOE PAGES

Zuo, Tingting; Gao, Michael C.; Ouyang, Lizhi; ...

2017-03-07

Magnetic materials with excellent performances are desired for functional applications. Based on the high-entropy effect, a system of CoFeMnNiX (X = Al, Cr, Ga, and Sn) magnetic alloys are designed and investigated. The dramatic change in phase structures from face-centered-cubic (FCC) to ordered body-centered-cubic (BCC) phases, caused by adding Al, Ga, and Sn in CoFeMnNiX alloys, originates from the potent short-range chemical order in the liquid state predicted by ab initio molecular dynamics (AIMD) simulations. This phase transition leads to the significant enhancement of the saturation magnetization (M s), e.g., the CoFeMnNiAl alloy has M s of 147.86 Am 2/kg.more » In conclusion, first-principles density functional theory (DFT) calculations on the electronic and magnetic structures reveal that the anti-ferromagnetism of Mn atoms in CoFeMnNi is suppressed especially in the CoFeMnNiAl HEA because Al changes the Fermi level and itinerant electron-spin coupling that lead to ferromagnetism.« less

Observation of the TWIP + TRIP Plasticity-Enhancement Mechanism in Al-Added 6 Wt Pct Medium Mn Steel

NASA Astrophysics Data System (ADS)

Lee, Seawoong; Lee, Kyooyoung; De Cooman, Bruno C.

2015-06-01

The intercritically annealed Fe-0.15 pctC-6.0 pctMn-1.5 pctSi-3.0 pctAl and Fe-0.30 pctC-6.0 pctMn-1.5 pctSi-3.0 pctAl medium Mn steels were found to have improved mechanical properties due to the TWIP and TRIP plasticity-enhancing mechanisms being activated in succession during tensile deformation. The increase of the C content from 0.15 to 0.30 pct resulted in ultra-high strength properties and a strength-ductility balance of approximately 65,000 MPa-pct, i.e., equivalent to the strength-ductility balance of high Mn TWIP steel with a fully austenitic microstructure.

Effects of Manganese Content on Solidification Structures, Thermal Properties, and Phase Transformation Characteristics in Fe-Mn-Al-C Steels

NASA Astrophysics Data System (ADS)

Yang, Jian; Wang, Yu-Nan; Ruan, Xiao-Ming; Wang, Rui-Zhi; Zhu, Kai; Fan, Zheng-Jie; Wang, Ying-Chun; Li, Cheng-Bin; Jiang, Xiao-Fang

2015-04-01

To assist developments of the continuous-casting technology of Fe-Mn-Al-C steels, the solidification structures and the thermal properties of Fe-Mn-Al-C steel ingots with different manganese contents have been investigated and the phase transformation characteristics have been revealed by FactSage (CRCT-ThermFact Inc., Montréal, Canada). The results show that the thermal conductivity of the 0Mn steel is the highest, whereas the thermal conductivity of the 8Mn steel is slightly higher than that of the 17Mn steel. Increasing the manganese content promotes a columnar solidification structure and coarse grains in steel. With the increase of manganese content, the mass fraction of austenite phase is increased. Finally, a single austenite phase is formed in the 17Mn steel. The mean thermal expansion coefficients of the steels are in the range from 1.3 × 10-5 to 2.3 × 10-5 K-1, and these values increase with the increase of manganese content. The ductility of the 17Mn steel and the 8Mn steel are higher than 40 pct in the temperature range from 873 K to 1473 K (600 °C to 1200 °C), and the cracking during the straightening operation should be avoided. However, the ductility of the 0Mn steel is lower than 40 pct at 973 K and 1123 K (700 °C and 850 °C), which indicates that the temperature of the straightening operation during the continuous-casting process should be above 1173 K (900 °C). Manganese has the effect of enlarging the austenite phase region and reducing the δ-ferrite phase region and α-ferrite phase region. At the 2.1 mass pct aluminum level, the precipitate temperature of AlN is high. Thus, the formed AlN is too coarse to deteriorate the hot ductility of steel.

The Connection Between Local Icosahedral Order in Metallic Liquids and the Nucleation of Ordered Phases

NASA Technical Reports Server (NTRS)

Curreri, Peter A. (Technical Monitor); Kelton, K. F.; Gangopadhyay, A.; Lee, G. W.; Hyers, R. W.; Rathz, R. J.; Rogers, J.; Schenk, T.; Simonet, V.; Holland-Moritz, D.

2003-01-01

Over fifty years ago, David Turnbull showed that the temperature of many metallic liquids could be decreased far below their equilibrium melting temperature before crystallization occurred. To explain those surprising results, Charles Frank hypothesized that the local structures of undercooled metallic liquids are different from those of crystal phases, containing a significant degree of icosahedral order that is incompatible with extended periodicity. Such structural differences must create a barrier to the formation crystal phases, explaining the observed undercooling behavior. If true, the nucleation from the liquid of phases with extended icosahedral order should be easier. Icosahedral order is often favored in small clusters, as observed recently in liquid-like clusters of pure Pb on the (111) surface of Si, for example. However, it has never been shown that an increasing preference for icosahedral phase formation can be directly linked with the development of icosahedral order in the undercooled liquid. Owing to the combination of very recent advances in levitation techniques and the availability of synchrotron x-ray and high flux neutron facilities, this is shown here.

The Connection Between Local Icosahedral Order in Metallic Liquids and the Nucleation of Ordered Phases

NASA Technical Reports Server (NTRS)

Kelton, K. F.; Gangopadhyay, A. K.; Lee, G. W.; Hyers, R. W.; Rathz, T. J.; Rogers, J. R.; Robinson, M. B.; Schenk, T.; Simonet, V.; Holland-Moritz, D.;

LaAlO3:Mn4+ as Near-Infrared Emitting Persistent Luminescence Phosphor for Medical Imaging: A Charge Compensation Study

PubMed Central

De Clercq, Olivier Q.; Korthout, Katleen

2017-01-01

Mn4+-activated phosphors are emerging as a novel class of deep red/near-infrared emitting persistent luminescence materials for medical imaging as a promising alternative to Cr3+-doped nanomaterials. Currently, it remains a challenge to improve the afterglow and photoluminescence properties of these phosphors through a traditional high-temperature solid-state reaction method in air. Herein we propose a charge compensation strategy for enhancing the photoluminescence and afterglow performance of Mn4+-activated LaAlO3 phosphors. LaAlO3:Mn4+ (LAO:Mn4+) was synthesized by high-temperature solid-state reaction in air. The charge compensation strategies for LaAlO3:Mn4+ phosphors were systematically discussed. Interestingly, Cl−/Na+/Ca2+/Sr2+/Ba2+/Ge4+ co-dopants were all found to be beneficial for enhancing LaAlO3:Mn4+ luminescence and afterglow intensity. This strategy shows great promise and opens up new avenues for the exploration of more promising near-infrared emitting long persistent phosphors for medical imaging. PMID:29231901

Effect of Al and Mg Contents on Wettability and Reactivity of Molten Zn-Al-Mg Alloys on Steel Sheets Covered with MnO and SiO2 Layers

NASA Astrophysics Data System (ADS)

Huh, Joo-Youl; Hwang, Min-Je; Shim, Seung-Woo; Kim, Tae-Chul; Kim, Jong-Sang

2018-05-01

The reactive wetting behaviors of molten Zn-Al-Mg alloys on MnO- and amorphous (a-) SiO2-covered steel sheets were investigated by the sessile drop method, as a function of the Al and Mg contents in the alloys. The sessile drop tests were carried out at 460 °C and the variation in the contact angles (θc) of alloys containing 0.2-2.5 wt% Al and 0-3.0 wt% Mg was monitored for 20 s. For all the alloys, the MnO-covered steel substrate exhibited reactive wetting whereas the a-SiO2-covered steel exhibited nonreactive, nonwetting (θc > 90°) behavior. The MnO layer was rapidly removed by Al and Mg contained in the alloys. The wetting of the MnO-covered steel sheet significantly improved upon increasing the Mg content but decreased upon increasing the Al content, indicating that the surface tension of the alloy droplet is the main factor controlling its wettability. Although the reactions of Al and Mg in molten alloys with the a-SiO2 layer were found to be sluggish, the wettability of Zn-Al-Mg alloys on the a-SiO2 layer improved upon increasing the Al and Mg contents. These results suggest that the wetting of advanced high-strength steel sheets, the surface oxide layer of which consists of a mixture of MnO and SiO2, with Zn-Al-Mg alloys could be most effectively improved by increasing the Mg content of the alloys.

Effects of Al addition on atomic structure of Cu-Zr metallic glass

NASA Astrophysics Data System (ADS)

Li, Feng; Zhang, Huajian; Liu, Xiongjun; Dong, Yuecheng; Yu, Chunyan; Lu, Zhaoping

2018-02-01

The atomic structures of Cu52Zr48 and Cu45Zr48Al7 metallic glasses (MGs) have been studied by molecular dynamic simulations. The results reveal that the molar volume of the Cu45Zr48Al7 MG is smaller than that of the Cu52Zr48 MG, although the size of the Al atom is larger than that of the Cu atom, implying an enhanced atomic packing density achieved by introducing Al into the ternary MG. Bond shortening in unlike atomic pairs Zr-Al and Cu-Al is observed in the Cu45Zr48Al7 MG, which is attributed to strong interactions between Al and (Zr, Cu) atoms. Meanwhile, the atomic packing efficiency is enhanced by the minor addition of Al. Compared with the Cu52Zr48 binary MG, the potential energy of the ternary MG decreases and the glass transition temperature increases. Structural analyses indicate that more Cu- and Al-centered full icosahedral clusters emerge in the Cu45Zr48Al7 MG as some Cu atoms are substituted by Al. Furthermore, the addition of Al leads to more icosahedral medium-range orders in the ternary MG. The increase of full icosahedral clusters and the enhancement of the packing density are responsible for the improved glass-forming ability of Cu45Zr48Al7.

High Temperature Deformation of Twin-Roll Cast Al-Mn-Based Alloys after Equal Channel Angular Pressing.

PubMed

Málek, Přemysl; Šlapáková Poková, Michaela; Cieslar, Miroslav

2015-11-12

Twin roll cast Al-Mn- and Al-Mn-Zr-based alloys were subjected to four passes of equal channel angular pressing. The resulting grain size of 400 nm contributes to a significant strengthening at room temperature. This microstructure is not fully stable at elevated temperatures and recrystallization and vast grain growth occur at temperatures between 350 and 450 °C. The onset of these microstructure changes depends on chemical and phase composition. Better stability is observed in the Al-Mn-Zr-based alloy. High temperature tensile tests reveal that equal channel angular pressing results in a softening of all studied materials at high temperatures. This can be explained by an active role of grain boundaries in the deformation process. The maximum values of ductility and strain rate sensitivity parameter m found in the Al-Mn-Zr-based alloy are below the bottom limit of superplasticity (155%, m = 0.25). However, some features typical for superplastic behavior were observed-the strain rate dependence of the parameter m , the strengthening with increasing grain size, and the fracture by diffuse necking. Grain boundary sliding is believed to contribute partially to the overall strain in specimens where the grain size remained in the microcrystalline range.

High Temperature Deformation of Twin-Roll Cast Al-Mn-Based Alloys after Equal Channel Angular Pressing

PubMed Central

Málek, Přemysl; Šlapáková Poková, Michaela; Cieslar, Miroslav

2015-01-01

Twin roll cast Al-Mn- and Al-Mn-Zr-based alloys were subjected to four passes of equal channel angular pressing. The resulting grain size of 400 nm contributes to a significant strengthening at room temperature. This microstructure is not fully stable at elevated temperatures and recrystallization and vast grain growth occur at temperatures between 350 and 450 °C. The onset of these microstructure changes depends on chemical and phase composition. Better stability is observed in the Al-Mn-Zr-based alloy. High temperature tensile tests reveal that equal channel angular pressing results in a softening of all studied materials at high temperatures. This can be explained by an active role of grain boundaries in the deformation process. The maximum values of ductility and strain rate sensitivity parameter m found in the Al-Mn-Zr-based alloy are below the bottom limit of superplasticity (155%, m = 0.25). However, some features typical for superplastic behavior were observed—the strain rate dependence of the parameter m, the strengthening with increasing grain size, and the fracture by diffuse necking. Grain boundary sliding is believed to contribute partially to the overall strain in specimens where the grain size remained in the microcrystalline range. PMID:28793667

On the stability of a quasicrystal and its crystalline approximant in a system of hard disks with a soft corona

NASA Astrophysics Data System (ADS)

Pattabhiraman, Harini; Gantapara, Anjan P.; Dijkstra, Marjolein

2015-10-01

Using computer simulations, we study the phase behavior of a model system of colloidal hard disks with a diameter σ and a soft corona of width 1.4σ. The particles interact with a hard core and a repulsive square-shoulder potential. We calculate the free energy of the random-tiling quasicrystal and its crystalline approximants using the Frenkel-Ladd method. We explicitly account for the configurational entropy associated with the number of distinct configurations of the random-tiling quasicrystal. We map out the phase diagram and find that the random tiling dodecagonal quasicrystal is stabilised by entropy at finite temperatures with respect to the crystalline approximants that we considered, and its stability region seems to extend to zero temperature as the energies of the defect-free quasicrystal and the crystalline approximants are equal within our statistical accuracy.

Band gap depiction of quaternary FeMnTiAl alloy using Hubbard (U) potential

NASA Astrophysics Data System (ADS)

Bhat, Tahir Mohiuddin; Yousuf, Saleem; Khandy, Shakeel Ahmad; Gupta, Dinesh C.

2018-05-01

We have employed self-consistent ab-initio calculations to investigate new quaternary alloy FeMnTiAl by applying Hubbard potential (U). The alloy is found to be stable in ferromagnetic phase with cubic structure. The alloy shows half-metallic (HM) ferromagnet character. The values of minority band gap FeMnTiAl are found to be 0.33 eV respectively. Electronic charge density reveals that both types of bonds covalent as well as ionic are present in the alloy. Thus the new quaternary alloy can be proved as vital contender for spin valves and spin generator devices.

Effect of AlP coating on electrochemical properties of LiMn{sub 2}O{sub 4} cathode material for lithium ion battery

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

Feng, Xiaoyu; Zhang, Jianxin, E-mail: jianxin@sdu.edu.cn; Yin, Longwei

2016-02-15

Highlights: • Modified LiMn{sub 2}O{sub 4} surface with AlP successfully. • AlP coating surface modification enhances the cycling stability of LiMn{sub 2}O{sub 4} at both room temperature and 60 °C. • AlP coating surface modification improves the rate capability of LiMn{sub 2}O{sub 4}. - Abstract: AlP-modified LiMn{sub 2}O{sub 4} has been synthesized via a simple chemical deposition method followed by high-temperature heating. The X-ray diffraction patterns, SEM images and Energy Dispersive Spectrometer show the successful surface coating of LiMn{sub 2}O{sub 4} by F-43 m crystal form AlP. AlP-modified LiMn{sub 2}O{sub 4} has a high discharge capacity of 125.7 mAh g{supmore » −1} with retention of 87% at a current density of 1C between 3.3 V and 4.3 V after 100 cycles at 60 °C, while bare LiMn{sub 2}O{sub 4} has more than 28% capacity loss. At 10 rates, the coated sample delivers capacity of 100 mAh g{sup −1}, which is much higher than bare LiMn{sub 2}O{sub 4}. Based on the EIS (electrochemical impedance spectroscopy) result, AlP coating can effectively inhibit the increase of the charge transfer resistance during charging and discharging cycles.« less

Neutron Powder Diffraction Study on the Magnetic Structure of NdPd 5 Al 2

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

Metoki, Naoto; Yamauchi, Hiroki; Kitazawa, Hideaki

The magnetic structure of NdPd 5Al 2 has been studied by neutron powder diffraction. Here, we observed the magnetic reflections with the modulation vector q=(1/2,0,0)q=(1/2,0,0) below the ordering temperature T N. We also found a collinear magnetic structure with a Nd moment of 2.7(3) μB at 0.5 K parallel to the c-axis, where the ferromagnetically ordered a-planes stack with a four-Nd-layer period having a ++-- sequence along the a-direction with the distance between adjacent Nd layers equal to a/2 (magnetic space group P anma). This “stripe”-like modulation is very similar to that in CePd 5Al 2 with q=(0.235,0.235,0)q=(0.235,0.235,0) with themore » Ce moment parallel to the c-axis. These structures with in-plane modulation are a consequence of the two-dimensional nature of the Fermi surface topology in this family, originating from the unique crystal structure with a very long tetragonal unit cell and a large distance of >7 Å between the rare-earth layers separated by two Pd and one Al layers.« less

Neutron Powder Diffraction Study on the Magnetic Structure of NdPd 5 Al 2

DOE PAGES

Metoki, Naoto; Yamauchi, Hiroki; Kitazawa, Hideaki; ...

2017-02-24

The magnetic structure of NdPd 5Al 2 has been studied by neutron powder diffraction. Here, we observed the magnetic reflections with the modulation vector q=(1/2,0,0)q=(1/2,0,0) below the ordering temperature T N. We also found a collinear magnetic structure with a Nd moment of 2.7(3) μB at 0.5 K parallel to the c-axis, where the ferromagnetically ordered a-planes stack with a four-Nd-layer period having a ++-- sequence along the a-direction with the distance between adjacent Nd layers equal to a/2 (magnetic space group P anma). This “stripe”-like modulation is very similar to that in CePd 5Al 2 with q=(0.235,0.235,0)q=(0.235,0.235,0) with themore » Ce moment parallel to the c-axis. These structures with in-plane modulation are a consequence of the two-dimensional nature of the Fermi surface topology in this family, originating from the unique crystal structure with a very long tetragonal unit cell and a large distance of >7 Å between the rare-earth layers separated by two Pd and one Al layers.« less

Coupling catalytic hydrolysis and oxidation on Mn/TiO2-Al2O3 for HCN removal

NASA Astrophysics Data System (ADS)

Wang, Langlang; Wang, Xueqian; Cheng, Jinhuan; Ning, Ping; Lin, Yilong

2018-05-01

The manganese-modified titania-alumina (Mn/TiO2-Al2O3) catalyst synthesized by sol-gol method was used to remove hydrogen cyanide (HCN) from simulated flue gas. Further, effects of the mass ratios of Ti/Al, Mn loading, calcination temperature, and relative humidity on HCN conversion efficiency and catalytic activity were systematically investigated. The results indicated that the Mn/TiO2-Al2O3 catalyst exhibited significantly enhanced HCN removal efficiency, and the maximum yield of N2 increased to 68.02% without the participation of water vapor. When water vapor was added into the flue gas, the yield of N2 decreased and the formation of NOx was also inhibited. The XRD and XPS results indicated that Mn was mainly present in the form of Mn2+, Mn3+, and Mn4+ on the surface of catalyst and chemisorbed oxygen played a major role in the HCN catalytic oxidation process. The results of DSC-TGA analysis and H2-TPR indicated that the catalyst also exhibited a good thermal and chemical stability. NH3-TPD and CO2-TPD indicated that the surface of the catalyst mainly contained acidic sites. During the reaction, part of NH3 was adsorbed by Brönsted and Lewis acid sites. NH3 adsorbed on Lewis acid sites participated in NH3-SCR, which reduced the amount of NOx produced and resulted in a high N2 yield.

Different Effects of Al Substitution for Mn or Fe on the Structure and Electrochemical Properties of Na0.67Mn0.5Fe0.5O2 as a Sodium Ion Battery Cathode Material.

PubMed

Wang, Huibo; Gao, Rui; Li, Zhengyao; Sun, Limei; Hu, Zhongbo; Liu, Xiangfeng

2018-05-07

P2-type layered oxides based on the elements Fe and Mn have attracted great interest as sodium ion battery (SIB) cathode materials owing to their inexpensive metal constituents and high specific capacity. However, they suffer from rapid capacity fading and complicated phase transformations. In this study, we modulate the crystal structure and optimize the electrochemical performances of Na 0.67 Mn 0.5 Fe 0.5 O 2 by Al doping for Mn or Fe, respectively, and the roles of Al in the enhancement of the rate capability and cycling performance are unraveled. (1) The substitution of Al for Mn or Fe decreases the lattice parameters a and c but enlarges d spacing and lengthens Na-O bonds, which enhances Na + diffusion and rate capability especially for Na 0.67 Mn 0.5 Fe 0.47 Al 0.03 O 2 . (2) Al doping reduces the thickness of TMO 2 and strengthens TM-O/O-O bonding. This enhances the layered structure stability and the capacity retention. (3) Al doping mitigates Mn 3+ and Jahn-Teller distortion, mitigating the irreversible phase transition. (4) Al doping also alleviates the lattice volume variation and the structure strain. This further improves the stability of the layered structure and the cycling performances particularly in the case of Al doping for Fe. The in-depth insights into the roles of Al substitution might be also useful for designing high-performance cathode materials for SIBs through appropriate lattice doping.

The Effects of Bismuth Oxide on Microstructures and Magnetic Properties of Mn-Mg-Al Ferrites

NASA Astrophysics Data System (ADS)

Nekouee, Kh. A.; Rahimi, A. H.; Haghighi, M. Alineghad; Ehsani, N.

2018-04-01

In the present paper, the effects of bismuth oxide as an additive on microstructure and magnetic properties of Mg0.9Mn0.1Al0.4Fe1.6O4 were investigated. Mg-Mn-Al ferrite powders were prepared by the conventional solid state synthesis method. Two different amounts of bismuth oxide (2.5 wt.% and 5 wt.%) were utilized as the sintering aid and their microstructure and physical properties were compared to those of the sample without additives. X-ray diffraction (XRD) analysis indicated that crystal lattice distortion due to the microstructural constraints as the result from incorporation of bismuth oxide into the microstructure was developed by adding bismuth oxide. XRD Rietveld refinement was used to define the cation distribution and to refine the lattice parameter and oxygen parameter for the sample without bismuth oxide as (Mg0.16Mn0.02Al0.15Fe0.77)A(Mg0.74Mn0.08Al0.25Fe0.83)BO4 and 8.3308 Å and 0.2542, respectively. Microstructure studies show that a bismuth rich liquid phase forms during the sintering at 1250°C, which enhances the densification of sintered bodies up to 13% (a relative density of 93%). Magnetization of sintered samples were increased from 21.1 emu/g to 26.2 emu/g upon addition of 2.5 wt.% bismuth oxide and then decreased to 24.9 emu/g when 5 wt.% bismuth oxide was added.

Icosahedral plant viral nanoparticles - bioinspired synthesis of nanomaterials/nanostructures.

PubMed

Narayanan, Kannan Badri; Han, Sung Soo

2017-10-01

Viral nanotechnology utilizes virus nanoparticles (VNPs) and virus-like nanoparticles (VLPs) of plant viruses as highly versatile platforms for materials synthesis and molecular entrapment that can be used in the nanotechnological fields, such as in next-generation nanoelectronics, nanocatalysis, biosensing and optics, and biomedical applications, such as for targeting, therapeutic delivery, and non-invasive in vivo imaging with high specificity and selectivity. In particular, plant virus capsids provide biotemplates for the production of novel nanostructured materials with organic/inorganic moieties incorporated in a very precise and controlled manner. Interestingly, capsid proteins of spherical plant viruses can self-assemble into well-organized icosahedral three-dimensional (3D) nanoscale multivalent architectures with high monodispersity and structural symmetry. Using viral genetic and protein engineering of icosahedral viruses with a variety of sizes, the interior, exterior and the interfaces between coat protein (CP) subunits can be manipulated to fabricate materials with a wide range of desirable properties allowing for biomineralization, encapsulation, infusion, controlled self-assembly, and multivalent ligand display of nanoparticles or molecules for varied applications. In this review, we discuss the various functional nanomaterials/nanostructures developed using the VNPs and VLPs of different icosahedral plant viruses and their nano(bio)technological and nanomedical applications. Copyright © 2017 Elsevier B.V. All rights reserved.

Compensated Ferrimagnetism in the Zero-Moment Heusler Alloy Mn3Al

NASA Astrophysics Data System (ADS)

Jamer, Michelle E.; Wang, Yung Jui; Stephen, Gregory M.; McDonald, Ian J.; Grutter, Alexander J.; Sterbinsky, George E.; Arena, Dario A.; Borchers, Julie A.; Kirby, Brian J.; Lewis, Laura H.; Barbiellini, Bernardo; Bansil, Arun; Heiman, Don

2017-06-01

While antiferromagnets have been proposed as components to limit stray magnetic fields, their inability to be spin polarized inhibits their use in spintronic devices. Compensated ferrimagnets are a unique solution to this dilemma since they have zero net moment, but their nonsymmetric density of states allows the achievement of high spin polarization. Density-functional theory predicts Mn3Al in the D 03 structure to be fully compensated and retain half-metallicity at room temperature. In this work, 50-nm Mn3Al thin films are synthesized using molecular beam epitaxy and annealed at various temperatures in order to investigate their magnetic properties. Magnetometry measurements confirm the high Curie temperature of 605 K. Polarized-neutron reflectometry (PNR) indicates a low net magnetic moment, along with depth profiles of the structure and magnetization. From the PNR data, a saturation moment of 0.11 ±0.04 μB/f .u . is extracted, confirming the nominal zero moment present in these thin films.

Evidence of mixed valence states in U M2Al 3 ( M = Ni, Pd) studied by X-ray photoemission spectroscopy

NASA Astrophysics Data System (ADS)

Fujimori, Shin-ichi; Saito, Yasuharu; Sato, Noriaki; Komatsubara, Takemi; Suzuki, Shoji; Sato, Shigeru; Ishii, Takehiko

1998-01-01

We have measured the XPS valence band and core-level spectra of U M2Al 3 ( M = Ni and Pd). The results are compared with those of reference materials, dilute alloy U 0.1La 0.9Pd 2Al 3 and itinerant 5 f compound URh 3. The similarity of the core-level spectra between UPd 2Al 3 and U 0.1La 0.9Pd 2Al 3 suggests that their core-level spectra are governed by the interaction between U 5 f and ligand states of neighboring palladium and aluminum sites, with negligible contributions from neighboring uranium states. A complex satellite structure, observed in the core-level spectra of U M2Al 3, suggests that the uranium atoms are in the strong mixed valence states with 5 f2(U 4+) and 5 f3(U 3+).

Speckle in the diffraction patterns of Hendricks-Teller and icosahedral glass models

NASA Technical Reports Server (NTRS)

Garg, Anupam; Levine, Dov

1988-01-01

It is shown that the X-ray diffraction patterns from the Hendricks-Teller model for layered systems and the icosahedral glass models for the icosahedral phases show large fluctuations between nearby scattering wave vectors and from sample to sample, that are quite analogous to laser speckle. The statistics of these fluctuations are studied analytically for the first model and via computer simulations for the second. The observability of these effects is discussed briefly.

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

The Connection Between Local Icosahedral Order in Metallic Liquids and the Nucleation Behavior of Ordered Phases

NASA Technical Reports Server (NTRS)

Kelton, K. F.; Gangopadhyay, A. K.; Lee, G. W.; Hyers, R. W.; Rathz, T. J.; Rogers, J. R.; Robinson, M. B.; Schenk, T.; Simonet, V.

2003-01-01

Over fifty years ago, David Turnbull showed that the temperature of many metallic liquids could be decreased far below their equilibrium melting temperature before crystallization occurred. To explain those surprising results, Charles Frank hypothesized that the local structures of undercooled metallic liquids are different from those of crystal phases, containing a significant degree of icosahedral order that is incompatible with extended periodicity. Such structural differences must create a barrier to the formation crystal phases, explaining the observed undercooling behavior. If true, the nucleation from the liquid of phases with extended icosahedral order should be easier. Icosahedral order is often favored in small clusters, as observed recently in liquid-like clusters of pure Pb on the (111) surface of Si[3], for example. However, it has never been shown that an increasing preference for icosahedral phase formation can be directly linked with the development of icosahedral order in the undercooled liquid. Owing to the combination of very recent advances in levitation techniques and the availability of synchrotron x-ray and high flux neutron facilities, this is shown here.

Optical properties of white organic light-emitting devices fabricated utilizing a mixed CaAl12O19:Mn4+ and Y3Al5O12:Ce3+ color conversion layer.

PubMed

Jeong, H S; Kim, S H; Lee, K S; Jeong, J M; Yoo, T W; Kwon, M S; Yoo, K H; Kim, T W

2013-06-01

White organic light-emitting devices (OLEDs) were fabricated by combining a blue OLED with a color conversion layer made of mixed Y3Al5O12:Ce3+ green and Ca2AlO19:Mn4+ red phosphors. The X-ray diffraction patterns showed that Ce3+ ions in the Y3Al5O12:Ce3+ phosphors completely substituted for the Y3+ ions and the Mn4+ ions in the CaAl12O19:Mn4+ phosphors completely substituted for the Ca2+ ions. Electroluminescence spectra at 11 V for the OLEDs fabricated utilizing a color conversion layer showed that the Commission Internationale de l'Eclairage coordinates for the Y3Al5O12:Ce3+ and CaAl12O19:Mn4+ phosphors mixed at the ratio of 1:5 and 1:10 were (0.31, 0.34) and (0.32, 0.37), respectively, indicative of a good white color.

Magnetism-Structure Correlations during the epsilon ->tau Transformation in Rapidly-Solidified MnAl Nanostructured Alloys

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

Jimenez-Villacorta, F; Marion, JL; Oldham, JT

2014-01-21

Magnetic and structural aspects of the annealing-induced transformation of rapidly-solidified Mn55Al45 ribbons from the as-quenched metastable antiferromagnetic (AF) epsilon-phase to the target ferromagnetic (FM) L1(0) tau-phase are investigated. The as-solidified material exhibits a majority hexagonal epsilon-MnAl phase revealing a large exchange bias shift below a magnetic blocking temperature T-B similar to 95 K (H-ex similar to 13 kOe at 10 K), ascribed to the presence of compositional fluctuations in this antiferromagnetic phase. Heat treatment at a relatively low annealing temperature T-anneal approximate to 568 K (295 degrees C) promotes the nucleation of the metastable L1(0) tau-MnAl phase at the expensemore » of the parent epsilon-phase, donating an increasingly hard ferromagnetic character. The onset of the epsilon ->tau transformation occurs at a temperature that is similar to 100 K lower than that reported in the literature, highlighting the benefits of applying rapid solidification for synthesis of the rapidly-solidified parent alloy.« less

Viscosity of the liquid Al-6Mg-1Mn-0.2Sc-0.1Zr alloy

NASA Astrophysics Data System (ADS)

Reznik, P. L.; Chikova, O. A.; Tsepelev, V. S.

2017-07-01

The microstructure and the phase composition of as-cast Al-Mg-Mn-Sc-Zr alloy samples are studied by electron microscopy and electron-probe microanalysis. The processes of solidification and melting of this alloy are described. The temperature dependence of the kinematic viscosity of the Al-Mg-Mn-Sc-Zr melts is studied during heating and subsequent cooling of the samples. The measurement results are used to determine the temperature at which inherited microheterogeneities in the melts are destroyed irreversibly.

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.

Physical properties of the Ce 2 M Al 7 Ge 4 heavy-fermion compounds ( M = Co , Ir , Ni , Pd )

DOE PAGES

Ghimire, N. J.; Cary, S. K.; Eley, S.; ...

2016-05-23

Here, we report the synthesis, crystal structure, and characterization by means of single-crystal x-ray diffraction, neutron powder diffraction, and magnetic, thermal, and transport measurements of the new heavy-fermion compounds Ce 2MAl 7Ge 4 (M=Co,Ir,Ni,Pd). These compounds crystallize in a noncentrosymmetric tetragonal space group Pmore » $$\\bar{4}$$2 1m, consisting of layers of square nets of Ce atoms separated by Ge-Al and M-Al-Ge blocks. Ce 2CoAl 7Ge 4,Ce 2IrAl 7Ge 4, and Ce 2NiAl 7Ge 4 order magnetically below TM=1.8, 1.6, and 0.8 K, respectively. There is no evidence of magnetic ordering in Ce 2PdAl 7Ge 4 down to 0.4 K. Furthermore, the small amount of entropy released in the magnetic state of Ce 2MAl 7Ge 4 (M = Co, Ir, Ni) and the reduced specific heat jump at T M suggest a strong Kondo interaction in these materials. Ce 2PdAl 7Ge 4 shows non-Fermi liquid behavior, possibly due to the presence of a nearby quantum critical point.« less

Magnetic and thermodynamic properties of Heusler alloys Ni55Mn26Al19

NASA Astrophysics Data System (ADS)

Ito, Masakazu; Onda, Keijiro; Taira, Atsushi; Sonoda, Kazuki; Hiroi, Masahiko; Uwatoko, Yoshiya

2018-05-01

The temperature dependence of magnetization, M(T), specific heat, Cp(T), and thermal expansion, ΔL/L300K(T) were investigated for the Heusler compound Ni55Mn26Al19 with B2 structure. M(T) has a cusp-type anomaly for the antiferromagnetic (AF) transition at the Néel temperature TN = 280 K that is irreversible between the field-cooled and zero-field-cooled processes below Tf ˜ 60 K, which is characteristic of spin glass. Cp(T) also has an anomaly at TN = 280 K. For temperatures T < 280 K, Cp(T) shows no anomaly without indicating any phase transition. These results mean that with decreasing T Ni55Mn26Al19 has a reentrant spin glass below Tf from the AF state. ΔL/L300K(T) shows no discontinuity indicating a structural transition in the range 5 < T < 300 K, i.e., Ni55Mn26Al19 has no martensitic transformation. TN increases proportionally with pressure, P, because of the enhancement of the AF interaction. The value of its initial rate is estimated to be d/TN d P = 5.25 K/GPa. Tf also increases proportionally with P with d/Tf d P = 2.21 K/GPa, and hence magnetic frustration, which promotes the spin glass system, is enhanced under pressurization.

Long range ferromagnetism in (Zn, Mn, Li)Se with competition between double exchange and p-d exchange

NASA Astrophysics Data System (ADS)

Zhu, Y.; Liu, T.; Zhang, X. Y.; Pan, Y. F.; Wei, X. Y.; Ma, C. L.; Shi, D. N.; Fan, J. Y.

2017-04-01

In this paper, we elucidate the mechanism for Li co-dopant induced enhancement of the ferromagnetism in 2 × 2 × 2 and 3 × 3 × 3 cubic (Zn, Mn)Se using density functional calculations. The doping atoms tend to congregate together according to the ferromagnetic (FM) energy. All configurations are strongly FM ones due to double exchange (DE) and p-d exchange (PE). DE and PE are shown in the partial density of states. The hole is uniformly distributed in the cubic (Zn, Mn, Li)Se, and it is the one and only parameter to decide the exchange energy, when impurity atoms stay further away from each other. The average exchange energy of these configurations is considered to be a function of the square root of the hole concentration. The fitting data to a polynomial function shows that DE and PE have roles of similar importance in the exchange energy.

A study of Pd/SO4/ZrO2/Al2O3 catalysts in n-hexane isomerization

NASA Astrophysics Data System (ADS)

Dzhikiya, O. V.; Smolikov, M. D.; Kazantsev, K. V.; Yablokova, S. S.; Kireeva, T. V.; Paukshtis, E. A.; Gulyaeva, T. I.; Belyi, A. S.

2017-08-01

The effect of palladium concentration in a range from 0.02 to 1.6 wt.% on characteristics of n-hexane isomerization was studied. The (O2-Hchem) titration and O2 chemisorption study revealed that palladium in Pd/SO4/ZrO2/Al2O3 systems adsorbs hydrogen in a ratio H/Pds = 1.13-1.65 at./at. Investigation of the charge state of the metal by IR spectroscopy of adsorbed CO showed the presence of both the metallic (Pd0) and charged palladium species. Pd/SO4/ZrO2/Al2O3 catalysts with charged palladium atoms exhibit high activity and selectivity in n-hexane isomerization.

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

PubMed

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

2009-01-28

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

Real-space observation of magnetic excitations and avalanche behavior in artificial quasicrystal lattices

DOE PAGES

Brajuskovic, V.; Barrows, F.; Phatak, C.; ...

2016-10-03

Artificial spin ice lattices have emerged as model systems for studying magnetic frustration in recent years. Most work to date has looked at periodic artificial spin ice lattices. In this paper, we observe frustration effects in quasicrystal artificial spin ice lattices that lack translational symmetry and contain vertices with different numbers of interacting elements. We find that as the lattice state changes following demagnetizing and annealing, specific vertex motifs retain low-energy configurations, which excites other motifs into higher energy configurations. In addition, we find that unlike the magnetization reversal process for periodic artificial spin ice lattices, which occurs through 1Dmore » avalanches, quasicrystal lattices undergo reversal through a dendritic 2D avalanche mechanism.« less

Real-space observation of magnetic excitations and avalanche behavior in artificial quasicrystal lattices

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

Brajuskovic, V.; Barrows, F.; Phatak, C.

Artificial spin ice lattices have emerged as model systems for studying magnetic frustration in recent years. Most work to date has looked at periodic artificial spin ice lattices. In this paper, we observe frustration effects in quasicrystal artificial spin ice lattices that lack translational symmetry and contain vertices with different numbers of interacting elements. We find that as the lattice state changes following demagnetizing and annealing, specific vertex motifs retain low-energy configurations, which excites other motifs into higher energy configurations. In addition, we find that unlike the magnetization reversal process for periodic artificial spin ice lattices, which occurs through 1Dmore » avalanches, quasicrystal lattices undergo reversal through a dendritic 2D avalanche mechanism.« less

Laboratory study on the adsorption of Mn(2+) on suspended and deposited amorphous Al(OH)(3) in drinking water distribution systems.

PubMed

Wang, Wendong; Zhang, Xiaoni; Wang, Hongping; Wang, Xiaochang; Zhou, Lichuan; Liu, Rui; Liang, Yuting

2012-09-01

Manganese (II) is commonly present in drinking water. This paper mainly focuses on the adsorption of manganese on suspended and deposited amorphous Al(OH)(3) solids. The effects of water flow rate and water quality parameters, including solution pH and the concentrations of Mn(2+), humic acid, and co-existing cations on adsorption were investigated. It was found that chemical adsorption mainly took place in drinking water with pHs above 7.5; suspended Al(OH)(3) showed strong adsorption capacity for Mn(2+). When the total Mn(2+) input was 3 mg/L, 1.0 g solid could accumulate approximately 24.0 mg of Mn(2+) at 15 °C. In drinking water with pHs below 7.5, because of H(+) inhibition, active reaction sites on amorphous Al(OH)(3) surface were much less. The adsorption of Mn(2+) on Al(OH)(3) changed gradually from chemical coordination to physical adsorption. In drinking water with high concentrations of Ca(2+), Mg(2+), Fe(3+), and HA, the removal of Mn(2+) was enhanced due to the effects of co-precipitation and adsorption. In solution with 1.0 mg/L HA, the residual concentration of Mn(2+) was below 0.005 mg/L, much lower than the limit value required by the Chinese Standard for Drinking Water Quality. Unlike suspended Al(OH)(3), deposited Al(OH)(3) had a much lower adsorption capacity of 0.85 mg/g, and the variation in flow rate and major water quality parameters had little effect on it. Improved managements of water age, pipe flushing and mechanical cleaning were suggested to control residual Mn(2+). Copyright © 2012 Elsevier Ltd. All rights reserved.

Method of making an icosahedral boride structure

DOEpatents

Hersee, Stephen D.; Wang, Ronghua; Zubia, David; Aselage, Terrance L.; Emin, David

2005-01-11

A method for fabricating thin films of an icosahedral boride on a silicon carbide (SiC) substrate is provided. Preferably the icosahedral boride layer is comprised of either boron phosphide (B.sub.12 P.sub.2) or boron arsenide (B.sub.12 As.sub.2). The provided method achieves improved film crystallinity and lowered impurity concentrations. In one aspect, an epitaxially grown layer of B.sub.12 P.sub.2 with a base layer or substrate of SiC is provided. In another aspect, an epitaxially grown layer of B.sub.12 As.sub.2 with a base layer or substrate of SiC is provided. In yet another aspect, thin films of B.sub.12 P.sub.2 or B.sub.12 As.sub.2 are formed on SiC using CVD or other vapor deposition means. If CVD techniques are employed, preferably the deposition temperature is above 1050.degree. C., more preferably in the range of 1100.degree. C. to 1400.degree. C., and still more preferably approximately 1150.degree. C.

Influence of shell thickness on thermal stability of bimetallic Al-Pd nanoparticles

NASA Astrophysics Data System (ADS)

Wen, John Z.; Nguyen, Ngoc Ha; Rawlins, John; Petre, Catalin F.; Ringuette, Sophie

2014-07-01

Aluminum-based bimetallic core-shell nanoparticles have shown promising applications in civil and defense industries. This study addresses the thermal stability of aluminum-palladium (Al-Pd) core/shell nanoparticles with a varying shell thickness of 5, 6, and 7 Å, respectively. The classic molecular dynamics (MD) simulations are performed in order to investigate the effects of the shell thickness on the ignition mechanism and subsequent energetic processes of these nanoparticles. The histograms of temperature change and structural evolution clearly show the inhibition role of the Pd shell during ignition. While the nanoparticle with a thicker shell is more thermally stable and hence requires more excess energy, stored as the potential energy of the nanoparticle and provided through numerically heating, to initiate the thermite reaction, a higher adiabatic temperature can be produced from this nanoparticle, thanks to its greater content of Pd. The two-stage thermite reactions are discussed with their activation energy based on the energy balance processes during MD heating and production. Analyses of the simulation results reveal that the inner pressure of the core-shell nanoparticle increases with both temperature and the absorbed thermal energy during heating, which may result in a breakup of the Pd shell.

Localized magnetism in liquid Al80Mn20 alloys: A first-principles investigation

NASA Astrophysics Data System (ADS)

Jakse, N.; LeBacq, O.; Pasturel, A.

2006-04-01

We present first-principles investigations of the formation of magnetic moments in liquid Al80Mn20 alloys as a function of temperature. We predict the existence of large magnetic moments on Mn atoms which are close to that of the single-impurity limit. The wide distribution of moments can be understood in terms of fluctuations in the local environment. Our calculations also predict that thermal expansion effects within the single-impurity model mainly explain the striking increase of magnetism with temperature.

Fibonacci, quasicrystals and the beauty of flowers.

PubMed

Gardiner, John

2012-12-01

The appearance of Fibonacci sequences and the golden ratio in plant structures is one of the great outstanding puzzles of biology. Here I suggest that quasicrystals, which naturally pack in the golden ratio, may be ubiquitous in biological systems and introduce the golden ratio into plant phyllotaxy. The appearance of golden ratio-based structures as beautiful indicates that the golden ratio may play a role in the development of consciousness and lead to the aesthetic natural selection of flowering plants.

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

PubMed

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

2008-06-01

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

Synthesis and effect of Ce and Mn co-doping on photoluminescence characteristics of Ca6AlP5O20:Eu novel phosphors.

PubMed

Shinde, K N; Dhoble, S J

2013-01-01

A series of Ca6AlP5O20 doped with rare earths (Eu and Ce) and co-doped (Eu, Ce and Eu,Mn) were prepared by combustion synthesis. Under Hg-free excitation, Ca6AlP5O20:Eu exhibited Eu(2+) (486 nm) emission in the blue region of the spectrum and under near Hg excitation (245 nm), Ca6AlP5O20:Ce phosphor exhibited Ce(3+) emission (357 nm) in the UV range. Photoluminescence (PL) peak intensity increased in Ca6AlP5O20:Eu,Ce and Ca6AlP5O20:Eu, Mn phosphors due to co-activators of Ce(3+) and Mn(2+) ions. As a result, these ions played an important role in PL emission in the present matrix. Ca6AlP5O20:Eu, Ce and Ca6AlP5O20:Eu, Mn phosphors provided energy transfer mechanisms via Ce(3+) → Eu(2+) and Eu(2+) → Mn(2+), respectively. Eu ions acted as activators and Ce ions acted as sensitizers. Ce emission energy was well matched with Eu excitation energy in the case of Ca6AlP5O20:Eu, Ce and Eu ions acted as activators and Mn ions acted as sensitizers in Ca6AlP5O20:Eu, Mn. This study included synthesis of new and efficient phosphate phosphors. The impact of doping and co-doping on photoluminescence properties and energy transfer mechanisms were investigated and we propose a feasible interpretation. Copyright © 2012 John Wiley & Sons, Ltd.

Breaking Symmetry in Viral Icosahedral Capsids as Seen through the Lenses of X-ray Crystallography and Cryo-Electron Microscopy

PubMed Central

Parent, Kristin N.; Schrad, Jason R.; Cingolani, Gino

2018-01-01

The majority of viruses on Earth form capsids built by multiple copies of one or more types of a coat protein arranged with 532 symmetry, generating an icosahedral shell. This highly repetitive structure is ideal to closely pack identical protein subunits and to enclose the nucleic acid genomes. However, the icosahedral capsid is not merely a passive cage but undergoes dynamic events to promote packaging, maturation and the transfer of the viral genome into the host. These essential processes are often mediated by proteinaceous complexes that interrupt the shell’s icosahedral symmetry, providing a gateway through the capsid. In this review, we take an inventory of molecular structures observed either internally, or at the 5-fold vertices of icosahedral DNA viruses that infect bacteria, archea and eukaryotes. Taking advantage of the recent revolution in cryo-electron microscopy (cryo-EM) and building upon a wealth of crystallographic structures of individual components, we review the design principles of non-icosahedral structural components that interrupt icosahedral symmetry and discuss how these macromolecules play vital roles in genome packaging, ejection and host receptor-binding. PMID:29414851

May quasicrystals be good thermoelectric materials?

NASA Astrophysics Data System (ADS)

Maciá, Enrique

2000-11-01

We present a theoretical analysis of quasicrystals (QCs) as potential thermoelectric materials. We consider a self-similar density of states model and extend the framework introduced in [G. D. Mahan and J. O. Sofo, Proc. Natl. Acad. Sci. U.S.A. 93, 7436 (1996)] to systems exhibiting correlated features in their electronic structure. We show that relatively high values of the thermoelectric figure of merit, ranging from 0.01 up to 1.6 at room temperature, may be expected for these systems. We compare our results with available experimental data on transport properties of QCs and suggest some potential candidates for thermoelectric applications.

Formation of the Fe-Containing Intermetallic Compounds during Solidification of Al-5Mg-2Si-0.7Mn-1.1Fe Alloy

NASA Astrophysics Data System (ADS)

Que, Zhongping; Wang, Yun; Fan, Zhongyun

2018-06-01

Iron (Fe) is the most common and the most detrimental impurity element in Al alloys due to the formation of Fe-containing intermetallic compounds (IMCs), which are harmful to mechanical performance of the Al-alloy components. In this paper we investigate the formation of Fe-containing IMCs during solidification of an Al-5Mg-2Si-0.7Mn-1.1Fe alloy under varied solidification conditions. We found that the primary Fe-containing intermetallic compound (P-IMC) in the alloy is the BCC α-Al15(Fe,Mn)3Si2 phase and has a polyhedral morphology with {1 1 0} surface termination. The formation of the P-IMCs can be easily suppressed by increasing the melt superheat and/or cooling rate, suggesting that the nucleation of the α-Al15(Fe,Mn)3Si2 phase is difficult. In addition, we found that the IMCs with a Chinese script morphology is initiated on the {1 0 0} surfaces of the P-IMCs during the binary eutectic reaction with the α-Al phase. Both the binary and ternary eutectic IMCs are also identified as the BCC α-Al15(Fe,Mn)3Si2 phase. Furthermore, we found that the Fe content increases and the Mn content decreases in the Fe-containing intermetallic compounds with the decrease of the formation temperature, although the sum of the Fe and Mn contents in all of the IMCs is constant.

Ab initio study of Fe{sub 2}MnZ (Al, Si, Ge) Heusler alloy using GGA approximation

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

Jain, Vivek Kumar, E-mail: vivek.jain129@gmail.com; Jain, Vishal, E-mail: vivek.jain129@gmail.com; Lakshmi, N., E-mail: vivek.jain129@gmail.com

Density functional theory based on FP-LAPW method used to investigate the electronic structure of Fe{sub 2}MnZ, shows that the total spin magnetic moment shows a trend consistent with the Slater–Pauling curve. The Fe and Mn magnetic moment depend on choice of Z element although the magnetic moment of Z element is negative and less than 0.1 μ{sub B}. Spin polarization calculations evidence 100% spin polarization for Fe{sub 2}MnSi. Fe{sub 2}MnAl and Fe{sub 2}MnGe show metallic behavior with 93%, 98% spin polarization.

Superconductivity in LaPd2Al2-xGax compounds

NASA Astrophysics Data System (ADS)

Klicpera, M.; Pásztorová, J.; Javorský, P.

2014-08-01

The superconductivity in LaPd2Al2-xGax compounds was studied by means of electrical resistivity and specific heat measurements. The concentration development of the superconducting properties was revealed. The measured data deviate significantly from the Bardeen-Cooper-Schrieffer theory predictions and are discussed in the context of unconventional superconductivity. The electronic specific heat below {{T}_{SC}} follows almost quadratic temperature dependence, which might indicate an axial state with line nodes in the superconducting gap structure.

Electronic structure and x-ray spectroscopy of Cu2MnAl1-xGax

NASA Astrophysics Data System (ADS)

Rai, D. P.; Ekuma, C. E.; Boochani, A.; Solaymani, S.; Thapa, R. K.

2018-04-01

We explore the electronic and related properties of Cu2MnAl1-xGax with a first-principles, relativistic multiscattering Green function approach. We discuss our results in relation to existing experimental data and show that the electron-core hole interaction is essential for the description of the optical spectra especially in describing the X-ray absorption and magnetic circular dichroism spectra at the L2,3 edges of Cu and Mn.

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

NASA Astrophysics Data System (ADS)

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

1995-08-01

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

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

CeLa enhanced corrosion resistance of Al-Cu-Mn-Mg-Fe alloy for lithium battery shell

NASA Astrophysics Data System (ADS)

Du, Jiandi; Ding, Dongyan; Zhang, Wenlong; Xu, Zhou; Gao, Yongjin; Chen, Guozhen; Chen, Weigao; You, Xiaohua; Chen, Renzong; Huang, Yuanwei; Tang, Jinsong

2017-11-01

Effects of CeLa addition on the localized corrosion and electrochemical corrosion behavior of Al-Cu-Mn-Mg-Fe lithium battery shell alloy were investigated by immersion testing and electrochemical testing in 0.6 M NaCl solution at different temperatures. Experimental results indicated that CeLa addition resulted in the formation of AlCuCe/La (Al8Cu4Ce and Al6Cu6La) local cathodes and corrosion activity of the main intermetallic particles decreased in the order of Al2CuMg, AlCuCe/La, Al6(Mn, Fe). Corrosion potential shifted positively due to CeLa alloying. Corrosion current density of the CeLa-containing alloy was lower than that of the CeLa-free alloy at room temperature. At room temperature, there was no obvious surface passivation for both alloys. At 80 °C CeLa addition resulted in a wide passive region at the anode polarization region. Electrochemical impedance spectroscopy (EIS) analysis also indicated that corrosion resistance of the CeLa-containing alloy was much higher than that of the CeLa-free alloy.

Interdiffusion between the L1(2) trialuminides Al66Ti25Mn9 and Al67Ti25Cr8

NASA Technical Reports Server (NTRS)

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

1992-01-01

Concentration-distance profiles obtained from Al66Ti25Mn9/Al67Ti25Cr8 diffusion couples are used to determine the interdiffusion coeffients in the temperature range 1373-1073 K. The couples are treated as pseudobinaries, and the diffusion coefficients are determined using the Matano approach. The results are then used to compute the activation energies for diffusion, and a comparison is made with some existing data for the activation energy for creep of Al22Ti8Fe3.

Microstructural Developments and Tensile Properties of Lean Fe-Mn-Al-C Lightweight Steels

NASA Astrophysics Data System (ADS)

Sohn, S. S.; Lee, S.; Lee, B.-J.; Kwak, J.-H.

2014-09-01

Concepts of Fe-Al-Mn-C-based lightweight steels are fairly simple, but primary metallurgical issues are complicated. In this study, recent studies on lean-composition lightweight steels were reviewed, summarized, and emphasized by their microstructural development and mechanical properties. The lightweight steels containing a low-density element of Al were designed by thermodynamic calculation and were manufactured by conventional industrial processes. Their microstructures consisted of various secondary phases as κ-carbide, martensite, and austenite in the ferrite matrix according to manufacturing and annealing procedures. The solidification microstructure containing segregations of C, Mn, and Al produced a banded structure during the hot rolling. The (ferrite + austenite) duplex microstructure was formed after the annealing, and the austenite was retained at room temperature. It was because the thermal stability of austenite nucleated from fine κ-carbide was quite high due to fine grain size of austenite. Because these lightweight steels have outstanding properties of strength and ductility as well as reduced density, they give a promise for automotive applications requiring excellent properties.

Numerical Study of Microstructural Evolution During Homogenization of Al-Si-Mg-Fe-Mn Alloys

NASA Astrophysics Data System (ADS)

Priya, Pikee; Johnson, David R.; Krane, Matthew J. M.

2016-09-01

Microstructural evolution during homogenization of Al-Si-Mg-Fe-Mn alloys occurs in two stages at different length scales: while holding at the homogenization temperature (diffusion on the scale of the secondary dendrite arm spacing (SDAS) in micrometers) and during quenching to room temperature (dispersoid precipitation at the nanometer to submicron scale). Here a numerical study estimates microstructural changes during both stages. A diffusion-based model developed to simulate evolution at the SDAS length scale predicts homogenization times and microstructures matching experiments. That model is coupled with a Kampmann Wagner Neumann-based precipitate nucleation and growth model to study the effect of temperature, composition, as-cast microstructure, and cooling rates during posthomogenization quenching on microstructural evolution. A homogenization schedule of 853 K (580 °C) for 8 hours, followed by cooling at 250 K/h, is suggested to optimize microstructures for easier extrusion, consisting of minimal α-Al(FeMn)Si, no β-AlFeSi, and Mg2Si dispersoids <1 μm size.

Magnetic and structural properties of Mn1-xCrxAlGe (0 ≤ x ≤ 1.0)

NASA Astrophysics Data System (ADS)

Masumitsu, Hayato; Yoshinaga, Soshi; Mitsui, Yoshifuru; Umetsu, Rie Y.; Hiroi, Masahiko; Uwatoko, Yoshiya; Koyama, Keiichi

2018-06-01

The magnetic and structural properties of Mn1-xCrxAlGe (0 ≤ x ≤ 1.0) compounds were investigated. The spontaneous magnetization Ms and Curie temperature TC of Mn1-xCrxAlGe has a cusp at x = 0.2. The maximum values of Ms and TC are 1.74 μB/f.u. and 601 K, respectively. It was found that the tetragonal Cu2Sb-type structure was stable for 0 ≤ x ≤ 0.75, whereas orthorhombic TiSi2-type structure was observed for x ≥ 0.8. The reciprocal susceptibility as a function of temperature suggested that the magnetic moment of Cr is antiferromagnetically coupled with that of Mn in Cu2Sb-type structure.

Metal-organic framework materials based on icosahedral boranes and carboranes

DOEpatents

Mirkin, Chad A.; Hupp, Joseph T.; Farha, Omar K.; Spokoyny, Alexander M.; Mulfort, Karen L.

2010-11-02

Disclosed herein are metal-organic frameworks of metals and boron rich ligands, such as carboranes and icosahedral boranes. Methods of synthesizing and using these materials in gas uptake are disclosed.

Icosahedral (A5) family symmetry and the golden ratio prediction for solar neutrino mixing

NASA Astrophysics Data System (ADS)

Everett, Lisa L.; Stuart, Alexander J.

2009-04-01

We investigate the possibility of using icosahedral symmetry as a family symmetry group in the lepton sector. The rotational icosahedral group, which is isomorphic to A5, the alternating group of five elements, provides a natural context in which to explore (among other possibilities) the intriguing hypothesis that the solar neutrino mixing angle is governed by the golden ratio, ϕ=(1+5)/2. We present a basic toolbox for model building using icosahedral symmetry, including explicit representation matrices and tensor product rules. As a simple application, we construct a minimal model at tree level in which the solar angle is related to the golden ratio, the atmospheric angle is maximal, and the reactor angle vanishes to leading order. The approach provides a rich setting in which to investigate the flavor puzzle of the standard model.

Synthesis of Spherical Al-Doping LiMn2O4 via a High-Pressure Spray-Drying Method as Cathode Materials for Lithium-Ion Batteries

NASA Astrophysics Data System (ADS)

Zhang, Yannan; Zhang, Yingjie; Zhang, Mingyu; Xu, Mingli; Li, Xue; Yu, Xiaohua; Dong, Peng

2018-05-01

Uniform and spherical LiAl0.075Mn1.925O4 particles have been successfully synthesized by the high-pressure spray-drying method. The structures and electrochemical properties of the particles were characterized by various techniques. Benefiting from the sphere-like morphology and Al-doping, LiAl0.075Mn1.925O4 delivers a capacity retention of 81.6% after 1000 cycles at 2°C, while LiMn2O4 exhibits a capacity retention of only 32.2%. The rate capability and reversible cycling performance are also improved. Furthermore, this work significantly alleviates the dissolution of Mn in LiMn2O4 materials, and effectively improves the transfer rate of lithium ions at the electrode/electrolyte interface. The spherical LiAl0.075Mn1.925O4 prepared by a facile method shows great potential for practical application in low-cost and long-life lithium-ion batteries.

Tetragonal-antiprismatic coordination of transition metals in intermetallic compounds: ω1-Mn6Ga29 and its structuralrelationships

NASA Astrophysics Data System (ADS)

Antonyshyn, Iryna; Prots, Yurii; Margiolaki, Irene; Schmidt, Marcus Peter; Zhak, Olga; Oryshchyn, Stepan; Grin, Yuri

2013-03-01

The new phase ω1-Mn6Ga29 was synthesised in single-crystal form from the elements applying the high-temperature centrifugation-aided filtration technique. The crystal structure was determined using diffraction data collected from a twinned specimen: a new prototype, space group P1¯; a=6.3114(2) Å, b=9.9557(3) Å, c=18.920(1) Å, α=90.473(1)°, β=90.847(1)°, γ=90.396(1)°; R1=0.047, wR2=0.117 for 317 variable parameters and 7346 observed reflections; twinning matrix 0 0 -1/3, 0 -1 0, -3 0 0; twin domains ratio 0.830(3):0.170. All manganese atoms in the crystal structure of ω1-Mn6Ga29 are coordinated exclusively by Ga forming distorted tetragonal antiprisms. The monocapped [MnGa8+1] antiprisms condense into pairs by sharing their pseudo-quadratic faces and are interconnected via common apexes and edges to form a 3D framework. The relationship between the crystal structures of ω1-Mn6Ga29 and CuAl2, α-, β-CoSn3, PtSn4, Ti4MnBi2, PdGa5, Rh3Ga16, Rh4Ga21, Al7FeCu2, Co2Al9, and RhBi4 is discussed.

Characterization and release profile of (Mn, Al)-bearing deposits in drinking water distribution systems.

PubMed

Li, Guiwei; Ding, Yuanxun; Xu, Hongfu; Jin, Junwei; Shi, Baoyou

2018-04-01

Inorganic contaminants accumulation in drinking water distribution systems (DWDS) is a great threat to water quality and safety. This work assessed the main risk factors for different water pipes and discovered the release profile of accumulated materials in a full scale distribution system frequently suffered from water discoloration problem. Physicochemical characterization of pipe deposits were performed using X-ray fluorescence, scanning electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy. The metal release profile was obtained through continuous monitoring of a full-scale DWDS area. The results showed that aluminum and manganese were the main metals of deposits in nonmetallic pipes, while iron was dominant in iron-based pipe corrosion scales. Manganese primarily existed as MnO 2 without well crystalline form. The relative abundance of Mn and Fe in deposits changed with their distance from the water treatment plant. Compared with iron in corrosion scales, Mn and Al were more labile to be released back into bulk water during unidirectional flushing process. A main finding of this work is the co-release behavior of Mn and Al in particulate form and significant correlation exists between these two metals. Dual control of manganese and aluminum in treated water is proposed to be essential to cope with discoloration and trace metal contamination in DWDS. Copyright © 2018 Elsevier Ltd. All rights reserved.

Mechanical Properties and Microstructure of TIG and FSW Joints of a New Al-Mg-Mn-Sc-Zr Alloy

NASA Astrophysics Data System (ADS)

Xu, Guofu; Qian, Jian; Xiao, Dan; Deng, Ying; Lu, Liying; Yin, Zhimin

2016-04-01

A new Al-5.8%Mg-0.4%Mn-0.25%Sc-0.10%Zr (wt.%) alloy was successfully welded by tungsten inert gas (TIG) and friction stir welding (FSW) techniques, respectively. The mechanical properties and microstructure of the welded joints were investigated by microhardness measurements, tensile tests, and microscopy methods. The results show that the ultimate tensile strength, yield strength, and elongation to failure are 358, 234 MPa, and 27.6% for TIG welded joint, and 376, 245 MPa and 31.9% for FSW joint, respectively, showing high strength and superior ductility. The TIG welded joint fails in the heat-affected zone and the fracture of FSW joint is located in stirred zone. Al-Mg-Mn-Sc-Zr alloy is characterized by lots of dislocation tangles and secondary coherent Al3(Sc,Zr) particles. The superior mechanical properties of the TIG and FSW joints are mainly derived from the Orowan strengthening and grain boundary strengthening caused by secondary coherent Al3(Sc,Zr) nano-particles (20-40 nm). For new Al-Mg-Mn-Sc-Zr alloy, the positive effect from secondary Al3(Sc, Zr) particles in the base metal can be better preserved in FSW joint than in TIG welded joint.

Microstructures evolution and physical properties of laser induced NbC modified nanocrystalline composites

NASA Astrophysics Data System (ADS)

Li, Jianing; Liu, Kegao; Yuan, Xingdong; Shan, Feihu; Zhang, Bolun; Wang, Zhe; Xu, Wenzhuo; Zhang, Zheng; An, Xiangchen

2017-10-01

The nanoscale quasicrystals (NQs), amorphous and ultrafine nanocrystals (UNs) modified hard composites are produced by laser cladding (LC) of the Ni60A-TiC-NbC-Sb mixed powders on the additive manufacturing (AM) TA1 titanium alloy. The LC technique is favorable to formations of icosahedral quasicrystals (I-phase) with five-fold symmetry due to its rapid cooling and solidification characteristics. The formation mechanism of this I-phase is explained here. Under the actions of NQs, amorphous and UNs, such LC composites exhibited an extremely high micro-hardness. UNs may also intertwin with amorphous, forming yarn-shape materials. This research provides essential theoretical basis to improve the quality of laser-treated composites.

Interface-Enhanced Spin-Orbit Torques and Current-Induced Magnetization Switching of Pd /Co /AlOx Layers

NASA Astrophysics Data System (ADS)

Ghosh, Abhijit; Garello, Kevin; Avci, Can Onur; Gabureac, Mihai; Gambardella, Pietro

2017-01-01

Magnetic heterostructures that combine large spin-orbit torque efficiency, perpendicular magnetic anisotropy, and low resistivity are key to developing electrically controlled memory and logic devices. Here, we report on vector measurements of the current-induced spin-orbit torques and magnetization switching in perpendicularly magnetized Pd /Co /AlOx layers as a function of Pd thickness. We find sizable dampinglike (DL) and fieldlike (FL) torques, on the order of 1 mT per 107 A /cm2 , which have different thicknesses and magnetization angle dependencies. The analysis of the DL torque efficiency per unit current density and the electric field using drift-diffusion theory leads to an effective spin Hall angle and spin-diffusion length of Pd larger than 0.03 and 7 nm, respectively. The FL spin-orbit torque includes a significant interface contribution, is larger than estimated using drift-diffusion parameters, and, furthermore, is strongly enhanced upon rotation of the magnetization from the out-of-plane to the in-plane direction. Finally, taking advantage of the large spin-orbit torques in this system, we demonstrate bipolar magnetization switching of Pd /Co /AlOx layers with a similar current density to that used for Pt /Co layers with a comparable perpendicular magnetic anisotropy.

HCIV-1 and Other Tailless Icosahedral Internal Membrane-Containing Viruses of the Family Sphaerolipoviridae.

PubMed

Demina, Tatiana A; Pietilä, Maija K; Svirskaitė, Julija; Ravantti, Janne J; Atanasova, Nina S; Bamford, Dennis H; Oksanen, Hanna M

2017-02-18

Members of the virus family Sphaerolipoviridae include both archaeal viruses and bacteriophages that possess a tailless icosahedral capsid with an internal membrane. The genera Alpha- and Betasphaerolipovirus comprise viruses that infect halophilic euryarchaea, whereas viruses of thermophilic Thermus bacteria belong to the genus Gammasphaerolipovirus . Both sequence-based and structural clustering of the major capsid proteins and ATPases of sphaerolipoviruses yield three distinct clades corresponding to these three genera. Conserved virion architectural principles observed in sphaerolipoviruses suggest that these viruses belong to the PRD1-adenovirus structural lineage. Here we focus on archaeal alphasphaerolipoviruses and their related putative proviruses. The highest sequence similarities among alphasphaerolipoviruses are observed in the core structural elements of their virions: the two major capsid proteins, the major membrane protein, and a putative packaging ATPase. A recently described tailless icosahedral haloarchaeal virus, Haloarcula californiae icosahedral virus 1 (HCIV-1), has a double-stranded DNA genome and an internal membrane lining the capsid. HCIV-1 shares significant similarities with the other tailless icosahedral internal membrane-containing haloarchaeal viruses of the family Sphaerolipoviridae . The proposal to include a new virus species, Haloarcula virus HCIV1 , into the genus Alphasphaerolipovirus was submitted to the International Committee on Taxonomy of Viruses (ICTV) in 2016.

Novel yolk-shell-structured Fe3O4@γ-AlOOH nanocomposite modified with Pd nanoparticles as a recyclable catalyst with excellent catalytic activity

NASA Astrophysics Data System (ADS)

Cui, Xueliang; Zheng, Yunfeng; Tian, Meng; Dong, Zhengping

2017-09-01

A novel yolk-shell-structured material (Fe3O4@γ-AlOOH-YSMs) with hierarchical γ-AlOOH flakes as the mesoporous shell and Fe3O4 nanoparticles (NPs) in the hollow core was prepared by using Fe3O4@SiO2 NPs as the seeds as well as NaAlO2 and urea as the precursor. The prepared Fe3O4@γ-AlOOH-YSMs were used as a catalyst support for fabricating a Pd/Fe3O4@γ-AlOOH-YSMs nanocatalyst with no obvious aggregation of the Pd NPs. The Pd/Fe3O4@γ-AlOOH-YSMs nanocatalyst was utilized for the catalytic reduction of the widely used and highly toxic 4-nitrophenol, rhodamine B, methylene blue, and methyl orange; and showed excellent catalytic activity as compared with other noble-metal-based catalysts. Furthermore, the Pd/Fe3O4@γ-AlOOH-YSMs nanocatalyst also can be easily separated from the reaction mixture and reused for at least ten times without any obvious decrease in the catalytic activity, indicating its reusability and stability.

Structure and magnetic properties of Fe12X clusters

NASA Astrophysics Data System (ADS)

Gutsev, G. L.; Johnson, L. E.; Belay, K. G.; Weatherford, C. A.; Gutsev, L. G.; Ramachandran, B. R.

2014-02-01

The electronic and geometrical structures of a Fe12X family of binary clusters Fe12Al, Fe12Sc, Fe12Ti, Fe12V, Fe12Cr, Fe12Mn, Fe12Co, Fe12Ni, Fe12Cu, Fe12Zn, Fe12Y, Fe12Zr, Fe12Nb, Fe12Mo, Fe12Tc, Fe12Ru, Fe12Rh, Fe12Pd, Fe12Ag, Fe12Cd, and Fe12Gd are studied using density functional theory within generalized gradient approximation. It is found that the geometrical structures corresponding to the lowest total energy states found for the Fe12X clusters possess icosahedral shape with the substituent atom occupying the central or a surface site. The only exception presents Fe12Nb where a squeezed cage structure is the energetically most favorable. The substitution of an atom in the Fe13 cluster results in the decrease of its total spin magnetic moment of 44 μB, except for Fe12Mn and Fe12Gd. The Fe12X clusters are more stable than the parent Fe13 cluster when X = Al, Sc, Ti, V, Co, Y, Zr, Nb, Mo, Tc, Ru, and Rh.

Microstructure, Mechanical Properties, and Age-Hardening Behavior of an Al-Si-Fe-Mn-Cu-Mg Alloy Produced by Spray Deposition

NASA Astrophysics Data System (ADS)

Feng, Wang; Jishan, Zhang; Baiqing, Xiong; Yongan, Zhang

2011-02-01

It has been recognized generally that the spray-deposited process is an innovative technique of rapid solidification. In this paper, Al-20Si-5Fe-3Mn-3Cu-1Mg alloy was synthesized by the spray atomization and deposition technique. The microstructure and mechanical properties of the spray-deposited alloy were studied using x-ray diffraction, scanning electron microscopy, transmission electron microscopy (TEM), and tensile tests. It is observed that the microstructure of spray-deposited Al-20Si-5Fe-3Mn-3Cu-1Mg alloy is composed of the α-Al,Si and the particle-like Al15(FeMn)3Si2 compounds. The aging process of the alloy was investigated by microhardness measurement, differential scanning calorimetry analysis, and TEM observations. The results indicate that the two types of precipitates, S-Al2CuMg and σ-Al5Cu6Mg2 precipitate from matrix and improve the tensile strength of the alloy efficiently at both the ambient and elevated temperatures (300 °C).

Atomic Scale Investigation of Structural Properties and Glass Forming Ability of Ti100-x Al x Metallic Glasses

NASA Astrophysics Data System (ADS)

Tahiri, M.; Hasnaoui, A.; Sbiaai, K.

2018-03-01

In this work, we employed molecular dynamics (MD) simulations to study Ti-Al metallic glasses (MGs) using the embedded atom method (EAM) potential to model the atomic interaction with different compositions. The results showed evidence of the metallic glass formation induced by the split occurring in the second peak of the radial distribution function (RDF) curves implying both Ti and Al atoms. The common neighbor analysis (CNA) method confirmed the presence of the icosahedral clusters with a maximum amount observed for an alloy with 75 pct of Al. Analysis of coordination numbers (CNs) indicated that the total CNs are nearly unchanged in these systems. Finally, Voronoi tessellation analyses (VTA) showed a higher value of the number of icosahedral units at Ti25Al75 composition. This specific composition represents a nearby peritectic point localized at a low melting point in the Ti-Al binary phase diagram. The glass forming ability (GFA) becomes important when the fraction of Al increases by forming and connecting "icosahedral-like" clusters (12-coordinated <0, 0, 12, 0> and 13-coordinated <0, 1, 10, 2>) and by playing a main role in the structure stability of the Ti-Al MGs.

Atomic Scale Investigation of Structural Properties and Glass Forming Ability of Ti100- x Al x Metallic Glasses

NASA Astrophysics Data System (ADS)

Tahiri, M.; Hasnaoui, A.; Sbiaai, K.

2018-06-01

In this work, we employed molecular dynamics (MD) simulations to study Ti-Al metallic glasses (MGs) using the embedded atom method (EAM) potential to model the atomic interaction with different compositions. The results showed evidence of the metallic glass formation induced by the split occurring in the second peak of the radial distribution function (RDF) curves implying both Ti and Al atoms. The common neighbor analysis (CNA) method confirmed the presence of the icosahedral clusters with a maximum amount observed for an alloy with 75 pct of Al. Analysis of coordination numbers (CNs) indicated that the total CNs are nearly unchanged in these systems. Finally, Voronoi tessellation analyses (VTA) showed a higher value of the number of icosahedral units at Ti25Al75 composition. This specific composition represents a nearby peritectic point localized at a low melting point in the Ti-Al binary phase diagram. The glass forming ability (GFA) becomes important when the fraction of Al increases by forming and connecting "icosahedral-like" clusters (12-coordinated <0, 0, 12, 0> and 13-coordinated <0, 1, 10, 2>) and by playing a main role in the structure stability of the Ti-Al MGs.

Heterogeneity of Multimedia Exposures to Neurotoxic Elements (Al, As, Cd, Pb, Mn, and Hg) in Breastfed Infants from Porto Velho, Brazil.

PubMed

Bastos, Wanderley R; Vieira, Solange M; Manzatto, Ângelo G; Dórea, José G; Rubira, Marcelo C; de Souza, Victor Francisco P; da Costa Junior, Walkimar A; Souza Bastos, Maria T

2017-10-01

Infant exposure to neurotoxic elements is a public health issue that needs monitoring with regard to breast milk composition. We studied six neurotoxic elements in breast milk samples at different stages of lactation in mothers from Porto Velho, Brazil. We used a flow-injection mercury system (FIMS) to determine total Hg concentrations and an inductively coupled plasma optical emission spectrometer (ICP-OES) to determine the concentrations of Al, As, Cd, Pb, and Mn in 106 donors of a human milk bank. Association rules analyses were applied to determine the pattern of binary and ternary mixtures of the measured exposants. The metal concentration was mostly below the limit of detection (LOD) for Cd (99%), Pb (84%), and Hg (72%), and it was above the LOD for As (53%), Mn (60%), and Al (82%), respectively. Median concentrations (dry weight) of Al, As, Hg, Mn, and Pb were 1.81 μg/g, 13.8 ng/g, 7.1 ng/g, 51.1 ng/g, and 0.43 μg/g, respectively. Al is singly the most frequent element to which infants are exposed. Occurring binary combination (> LOD) was 56% for Al-Mn, 41% for Al-As, 22% for Al-Hg, and 13% for Al-Pb. In 100% of neonates, exposure to Al-ethylmercury (EtHg) occurred through immunization with thimerosal-containing vaccines (TCV). Association rules analysis revealed that Al was present in all of the multilevel combinations and hierarchical levels and that it showed a strong link with other neurotoxic elements (especially with Mn, As, and Hg). (a) Nursing infants are exposed to combinations of neurotoxicants by different routes, dosages, and at different stages of development; (b) In breastfed infants, the binary exposures to Al and total Hg can occur through breast milk and additionally through TCV (EtHg and Al); (c) The measured neurotoxic elements were found at low frequencies in breast milk and at concentrations that pose no public health concerns for milk banking.

Correlation between electron work functions of multiphase Cu-8Mn-8Al and de-alloying corrosion

NASA Astrophysics Data System (ADS)

Punburi, P.; Tareelap, N.; Srisukhumbowornchai, N.; Euaruksakul, C.; Yordsri, V.

2018-05-01

Low energy electron emission microscopy (LEEM) was used to measure local transition energy that was directly correlated to electron work function (EWF) of multiphase manganese-aluminum bronze alloys. We developed color mapping to distinguish the EWF of multiple phases and clarified that the EWF were in the following order: EWF of α > EWF of β > EWF of κ (EWFα > EWFβ > EWFκ). De-alloying corrosion took place due to the micro-galvanic cell at grain boundaries before it propagated into the β phase that had lower EWF than the α phase. The α phase was a stable phase because it contained high Cu while the β phase contained high Al and Mn. In addition, XRD analysis showed that the texture coefficient of the β phase revealed that almost all of the grains had (2 2 0) orientation, the lowest EWF compared to (1 1 1) and (2 0 0). Furthermore, transmission electron microscopy illustrated that there were fine Cu3Mn2Al precipitates in the Cu2MnAl matrix of the β phase. These precipitates formed micro-galvanic cells which played an important role in accelerating de-alloying corrosion.

Large Marks-decahedral Pd nanoparticles synthesized by a modified hydrothermal method using a homogeneous reactor

NASA Astrophysics Data System (ADS)

Zhao, Haiqiang; Qi, Weihong; Ji, Wenhai; Wang, Tianran; Peng, Hongcheng; Wang, Qi; Jia, Yanlin; He, Jieting

2017-05-01

Fivefold symmetry appears only in small particles and quasicrystals because internal stress in the particles increases with the particle size. However, a typical Marks decahedron with five re-entrant grooves located at the ends of the twin boundaries can further reduce the strain energy. During hydrothermal synthesis, it is difficult to stir the reaction solution contained in a digestion high-pressure tank because of the relatively small size and high-temperature and high-pressure sealed environment. In this work, we optimized a hydrothermal reaction system by replacing the conventional drying oven with a homogeneous reactor to shift the original static reaction solution into a full mixing state. Large Marks-decahedral Pd nanoparticles ( 90 nm) have been successfully synthesized in the optimized hydrothermal synthesis system. Additionally, in the products, round Marks-decahedral Pd particles were also found for the first time. While it remains a challenge to understand the growth mechanism of the fivefold twinned structure, we proposed a plausible growth-mediated mechanism for Marks-decahedral Pd nanoparticles based on observations of the synthesis process.

Role of Al in Zn bath on the formation of the inhibition layer during hot-dip galvanizing for a 1.2Si-1.5Mn transformation-induced plasticity steel

NASA Astrophysics Data System (ADS)

Wang, Kuang-Kuo; Hsu, Chiung-Wen; Chang, Liuwen; Gan, Dershin; Yang, Kuo-Cheng

2013-11-01

This study investigated the interaction between the Al in the Zn bath and the surface oxides formed by selective oxidation on a 1.2Si-1.5Mn TRIP steel during hot-dip galvanizing. XPS and TEM were employed for characterization. The results indicated that the amorphous xMnO·SiO2 oxide could react with Al to form a Si-Mn-Al-containing oxide. The crystalline MnSiO3 and Mn2SiO4 oxides could be largely reduced by Al to form holes in the oxide film. Consequently, the steel covered by a layer of mixed xMnO·SiO2 and MnSiO3 could form a continuous Fe2Al5 inhibition layer and showed the highest galvanizability among the three samples examined.

Catalysts for selective hydrogenation of furfural derived from the double complex salt [Pd(NH 3 ) 4 ](ReO 4 ) 2 on γ-Al 2 O 3

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

Thompson, Simon T.; Lamb, H. Henry

The double complex salt [Pd(NH3)4](ReO4)2 was employed as precursor of supported bimetallic catalysts for selective hydrogenation of furfural. Direct reduction of [Pd(NH3)4](ReO4)2 on γ-Al2O3 in flowing H2 at 400 °C yields bimetallic nanoparticles 1–2 nm in size that exhibit significant interaction between the metals, as evidenced by temperature-programmed hydride decomposition (complete suppression of β-PdHx formation), extended X-ray absorption fine structure spectroscopy at the Pd K and Re LIII edges (PdRe distance = 2.72 Å), and scanning transmission electron microscopy with energy dispersive X-ray analysis. In contrast, calcination of [Pd(NH3)4](ReO4)2 on γ-Al2O3 at 350 °C in air and subsequent reduction inmore » H2 at 400 °C results in metal segregation and formation of large (>50 nm) supported Pd particles; Re species cover the Pd particles and γ-Al2O3 support. A PdRe 1:2 catalyst prepared by sequential impregnation and calcination using HReO4 and [Pd(NH3)4](NO3)2 has a similar morphology. The catalyst derived by direct reduction of [Pd(NH3)4](ReO4)2 on γ-Al2O3 exhibits remarkably high activity for selective hydrogenation of furfural to furfuryl alcohol (FAL) at 150 °C and 1 atm. Suppression of H2 chemisorption via elimination of Pd threefold sites, as evidenced by CO diffuse-reflectance infrared Fourier transform spectroscopy, correlates with increased FAL selectivity.« less

Application of aluminum-supported Pd, Rh, and Rh-Pd nanoparticles in supercritical carbon dioxide system for hydrodebromination of polybrominated diphenyl ethers.

PubMed

Wu, Ben-Zen; Sun, Yu-Jie; Chen, Yan-Hua; Yak, Hwa Kwang; Yu, Jya-Jyun; Liao, Weisheng; Chiu, KongHwa; Peng, Shie-Ming

2016-08-01

Al-powder-supported Pd, Rh, and Rh-Pd catalysts were synthesized through a spontaneous redox reaction in aqueous solutions. These catalysts hydrodebrominated 4- and 4,4'-bromodiphenyl ethers in supercritical carbon dioxide at 200 atm CO2 containing 10 atm H2 and 80 °C in 1 h. Diphenyl ether was the major product of Pd/Al. Rh/Al and Rh-Pd/Al further hydrogenated two benzene rings of diphenyl ether to form dicyclohexyl ether. The hydrogenolysis of CO bonds on diphenyl ether over Rh/Al and Rh-Pd/Al was observed to generate cyclohexanol and cyclohexane (<1%). With respect to hydrodebromination efficiency and catalyst stability, Rh-Pd/Al among three catalysts is suggested to be used for ex situ degradation of polybrominated diphenyl ethers in supercritical carbon dioxide. Copyright © 2016 Elsevier Ltd. All rights reserved.

Magnetic Sensitivity of AlMn TESes and Shielding Considerations for Next-Generation CMB Surveys

NASA Astrophysics Data System (ADS)

Vavagiakis, E. M.; Henderson, S. W.; Zheng, K.; Cho, H.-M.; Cothard, N. F.; Dober, B.; Duff, S. M.; Gallardo, P. A.; Hilton, G.; Hubmayr, J.; Irwin, K. D.; Koopman, B. J.; Li, D.; Nati, F.; Niemack, M. D.; Reintsema, C. D.; Simon, S.; Stevens, J. R.; Suzuki, A.; Westbrook, B.

2018-05-01

In the next decade, new ground-based cosmic microwave background (CMB) experiments such as Simons Observatory, CCAT-prime, and CMB-S4 will increase the number of detectors observing the CMB by an order of magnitude or more, dramatically improving our understanding of cosmology and astrophysics. These projects will deploy receivers with as many as hundreds of thousands of transition edge sensor (TES) bolometers coupled to superconducting quantum interference device (SQUID)-based readout systems. It is well known that superconducting devices such as TESes and SQUIDs are sensitive to magnetic fields. However, the effects of magnetic fields on TESes are not easily predicted due to the complex behavior of the superconducting transition, which motivates direct measurements of the magnetic sensitivity of these devices. We present comparative four-lead measurements of the critical temperature versus applied magnetic field of AlMn TESes varying in geometry, doping, and leg length, including Advanced ACT and POLARBEAR-2/Simons Array bolometers. MoCu ACTPol TESes are also tested and are found to be more sensitive to magnetic fields than the AlMn devices. We present an observation of weak-link-like behavior in AlMn TESes at low critical currents. We also compare measurements of magnetic sensitivity for time division multiplexing SQUIDs and frequency division multiplexing microwave (μ MUX) rf-SQUIDs. We discuss the implications of our measurements on the magnetic shielding required for future experiments that aim to map the CMB to near-fundamental limits.

Band structure of the quaternary Heusler alloys ScMnFeSn and ScFeCoAl

NASA Astrophysics Data System (ADS)

Shanthi, N.; Teja, Y. N.; Shaji, Shephine M.; Hosamani, Shashikala; Divya, H. S.

2018-04-01

In our quest for materials with specific applications, a theoretical study plays an important role in predicting the properties of compounds. Heusler alloys or compounds are the most studied in this context. More recently, a lot of quaternary Heusler compounds are investigated for potential applications in fields like Spintronics. We report here our preliminary study of the alloys ScMnFeSn and ScFeCoAl, using the ab-initio linear muffin-tin orbital method within the atomic sphere approximation (LMTO-ASA). The alloy ScMnFeSn shows perfect half-metallicity, namely, one of the spins shows a metallic behaviour and the other spin shows semi-conducting behaviour. Such materials find application in devices such as the spin-transfer torque random access memory (STT-MRAM). In addition, the alloy ScMnFeSn is found to have an integral magnetic moment of 4 µB, as predicted by the Slater-Pauling rule. The alloy ScFeCoAl does not show half-metallicity.

Interplay between localization and magnetism in (Ga,Mn)As and (In,Mn)As

NASA Astrophysics Data System (ADS)

Yuan, Ye; Xu, Chi; Hübner, René; Jakiela, Rafal; Böttger, Roman; Helm, Manfred; Sawicki, Maciej; Dietl, Tomasz; Zhou, Shengqiang

2017-10-01

Ion implantation of Mn combined with pulsed laser melting is employed to obtain two representative compounds of dilute ferromagnetic semiconductors (DFSs): G a1 -xM nxAs and I n1 -xM nxAs . In contrast to films deposited by the widely used molecular beam epitaxy, neither Mn interstitials nor As antisites are present in samples prepared by the method employed here. Under these conditions the influence of localization on the hole-mediated ferromagnetism is examined in two DFSs with a differing strength of p-d coupling. On the insulating side of the transition, ferromagnetic signatures persist to higher temperatures in I n1 -xM nxAs compared to G a1 -xM nxAs with the same Mn concentration x . This substantiates theoretical suggestions that stronger p-d coupling results in an enhanced contribution to localization, which reduces hole-mediated ferromagnetism. Furthermore, the findings support strongly the heterogeneous model of electronic states at the localization boundary and point to the crucial role of weakly localized holes in mediating efficient spin-spin interactions even on the insulator side of the metal-insulator transition.

Observation of a Time Quasicrystal and Its Transition to a Superfluid Time Crystal.

PubMed

Autti, S; Eltsov, V B; Volovik, G E

2018-05-25

We report experimental realization of a quantum time quasicrystal and its transformation to a quantum time crystal. We study Bose-Einstein condensation of magnons, associated with coherent spin precession, created in a flexible trap in superfluid ^{3}He-B. Under a periodic drive with an oscillating magnetic field, the coherent spin precession is stabilized at a frequency smaller than that of the drive, demonstrating spontaneous breaking of discrete time translation symmetry. The induced precession frequency is incommensurate with the drive, and hence, the obtained state is a time quasicrystal. When the drive is turned off, the self-sustained coherent precession lives a macroscopically long time, now representing a time crystal with broken symmetry with respect to continuous time translations. Additionally, the magnon condensate manifests spin superfluidity, justifying calling the obtained state a time supersolid or a time supercrystal.

Observation of a Time Quasicrystal and Its Transition to a Superfluid Time Crystal

NASA Astrophysics Data System (ADS)

Autti, S.; Eltsov, V. B.; Volovik, G. E.

2018-05-01

We report experimental realization of a quantum time quasicrystal and its transformation to a quantum time crystal. We study Bose-Einstein condensation of magnons, associated with coherent spin precession, created in a flexible trap in superfluid 3He-B . Under a periodic drive with an oscillating magnetic field, the coherent spin precession is stabilized at a frequency smaller than that of the drive, demonstrating spontaneous breaking of discrete time translation symmetry. The induced precession frequency is incommensurate with the drive, and hence, the obtained state is a time quasicrystal. When the drive is turned off, the self-sustained coherent precession lives a macroscopically long time, now representing a time crystal with broken symmetry with respect to continuous time translations. Additionally, the magnon condensate manifests spin superfluidity, justifying calling the obtained state a time supersolid or a time supercrystal.

Atomic moments in Mn 2CoAl thin films analyzed by X-ray magnetic circular dichroism

DOE PAGES

Jamer, M. E.; Assaf, B. A.; Sterbinsky, G. E.; ...

2014-12-05

Spin gapless semiconductors are known to be strongly affected by structural disorder when grown epitaxially as thin films. The magnetic properties of Mn 2CoAl thin films grown on GaAs (001) substrates are investigated here as a function of annealing. This study investigates the atomic-specific magnetic moments of Mn and Co atoms measured through X-ray magnetic circular dichroism as a function of annealing and the consequent structural ordering. Results indicate that the structural distortion mainly affects the Mn atoms as seen by the reduction of the magnetic moment from its predicted value.

Electronic structure and magnetic properties in T 2 AlB 2 ( T = Fe, Mn, Cr, Co, and Ni) and their alloys

DOE PAGES

Ke, Liqin; Harmon, Bruce N.; Kramer, Matthew J.

2017-03-20

In this study, the electronic structure and intrinsic magnetic properties of Fe 2AlB 2-related compounds and their alloys have been investigated using density functional theory. For Fe 2AlB 2, the crystallographic a axis is the easiest axis, which agrees with experiments. The magnetic ground state of Mn 2AlB 2 is found to be ferromagnetic in the basal ab plane, but antiferromagnetic along the c axis. All 3d dopings considered decrease the magnetization and Curie temperature in Fe 2AlB 2. Electron doping with Co or Ni has a stronger effect on the decreasing of Curie temperature in Fe 2AlB 2 thanmore » hole doping with Mn or Cr. However, a larger amount of Mn doping on Fe 2AlB 2 promotes the ferromagnetic to antiferromagnetic transition. A very anisotropic magnetoelastic effect is found in Fe 2AlB 2: the magnetization has a much stronger dependence on the lattice parameter c than on a or b, which is explained by electronic-structure features near the Fermi level. Dopings of other elements on B and Al sites are also discussed.« less

JPRS Report, Science & Technology, Japan, Structure, Properties of Al Amorphous Alloys

DTIC Science & Technology

1990-12-04

present report, and to the members of the staff, particularly Masaji Nomura, Tetsuya Ishikawa , and Atsushi Koyama, of the High Energy Physics Laboratory...Aichi Educational University, and the research on Al-based quasicrystals was with Shin Takeuchi, and Kaoru Kimura, both of Tokyo University, and Takeshi

Electronic structure, magnetism, and antisite disorder in CoFeCrGe and CoMnCrAl quaternary Heusler alloys

DOE PAGES

Enamullah, .; Venkateswara, Y.; Gupta, Sachin; ...

2015-12-10

In this study, we present a combined theoretical and experimental study of two quaternary Heusler alloys CoFeCrGe (CFCG) and CoMnCrAl (CMCA), promising candidates for spintronics applications. Magnetization measurement shows the saturation magnetization and transition temperature to be 3 μ B, 866 K and 0.9 μ B, 358 K for CFCG and CMCA respectively. The magnetization values agree fairly well with our theoretical results and also obey the Slater-Pauling rule, a prerequisite for half metallicity. A striking difference between the two systems is their structure; CFCG crystallizes in fully ordered Y-type structure while CMCA has L2 1 disordered structure. The antisitemore » disorder adds a somewhat unique property to the second compound, which arises due to the probabilistic mutual exchange of Al positions with Cr/Mn and such an effect is possibly expected due to comparable electronegativities of Al and Cr/Mn. Ab initio simulation predicted a unique transition from half metallic ferromagnet to metallic antiferromagnet beyond a critical excess concentration of Al in the alloy.« less

Al(III), Pd(II), and Zn(II) phthalocyanines for inactivation of dental pathogen Aggregatibacter actinomycetemcomitans as planktonic and biofilm-cultures

NASA Astrophysics Data System (ADS)

Kussovski, V.; Mantareva, V.; Angelov, I.; Avramov, L.; Popova, E.; Dimitrov, S.

2012-06-01

The Gram-negative, oral bacterium Aggregatibacter actinomycetemcomitans has been implicated as the causative agent of several forms of periodontal disease in humans. The new periodontal disease treatments are emergence in order to prevent infection progression. Antimicrobial photodynamic therapy (a-PDT) can be a useful tool for this purpose. It involves the use of light of specific wavelength to activate a nontoxic photosensitizing agent in the presence of oxygen for eradication of target cells, and appears effective in photoinactivation of microorganisms. The phthalocyanine metal complexes of Pd(II)- (PdPcC) and Al(III)- (AlPc1) were evaluated as photodynamic sensitizers towards a dental pathogen A. actinomycetemcomitans in comparison to the known methylpyridyloxy-substituted Zn(II) phthalocyanine (ZnPcMe). The planktonic and biofilm-cultivated species of A. actinomycetemcomitans were treated. The photophysical results showed intensive and far-red absorbance with high tendency of aggregation for Pd(II)-phthalocyanine. The dark toxicities of both photosensitizers were negligible at concentrations used (< 0.5 log decrease of viable cells). The photodynamic response for planktonic cultured bacteria was full photoinactivation after a-PDT with ZnPcMe. In case of the newly studied complexes, the effect was lower for PdPcC (4 log) as well as for AlPc1 (1.5-2 log). As it is known the bacterial biofilms were more resistant to a-PDT, which was confirmed for A. actinomycetemcomitans biofilms with 3 log reductions of viable cells after treatment with ZnPcMe and approximately 1 log reduction of biofilms after PdPcC and AlPc1. The initial results suggest that a-PDT can be useful for effective inactivation of dental pathogen A. actinomycetemcomitans.

The ferromagnetic-spin glass transition in PdMn alloys: symmetry breaking of ferromagnetism and spin glass studied by a multicanonical method.

PubMed

Kato, Tomohiko; Saita, Takahiro

2011-03-16

The magnetism of Pd(1-x)Mn(x) is investigated theoretically. A localized spin model for Mn spins that interact with short-range antiferromagnetic interactions and long-range ferromagnetic interactions via itinerant d electrons is set up, with no adjustable parameters. A multicanonical Monte Carlo simulation, combined with a procedure of symmetry breaking, is employed to discriminate between the ferromagnetic and spin glass orders. The transition temperature and the low-temperature phase are determined from the temperature variation of the specific heat and the probability distributions of the ferromagnetic order parameter and the spin glass order parameter at different concentrations. The calculation results reveal that only the ferromagnetic phase exists at x < 0.02, that only the spin glass phase exists at x > 0.04, and that the two phases coexist at intermediate concentrations. This result agrees semi-quantitatively with experimental results.

Development of permanent magnet MnAlC/polymer composites and flexible filament for bonding and 3D-printing technologies

PubMed Central

Rial, Javier; de Vicente, Javier; Skårman, Björn; Vidarsson, Hilmar; Larsson, Per-Olof

2018-01-01

Abstract Searching for high-performance permanent magnets components with no limitation in shape and dimensions is highly desired to overcome the present design and manufacturing restrictions, which affect the efficiency of the final devices in energy, automotive and aerospace sectors. Advanced 3D-printing of composite materials and related technologies is an incipient route to achieve functional structures avoiding the limitations of traditional manufacturing. Gas-atomized MnAlC particles combined with polymer have been used in this work for fabricating scalable rare earth-free permanent magnet composites and extruded flexible filaments with continuous length exceeding 10 m. Solution casting has been used to synthesize homogeneous composites with tuned particles content, made of a polyethylene (PE) matrix embedding quasi-spherical particles of the ferromagnetic τ-MnAlC phase. A maximum filling factor of 86.5 and 72.3% has been obtained for the composite and the filament after extrusion, respectively. The magnetic measurements reveal no deterioration of the properties of the MnAlC particles after the composite synthesis and filament extrusion. The produced MnAlC/PE materials will serve as precursors for an efficient and scalable design and fabrication of end-products by different processing techniques (polymerized cold-compacted magnets and 3D-printing, respectively) in view of technological applications (from micro electromechanical systems to energy and transport applications). PMID:29887921

Development of permanent magnet MnAlC/polymer composites and flexible filament for bonding and 3D-printing technologies.

PubMed

Palmero, Ester M; Rial, Javier; de Vicente, Javier; Camarero, Julio; Skårman, Björn; Vidarsson, Hilmar; Larsson, Per-Olof; Bollero, Alberto

2018-01-01

Searching for high-performance permanent magnets components with no limitation in shape and dimensions is highly desired to overcome the present design and manufacturing restrictions, which affect the efficiency of the final devices in energy, automotive and aerospace sectors. Advanced 3D-printing of composite materials and related technologies is an incipient route to achieve functional structures avoiding the limitations of traditional manufacturing. Gas-atomized MnAlC particles combined with polymer have been used in this work for fabricating scalable rare earth-free permanent magnet composites and extruded flexible filaments with continuous length exceeding 10 m. Solution casting has been used to synthesize homogeneous composites with tuned particles content, made of a polyethylene (PE) matrix embedding quasi-spherical particles of the ferromagnetic τ -MnAlC phase. A maximum filling factor of 86.5 and 72.3% has been obtained for the composite and the filament after extrusion, respectively. The magnetic measurements reveal no deterioration of the properties of the MnAlC particles after the composite synthesis and filament extrusion. The produced MnAlC/PE materials will serve as precursors for an efficient and scalable design and fabrication of end-products by different processing techniques (polymerized cold-compacted magnets and 3D-printing, respectively) in view of technological applications (from micro electromechanical systems to energy and transport applications).

A Theoretical Investigation on CO Oxidation by Single-Atom Catalysts M1/γ-Al2O3 (M=Pd, Fe, Co, and Ni).

PubMed

Yang, Tao; Fukuda, Ryoichi; Hosokawa, Saburo; Tanaka, Tsunehiro; Sakaki, Shigeyoshi; Ehara, Masahiro

2017-04-07

Single-atom catalysts have attracted much interest recently because of their excellent stability, high catalytic activity, and remarkable atom efficiency. Inspired by the recent experimental discovery of a highly efficient single-atom catalyst Pd 1 /γ-Al 2 O 3 , we conducted a comprehensive DFT study on geometries, stabilities and CO oxidation catalytic activities of M 1 /γ-Al 2 O 3 (M=Pd, Fe, Co, and Ni) by using slab-model. One of the most important results here is that Ni 1 /Al 2 O 3 catalyst exhibits higher activity in CO oxidation than Pd 1 /Al 2 O 3 . The CO oxidation occurs through the Mars van Krevelen mechanism, the rate-determining step of which is the generation of CO 2 from CO through abstraction of surface oxygen. The projected density of states (PDOS) of 2 p orbitals of the surface O, the structure of CO-adsorbed surface, charge polarization of CO and charge transfer from CO to surface are important factors for these catalysts. Although the binding energies of Fe and Co with Al 2 O 3 are very large, those of Pd and Ni are small, indicating that the neighboring O atom is not strongly bound to Pd and Ni, which leads to an enhancement of the reactivity of the O atom toward CO. The metal oxidation state is suggested to be one of the crucial factors for the observed catalytic activity.

The effects of annealing on the microstructure and mechanical properties of Fe 28Ni 18Mn 33Al 21

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

Meng, Fanling; Qiu, Jingwen; Baker, Ian

In this paper, As-cast Fe 28Ni 18Mn 33Al 21, which consists of aligned, 50 nm, (Ni, Al)-rich B2, and (Fe, Mn)-rich f.c.c. phases, was annealed at a variety of temperatures up to 1423 K and the microstructure and mechanical properties were examined. It was shown that the as-cast microstructure arises from a eutectoid transformation at ~1300 K. Annealing at temperatures ≤1073 K produces β-Mn-structured precipitates and hardness values up to 816 HV, while annealing at temperatures >1073 K leads to dramatic coarsening of the two-phase B2/f.c.c. microstructure (up to 5.5 µm after 50 h at 1273 K), but does notmore » lead to β-Mn precipitation. Interestingly, annealing at temperatures >1073 K delays the onset of β-Mn precipitation during subsequent anneals at lower temperatures. Coarsening the B2/f.c.c. lamellar structure by annealing at higher temperatures softens it and leads to increases in ductility from fracture before yield to ~8 % elongation. Finally, the presence of β-Mn precipitates makes the very fine, brittle B2/f.c.c. microstructures even more brittle, but significant ductility (8.4 % elongation) is possible even with β-Mn precipitates present if the B2/f.c.c. matrix is coarse and, hence, more ductile.« less

The effects of annealing on the microstructure and mechanical properties of Fe 28Ni 18Mn 33Al 21

DOE PAGES

Meng, Fanling; Qiu, Jingwen; Baker, Ian; ...

2015-08-20

In this paper, As-cast Fe 28Ni 18Mn 33Al 21, which consists of aligned, 50 nm, (Ni, Al)-rich B2, and (Fe, Mn)-rich f.c.c. phases, was annealed at a variety of temperatures up to 1423 K and the microstructure and mechanical properties were examined. It was shown that the as-cast microstructure arises from a eutectoid transformation at ~1300 K. Annealing at temperatures ≤1073 K produces β-Mn-structured precipitates and hardness values up to 816 HV, while annealing at temperatures >1073 K leads to dramatic coarsening of the two-phase B2/f.c.c. microstructure (up to 5.5 µm after 50 h at 1273 K), but does notmore » lead to β-Mn precipitation. Interestingly, annealing at temperatures >1073 K delays the onset of β-Mn precipitation during subsequent anneals at lower temperatures. Coarsening the B2/f.c.c. lamellar structure by annealing at higher temperatures softens it and leads to increases in ductility from fracture before yield to ~8 % elongation. Finally, the presence of β-Mn precipitates makes the very fine, brittle B2/f.c.c. microstructures even more brittle, but significant ductility (8.4 % elongation) is possible even with β-Mn precipitates present if the B2/f.c.c. matrix is coarse and, hence, more ductile.« less

[Selective catalytic reduction of NOx over Pd/CeZr/TiO2/Al2O3 wire-mesh honeycomb catalysts].

PubMed

Sun, Hong; Quan, Xie; Zhang, Yao-bin; Zhao, Ya-zhi

2008-06-01

Pd/CeZr/TiO2/Al2O3 wire-mesh honeycomb catalyst was prepared by sol-gel and impregnation. Furthermore, selective catalytic reduction of NOx over Pd/CeZr/TiO2/Al2O3 wire-mesh honeycomb catalyst with propylene under lean burn condition was studied. The effects of the concentration of tetra-n-butyl titanate and dipcoat cycles on TiO2 washcoat were studied by SEM, and the effects of Pd concentration, O2 concentration and gas velocity on catalytic activity were investigated. The experimental results showed that the TiO2 washcoat on wire-mesh support is even and crack-free when the support is impregnated in 20.0% tetra- n-butyl titanate sol for 2 cycles. The NOx conversion decreases with Pd concentration increase. When Pd concentration is 0.23%, NOx conversion is highest. NOx conversion increases with oxygen concentration increase in the range of 1.5%-6.0%. However, when oxygen concentration is higher than 6.0%, NOx conversion decreases with increasing oxygen concentration. The NOx conversion decreases with gas velocity increase and its effect is severer at high temperature than low temperature.

Virus templated plasmonic nanoclusters with icosahedral symmetry via directed assembly

NASA Astrophysics Data System (ADS)

Ratna, Banahalli; Fontana, Jake; Dressick, Walter; Phelps, Jamie; Johnson, John; Sampson, Travian; Rendell, Ronald; Soto, Carissa

2015-03-01

Controlling the spatial and orientational order of plasmonic nanoparticles may lead to structures with novel electromagnetic properties and applications such as sub-wavelength imaging and ultra-sensitive chemical sensors. Here we report the directed assembly of three-dimensional, icosahedral plasmonic nanoclusters with resonances at visible wavelengths. We show using transmission electron microcopy and in situ dynamic light scattering the nanoclusters consist of twelve gold nanospheres attached to thiol groups at predefined locations on the surface of a genetically engineered cowpea mosaic virus with icosahedral symmetry. We measured the bulk absorbance from aqueous suspensions of nanoclusters and reproduced the major features of the spectrum using finite-element simulations. Furthermore, because the viruses are easily produced in gram quantities the directed assembly approach is capable of high-throughput, providing a strategy to realize large quantities for applications. NRL summer intern under the HBCU/MI Summer Research Program.

Internal energy transfer phenomenon and light-emission properties of γ-LiAlO2 phosphor doped with Mn2+

NASA Astrophysics Data System (ADS)

Wang, Bai-Bin; Chang, Chi-Fen; Yang, Wein-Duo

2013-07-01

γ-LiAlO2:Mn2+ phosphor was synthesized using the cellulose-citric acid sol-gel method, and its light emission and energy transfer properties were investigated. Excitation and emission spectrum analysis revealed a decrease in intensity of the spectrum as the amount of Mn2+ doping increased. Blasse's equation determined the maximum distance for energy transfer between Mn2+ ions as 4.3142 nm. Dexter's theory verifies that the mechanism of energy transfer between Mn2+ ions conforms to an electric dipole and electric quadrupole interaction.

Correlation of martensitic transformation temperatures of Ni- Mn-Ga/Al-X alloys to non-bonding electron concentration

NASA Astrophysics Data System (ADS)

Ramudu, M.; Satish Kumar, A.; Seshubai, V.; Rajasekharan, T.

2015-02-01

The martensitic transformation TM of the alloys of Ni-Mn-Ga and Ni-Mn-Al show a general trend of increase with electron per atom ratio (e/a) calculated from the total number of electrons outside the rare gas shell of the atoms. However prediction of TM fails among iron substituted Ni-Mn-Ga alloys and those with In doped for Ga, due to the absence of a useful trend. A scheme of computing modified electron concentration is presented considering only the non-bonding electrons per atom Ne/a of the compounds, based on Pauling's ideas on the electronic structure of metallic elements. Systematic variation of TM with Ne/a is reproduced for a large number of alloys of Ni-Mn-Ga and the anomaly observed for Fe containing alloys with e/a disappears. The non-bonding electron concentration is thus demonstrated to be effective in predicting TM of shape memory alloys of Ni-Mn-Ga-X system including the isoelectronic compounds of Ni-Mn-Ga-In.

MALEIC ANHYDRIDE HYDROGENATION OF PD/AL2O3 CATALYST UNDER SUPERCRITICAL CO2 MEDIUM

EPA Science Inventory

Hydrogenation of maleic anhydride (MA) to either y-butyrolactone of succinic anhydride over simple Pd/Al2O3 impregnated catalyst in supercritical CO2 medium has been studied at different temperatures and pressures. A comparison of the supercritical CO2 medium reaction with the c...

Strength of "Light" Ferritic and Austenitic Steels Based on the Fe - Mn - Al - C System

NASA Astrophysics Data System (ADS)

Kaputkina, L. M.; Svyazhin, A. G.; Smarygina, I. V.; Kindop, V. E.

2017-01-01

The phase composition, the hardness, the mechanical properties at room temperature, and the resistance to hot (950 - 1000°C) and warm (550°C) deformation are studied for cast deformable "light" ferritic and austenitic steels of the Fe - (12 - 25)% Mn - (0 - 15)% Al - (0 - 2)% C system alloyed additionally with about 5% Ni. The high-aluminum high-manganese low-carbon and carbonless ferritic steels at a temperature of about 0.5 T melt have a specific strength close to that of the austenitic steels and may be used as weldable scale-resistant and wear-resistant materials. The high-carbon Fe - (20 - 24)% Mn - (5 - 9)% Al - 5% Ni - 1.5% C austenitic steels may be applied as light high-strength materials operating at cryogenic temperatures after a solution treatment and as scale- and heat-resistant materials in an aged condition.

Al-Mn CVD-FBR coating on P92 steel as protection against steam oxidation at 650 °C: TGA-MS study

NASA Astrophysics Data System (ADS)

Castañeda, S. I.; Pérez, F. J.

2018-02-01

The initial stages oxidation of the P92 ferritic/martensitic steel with and without Al-Mn coating at 650 °C in Ar+40%H2O for 240 h were investigated by mass spectrometry (MS) and thermogravimetric analysis (TGA). TGA-MS measurements were conducted in a closed steam loop. An Al-Mn coating was deposited on P92 steel at 580 °C for 2 h by chemical vapour deposition in a fluidized bed reactor (CVD-FBR). The coating as-deposited was treated in the same reactor at 700 °C in Ar for 2h, in order to produce aluminide phases that form the protective alumina layer (Al2O3) during oxidation. MS measurements at 650 °C of the Al-Mn/P92 sample for 200 h indicated the presence of (Al-Mn-Cr-Fe-O) volatile species of small intensity. Uncoated P92 steel oxidized under the same steam oxidation conditions emitted greater intensities of volatile species of Cr, Fe and Mo in comparison with intensities from coated steel. TGA measurements verified that the mass gained by the coated sample was up to 300 times lower than for uncoated P92 steel. The morphology, composition and structure of samples by Scanning Electron Microscopy SEM, Backscattered Electron (BSE) detection, X-ray Energy Dispersive Spectrometry (EDAX) and X-ray Diffraction (XRD) are described.

A Theoretical Investigation on CO Oxidation by Single‐Atom Catalysts M1/γ‐Al2O3 (M=Pd, Fe, Co, and Ni)

PubMed Central

Yang, Tao; Fukuda, Ryoichi; Hosokawa, Saburo; Tanaka, Tsunehiro

2017-01-01

Abstract Single‐atom catalysts have attracted much interest recently because of their excellent stability, high catalytic activity, and remarkable atom efficiency. Inspired by the recent experimental discovery of a highly efficient single‐atom catalyst Pd1/γ‐Al2O3, we conducted a comprehensive DFT study on geometries, stabilities and CO oxidation catalytic activities of M1/γ‐Al2O3 (M=Pd, Fe, Co, and Ni) by using slab‐model. One of the most important results here is that Ni1/Al2O3 catalyst exhibits higher activity in CO oxidation than Pd1/Al2O3. The CO oxidation occurs through the Mars van Krevelen mechanism, the rate‐determining step of which is the generation of CO2 from CO through abstraction of surface oxygen. The projected density of states (PDOS) of 2p orbitals of the surface O, the structure of CO‐adsorbed surface, charge polarization of CO and charge transfer from CO to surface are important factors for these catalysts. Although the binding energies of Fe and Co with Al2O3 are very large, those of Pd and Ni are small, indicating that the neighboring O atom is not strongly bound to Pd and Ni, which leads to an enhancement of the reactivity of the O atom toward CO. The metal oxidation state is suggested to be one of the crucial factors for the observed catalytic activity. PMID:28515795

Semiclassical dynamics, Berry curvature, and spiral holonomy in optical quasicrystals

NASA Astrophysics Data System (ADS)

Spurrier, Stephen; Cooper, Nigel R.

2018-04-01

We describe the theory of the dynamics of atoms in two-dimensional quasicrystalline optical lattices. We focus on a regime of shallow lattice depths under which the applied force can cause Landau-Zener tunneling past a dense hierarchy of gaps in the quasiperiodic energy spectrum. We derive conditions on the external force that allow for a "semiadiabatic" regime in which semiclassical equations of motion can apply, leading to Bloch oscillations between the edges of a pseudo-Brillouin-zone. We verify this semiclassical theory by comparing to the results of an exact numerical solution. Interesting features appear in the semiclassical dynamics for the quasicrystal for a particle driven in a cyclic trajectory around the corner of the pseudo-Brillouin-zone: The particle fails to return to its initial state, providing a realization of a "spiral holonomy" in the dynamics. We show that there can appear anomalous velocity contributions, associated with nonzero Berry curvature. We relate these to the Berry phase associated with the spiral holonomy, and show how the Berry curvature can be accessed from the semiclassical dynamics. Finally, by identifying the pseudo-Brillouin-zone as a higher genus surface, we show that the Chern number classification for periodic systems can be extended to a quasicrystal, thereby determining a topological index for the system.

Effects of acidic solutions on element dynamics in the monsoon evergreen broad-leaved forest at Dinghushan, China. Part 2: dynamics of Fe, Cu, Mn and Al.

PubMed

Liu, Juxiu; Zhou, Guoyi; Zhang, Deqiang

2007-05-01

Soil metal dynamics are affected by acid deposition. Little knowledge is available about the process in the lateritic soils under the monsoon forest in south China. Samplings of Acmera acuminatissima, Cryptocarya concinna and Schima superba were grown from October, 2000 to July, 2002 in pots with a natural acid lateritic forest soil from Dinghushan. Pots were watered weekly with an acid solution (pH 3.05, 3.52, 4.00 or 4.40) or with tap water. Fe, Mn, Cu and Al were measured in soils, leachates and sapling leaves. Soil extractable Fe and leachate Al and Mn concentrations increased with a decreasing treatment pH. Soil reactive Al exhibited the opposite trend and decreased over time. The Ca/Al and Mg/ (Al+Mn) ratios did not decrease in the leaves of Schima superba, but decreased with a decreasing treatment pH for Cryptocaria concinna. Both ratios only decreased in the pH 3.05 treatment for Acmena Cu will not be toxic for plants since soil extractable Cu was not high and Fe will not be toxic either given that its root uptake was inhibited by Mn. Acid rains will lead to increased Mn and Al mobility in soil. Cryptocaria concinna will be the most sensible species to these changes (nutrient deficiency and direct Mn toxicity), while Schima superba should retain a good growth.

Magnetic properties of transition metal substituted La 0.85Ag 0.15Mn 1-yM yO 3 compounds (M=Co, Cr and Al)

NASA Astrophysics Data System (ADS)

Srivastava, S. K.; Ravi, S.

2009-12-01

In this paper we report a systematic study of Mn-site substitution by M=Co, Cr and Al in La 0.85Ag 0.15MnO 3 series to understand the magnetic interactions between Mn and other transition metals. The long-range ferromagnetic (FM) ordering of the parent compound was significantly affected by Mn-site substitution. The measured magnetic properties of Co-doped samples have been explained on the basis of FM interactions in Mn 3+-O-Mn 4+, Co 2+-O-Mn 4+, Co 3+-O-Mn 4+ networks and simultaneous antiferromagnetic (AFM) interactions in Mn 4+-O-Mn 4+, Co 2+-O-Mn 3+ networks. The magnetic properties of Cr-doped compounds could be understood on the basis of double exchange FM interactions in Mn 3+-O 2--Mn 4+ networks and competing AFM in Cr 3+-O-Mn 4+, Mn 4+-O-Mn 4+, Cr 3+-O-Mn 3+ networks. However, it is found that the doping of Al ions play a role of magnetic dilution, without contributing any other competing magnetic interaction. The field variations of magnetization of all the above three series could be analysed by fitting to Brillouin function model and the effective spin contribution for FM has been determined. The measured saturation magnetization has been explained quantitatively.

Novel Solar Energy Conversion Materials by Design of Mn(II) Oxides

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

Lany, S.; Peng, H.; Ndione, P.

2013-01-01

Solar energy conversion materials need to fulfill simultaneously a number of requirements in regard of their band-structure, optical properties, carrier transport, and doping. Despite their desirable chemical properties, e.g., for photo-electrocatalysis, transition-metal oxides usually do not have desirable semiconducting properties. Instead, oxides with open cation d-shells are typically Mott or charge-transfer insulators with notoriously poor transport properties, resulting from large effective electron/hole masses or from carrier self-trapping. Based on the notion that the electronic structure features (p-d interaction) supporting the p-type conductivity in d10 oxides like Cu2O and CuAlO2 occurs in a similar fashion also in the d5 (high-spin) oxides,more » we recently studied theoretically the band-structure and transport properties of the prototypical binary d5 oxides MnO and Fe2O3 [PRB 85, 201202(R)]. We found that MnO tends to self-trap holes by forming Mn+III, whereas Fe2O3 self-traps electrons by forming Fe+II. However, the self-trapping of holes is suppressed by when Mn is tetrahedrally coordinated, which suggests specific routes to design novel solar conversion materials by considering ternary Mn(II) oxides or oxide alloys. We are presenting theory, synthesis, and initial characterization for these novel energy materials.« less

Magnetic characteristics of CoPd and FePd antidot arrays on nanoperforated Al2O3 templates

NASA Astrophysics Data System (ADS)

Maximenko, A.; Fedotova, J.; Marszałek, M.; Zarzycki, A.; Zabila, Y.

2016-02-01

Hard magnetic antidot arrays show promising results in context of designing of percolated perpendicular media. In this work the technology of magnetic FePd and CoPd antidot arrays fabrication is presented and correlation between surface morphology, structure and magnetic properties is discussed. CoPd and FePd antidot arrays were fabricated by deposition of Co/Pd and Fe/Pd multilayers (MLs) on porous anodic aluminum oxide templates with bowl-shape cell structure with inclined intercellular regions. FePd ordered L10 structure was obtained by successive vacuum annealing at elevated temperatures (530 °C) and confirmed by XRD analysis. Systematic analysis of magnetization curves evidenced perpendicular magnetic anisotropy of CoPd antidot arrays, while FePd antidot arrays revealed isotropic magnetic anisotropy with increased out-of-plane magnetic contribution. MFM images of antidots showed more complicated contrast, with alternating magnetic dots oriented parallel and antiparallel to tip magnetization moment.

Magnetic hysterysis evolution of Ni-Al alloy with Fe and Mn substitution by vacuum arc melting to produce the room temperature magnetocaloric effect material

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

Notonegoro, Hamdan Akbar; Mechanical Engineering Dept., FT-Universitas Sultan Ageng Tirtayasa, Cilegon 42435; Kurniawan, Budhy

The development of magnetocaloric effect (MCE) material is done in order to reduce the damage of the ozone layer caused by the chlorofluorocarbons (CFCs) emitted into the air. The research dealing with synthesis of magnetocaloric materials based of Ni-Al Heusler Alloy structure and by varying substitution some atoms of Ni with Fe and Al with Mn on Ni-Al Heusler Alloy structure to become Ni{sub 44}Fe{sub 6}Mn{sub 32}Al{sub 18}. Vacuum Arc Melting (VAM) equipment is used to form the alloys on vacuum condition and by flowing argon gas atmosphere and then followed by annealing process for 72 hours. X-Ray Diffraction (XRD)more » reveals that crystallite structure of material is observed. We define that Ni{sub 44}Fe{sub 6} as X{sub 2}, Mn{sub 25} as Y, and Al{sub 18}Mn{sub 7} as Z. Based on the XRD result, we observed that the general formula X{sub 2}YZ is not changed. The PERMAGRAF measurement revealed that there exists of magnetic hysterysis. The hysterysis show that the magnetic structures of the system undego evolution from diamagnetic to soft ferromagnetic material which all of the compound have the same crystallite structure. This evolution indicated that the change in the composition has led to changes the magnetic composition. Mn is the major element that gives strong magnetic properties to the sample. When Mn partially replaced position of Al, the sample became dominant to be influenced to improve their magnetic properties. In addition, substitution a part of Ni by Fe in the composition reveals a pinning of the domain walls in the sample.« less

Red Emission of SrAl2O4:Mn4+ Phosphor for Warm White Light-Emitting Diodes

NASA Astrophysics Data System (ADS)

Chi, N. T. K.; Tuan, N. T.; Lien, N. T. K.; Nguyen, D. H.

2018-05-01

In this work, SrAl2O4:Mn4+ phosphor is prepared by co-precipitation. The phase structure, morphology, composition and luminescent performance of the phosphor are investigated in detail with x-ray diffraction, field emission scanning electron microscopy, steady-state photoluminescence (PL) spectra, and temperature-dependent PL measurements. The phosphor shows a strong red emission peak at ˜ 690 nm, which is due to the transition between electronic levels and the electric dipole transition 2Eg to 4A2g of Mn4+ ions located at the sites with D3d local symmetry. The sample doped with 0.04 mol.% Mn4+ exhibits intense red emission with high thermal stability and appropriate International Commission on Illumination (CIE) coordinates (x = 0.6959, y = 0.2737). It is also found that the phosphor absorption in an extended band from 250 nm to 500 nm has three peaks at 320 nm, 405 nm, and 470 nm, which match well with the emission band of ultraviolet (UV) lighting emission diode (LED) or blue LED chips. These results demonstrate that SrAl2O4:Mn4+ phosphor can play the role of activator in narrow red-emitting phosphor, which is potentially useful in UV (˜ 320 nm) or blue (˜ 460 nm) LED.

Cubic structure and canted antiferromagnetism of CaMn7O12 doped with trivalent cations (Fe, Al, Cr)

NASA Astrophysics Data System (ADS)

Motin Seikh, Md.; Caignaert, V.; Lebedev, O. I.; Raveau, B.

2014-02-01

In this study, we show the dramatic effect of the doping of the octahedral sites with M3+ cations (Fe3+, Al3+ and Cr3+) upon the structure and magnetism of the rhombohedral double perovskite CaMn7O12. In the oxides CaMn7-xMxO12, charge ordering between Mn3+ and Mn4+ octahedral sites is destroyed leading to the cubic structure (Im-3), whereas the initial magnetic properties (TN~90 K) have disappeared leading to canted antiferromagnetism (TN≈50-70 K) for small x values (x ~0.2-1). A spin glass like behaviour is also observed for larger values (x~1) in the case of Fe substitution.

HYDROGENATION OF 4-OXOISOPHORONE OVER PD/AL2/O2 CATALYST UNDER SUPERCRITICAL CO2 MEDIUM

EPA Science Inventory

Hydrogenation of 4-oxoisophorone has been studied over 1% Pd/Al2O3 impregnated catalyst in supercritical CO2 medium at different reaction conditions. The effect of temperature, pressure and reaction medium on the conversion and product selectivity is discussed. Phase behavior stu...

Luminescence properties and warm white LED application of a ternary-alkaline fluoride red phosphor K2NaAlF6:Mn4+ .

PubMed

Wang, L Y; Song, E H; Deng, T T; Zhou, Y Y; Liao, Z F; Zhao, W R; Zhou, B; Zhang, Q Y

2017-08-14

Herein, a Mn 4+ ion doped complex ternary-alkaline fluoride red phosphor K 2 NaAlF 6 :Mn 4+ has been synthesized through a facile two-step co-precipitation method at room temperature. The crystal structure, morphological properties and influence of the dopant concentration, temperature and humidity on luminescence properties as well as the performance of the as-synthesized phosphor used in white light emitting diodes (WLEDs) were investigated carefully. Intense absorption in the blue region (∼460 nm) and bright narrow-band red emission (∼630 nm) with high color purity were observed from this resultant powder. Temperature-dependent investigation and reliability examination in a HTHH environment (85 °C high temperature and 85% high humidity) indicate that the obtained ternary-alkaline fluoride phosphor K 2 NaAlF 6 :Mn 4+ presents more exceptional thermal quenching behavior and longevity compared to some other binary-alkaline fluorides. Moreover, using K 2 NaAlF 6 :Mn 4+ as a red light component, a warm WLED with a preferable color rendering index (R a = 85.5) and luminous efficacy (LE = 91.2 lm W -1 ) as well as a low corresponding color temperature (CCT = 3650 K) is easily achieved, further revealing the great potential of the as-prepared ternary-alkaline fluoride red phosphor K 2 NaAlF 6 :Mn 4+ for WLED applications.

Influence of Homogenization on Microstructural Response and Mechanical Property of Al-Cu-Mn Alloy.

PubMed

Wang, Jian; Lu, Yalin; Zhou, Dongshuai; Sun, Lingyan; Li, Renxing; Xu, Wenting

2018-05-29

The evolution of the microstructures and properties of large direct chill (DC)-cast Al-Cu-Mn alloy ingots during homogenization was investigated. The results revealed that the Al-Cu-Mn alloy ingots had severe microsegregation and the main secondary phase was Al₂Cu, with minimal Al₇Cu₂Fe phase. Numerous primary eutectic phases existed in the grain boundary and the main elements were segregated at the interfaces along the interdendritic region. The grain boundaries became discontinuous, residual phases were effectively dissolved into the matrix, and the segregation degree of all elements was reduced dramatically during homogenization. In addition, the homogenized alloys exhibited improved microstructures with finer grain size, higher number density of dislocation networks, higher density of uniformly distributed θ' or θ phase (Al₂Cu), and higher volume fraction of high-angle grain boundaries compared to the nonhomogenized samples. After the optimal homogenization scheme treated at 535 °C for 10 h, the tensile strength and elongation% were about 24 MPa, 20.5 MPa, and 1.3% higher than those of the specimen without homogenization treatment.

Evaluation of high-strength Cu-Ni-Mn-Al bolting used in oil and gas service

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

Andersen, O.; Joosten, M.W.; Murali, J.

1996-08-01

High strength bolts, nuts, studs and screws manufactured from a precipitation hardening Cu-Ni-Mn-Al alloy have experienced several failures in recent years in oilfield installations with varying degrees of severity and consequence. Such failures have been broadly attributed to Stress Corrosion Cracking (SCC) and Liquid Metal Embrittlement (LME) phenomena. A detailed test program using the Slow Strain Rate Testing (SSRT) method has been conducted to identify the various parameters which could contribute to SCC. Results indicate that the Cu-Ni-Mn-Al alloy is susceptible to SCC in a variety of environments commonly found in oilfield equipment manufacturing and field installations such as amine-containingmore » additives, sulfides and even natural seawater at elevated temperatures. SSRT testing indicated, however, that, in seawater environments, low service temperatures and cathodic protection did not adversely affect the alloy`s performance. Discussion of test program results and qualitative correlations with field failures are presented.« less

Revisiting the ground state of CoAl 2 O 4 : Comparison to the conventional antiferromagnet MnAl 2 O 4

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

MacDougall, Gregory J.; Aczel, Adam A.; Su, Yixi

The A-site spinel material CoAl 2O 4 is a physical realization of the frustrated diamond-lattice antiferromagnet, a model in which unique incommensurate or “spin-spiral-liquid” ground states are predicted. Our previous single-crystal neutron scattering study instead classified it as a “kinetically inhibited” antiferromagnet, where the long-ranged correlations of a collinear Néel ground state are blocked by the freezing of domain-wall motion below a first-order phase transition at T*=6.5 K. This study provides new data sets from a number of experiments, which support and expand this work in several important ways. We show that the phenomenology leading to the kinetically inhibited ordermore » is unaffected by sample measured and instrument resolution, while new low-temperature measurements reveal spin correlations are unchanging between T=2 K and 250 mK, consistent with a frozen state. Polarized diffuse neutron measurements show several interesting magnetic features, which can be entirely explained by the existence of short-ranged Néel order. Finally, and crucially, this paper presents some neutron scattering studies of single crystalline MnAl 2O 4, which acts as an unfrustrated analog to CoAl 2O 4 and shows all the hallmarks of a classical antiferromagnet with a continuous phase transition to Néel order at T N=39 K. Direct comparison between the two compounds indicates that CoAl 2O 4 is unique, not in the nature of high-temperature diffuse correlations, but rather in the nature of the frozen state below T*. Finally, the higher level of cation inversion in the MnAl 2O 4 sample indicates that this behavior is primarily an effect of greater next-nearest-neighbor exchange.« less

Revisiting the ground state of CoAl 2 O 4 : Comparison to the conventional antiferromagnet MnAl 2 O 4

DOE PAGES

MacDougall, Gregory J.; Aczel, Adam A.; Su, Yixi; ...

2016-11-17

The A-site spinel material CoAl 2O 4 is a physical realization of the frustrated diamond-lattice antiferromagnet, a model in which unique incommensurate or “spin-spiral-liquid” ground states are predicted. Our previous single-crystal neutron scattering study instead classified it as a “kinetically inhibited” antiferromagnet, where the long-ranged correlations of a collinear Néel ground state are blocked by the freezing of domain-wall motion below a first-order phase transition at T*=6.5 K. This study provides new data sets from a number of experiments, which support and expand this work in several important ways. We show that the phenomenology leading to the kinetically inhibited ordermore » is unaffected by sample measured and instrument resolution, while new low-temperature measurements reveal spin correlations are unchanging between T=2 K and 250 mK, consistent with a frozen state. Polarized diffuse neutron measurements show several interesting magnetic features, which can be entirely explained by the existence of short-ranged Néel order. Finally, and crucially, this paper presents some neutron scattering studies of single crystalline MnAl 2O 4, which acts as an unfrustrated analog to CoAl 2O 4 and shows all the hallmarks of a classical antiferromagnet with a continuous phase transition to Néel order at T N=39 K. Direct comparison between the two compounds indicates that CoAl 2O 4 is unique, not in the nature of high-temperature diffuse correlations, but rather in the nature of the frozen state below T*. Finally, the higher level of cation inversion in the MnAl 2O 4 sample indicates that this behavior is primarily an effect of greater next-nearest-neighbor exchange.« less

A Study of Al-Mn Transition Edge Sensor Engineering for Stability

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

George, E. M.; et al.

2013-11-10

The stability of Al-Mn transition edge sensor (TES) bolometers is studied as we vary the engineered TES transition, heat capacity, and/or coupling between the heat capacity and TES. We present thermal structure measurements of each of the 39 designs tested. The data is accurately fit by a two-body bolometer model, which allows us to extract the basic TES parameters that affect device stability. We conclude that parameters affecting device stability can be engineered for optimal device operation, and present the model parameters extracted for the different TES designs.

Ab initio molecular dynamics simulations of short-range order in Zr50Cu45Al5 and Cu50Zr45Al5 metallic glasses

NASA Astrophysics Data System (ADS)

Huang, Yuxiang; Huang, Li; Wang, C. Z.; Kramer, M. J.; Ho, K. M.

2016-03-01

Comparative analysis between Zr-rich Zr50Cu45Al5 and Cu-rich Cu50Zr45Al5 metallic glasses (MGs) is extensively performed to locate the key structural motifs accounting for their difference of glass forming ability. Here we adopt ab initio molecular dynamics simulations to investigate the local atomic structures of Zr50Cu45Al5 and Cu50Zr45Al5 MGs. A high content of icosahedral-related (full and distorted) orders was found in both samples, while in the Zr-rich MG full icosahedrons < 0,0,12,0> is dominant, and in the Cu-rich one the distorted icosahedral orders, especially < 0,2,8,2> and < 0,2,8,1> , are prominent. And the < 0,2,8,2> polyhedra in Cu50Zr45Al5 MG mainly originate from Al-centered clusters, while the < 0,0,12,0> in Zr50Cu45Al5 derives from both Cu-centered clusters and Al-centered clusters. These difference may be ascribed to the atomic size difference and chemical property between Cu and Zr atoms. The relatively large size of Zr and large negative heat of mixing between Zr and Al atoms, enhancing the packing density and stability of metallic glass system, may be responsible for the higher glass forming ability of Zr50Cu45Al5.

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

DOE PAGES

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

2017-07-18

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

Magnetotransport properties of microstructured AlCu2Mn Heusler alloy thin films in the amorphous and crystalline phase

NASA Astrophysics Data System (ADS)

Barzola-Quiquia, José; Stiller, Markus; Esquinazi, Pablo D.; Quispe-Marcatoma, Justiniano; Häussler, Peter

2018-06-01

We have studied the resistance, magnetoresistance and Hall effect of AlCu2Mn Heusler alloy thin films prepared by flash evaporation on substrates cooled at 4He liquid temperature. The as-prepared samples were amorphous and were annealed stepwise to induce the transformation to the crystalline phase. The amorphous phase is metastable up to above room temperature and the transition to the crystalline phase was observed by means of resistance measurements. Using transmission electron microscopy, we have determined the structure factor S (K) and the pair correlation function g (r) , both results indicate that amorphous AlCu2Mn is an electronic stabilized phase. The X-ray diffraction of the crystallized film shows peaks corresponding to the well ordered L21 phase. The resistance shows a negative temperature coefficient in both phases. The magnetoresistance (MR) is negative in both phases, yet larger in the crystalline state compared to the amorphous one. The magnetic properties were studied further by anomalous Hall effect measurements, which were present in both phases. In the amorphous state, the anomalous Hall effect disappears at temperatures below 175 K and is present up to above room temperature in the case of crystalline AlCu2Mn.

Spherical α-MnO₂ Supported on N-KB as Efficient Electrocatalyst for Oxygen Reduction in Al-Air Battery.

PubMed

Chen, Kui; Wang, Mei; Li, Guangli; He, Quanguo; Liu, Jun; Li, Fuzhi

2018-04-13

Traditional noble metal platinum (Pt) is regarded as a bifunctional oxygen catalyst due to its highly catalytic efficiency, but its commercial availability and application is often restricted by high cost. Herein, a cheap and effective catalyst mixed with α-MnO₂ and nitrogen-doped Ketjenblack (N-KB) (denoted as MnO₂-SM150-0.5) is examined as a potential electrocatalyst in oxygen reduction reactions (ORR) and oxygen evolution reactions (OER). This α-MnO₂ is prepared by redox reaction between K₂S₂O₈ and MnSO₄ in acid conditions with a facile hydrothermal process (named the SM method). As a result, MnO₂-SM150-0.5 exhibits a good catalytic performance for ORR in alkaline solution, and this result is comparable to a Pt/C catalyst. Moreover, this catalyst also shows superior durability and methanol tolerance compared with a Pt/C catalyst. It also displays a discharge voltage (~1.28 V) at a discharge density of 50 mA cm -2 in homemade Al-air batteries that is higher than commercial 20% Pt/C (~1.19 V). The superior electrocatalytic performance of MnO₂-SM150-0.5 could be attributed to its higher Mn 3+ /Mn 4+ ratio and the synergistic effect between MnO₂ and the nitrogen-doped KB. This study provides a novel strategy for the preparation of an MnO₂-based composite electrocatalyst.

Structural and optical characterizations of Ca2Al2SiO7:Ce3+, Mn2+ nanoparticles produced via a hybrid route

NASA Astrophysics Data System (ADS)

Teixeira, V. C.; Montes, P. J. R.; Valerio, M. E. G.

2014-07-01

Pure, Ce3+ doped and Ce3+ and Mn2+ co-doped Ca2Al2SiO7 ceramic powders were prepared by two different methodologies which are the proteic sol-gel process and a new hybrid route combining the proteic sol-gel with solid state reaction processes. The second one is an eco-friendly method because it uses natural raw materials in replacement of the metal alkoxides used in the traditional sol-gel routes. X-ray diffraction showed that Ca2Al2SiO7 crystalline phase was obtained for both preparations. Differential thermal analysis indicated that the exothermic event around 850 °C, for sample produced by proteic sol-gel method, and around 927 °C, for ceramics prepared by hybrid synthesis, can be associated to crystallization of Ca2Al2SiO7. Transmission electron microscope indicates that regular and spherical nanoparticles were obtained with average sizes of about 12 nm. The Scherrer's method was used to determine the average crystallite sizes and it was shown that nanometric crystallites were obtained of about 74 nm for samples produced via hybrid route. For all the single phase samples, the crystallite sizes are about the same and that agrees with TEM results. Diffuse optical reflectance measurements were used to estimate the Ca2Al2SiO7 optical band gap and the obtained value is about 6 eV, photoluminescence (PL) spectra presented typical emissions of Ce3+ and Mn2+ ions. Upon excitation at 352 nm the emission spectra showed a broad band centered at 415 nm due to the Ce3+ 4f1 → 5d1 typical transition. This emission is resonant with Mn2+ excitation and it transfers energy to Mn ions generating a second broad emission band centered at 620 nm due to the Mn2+. The PL results were used to obtain, as a fist approach, the Ce3+ energy levels diagram and, using the Tanabe-Sugano diagrams, the transitions due to the Mn2+ were calculated. X-ray excited optical luminescence measurements showed the same emission spectra as the PL emission spectra. Luminescence lifetime decay constants

Phase Transformations of an Fe-0.85 C-17.9 Mn-7.1 Al Austenitic Steel After Quenching and Annealing

NASA Astrophysics Data System (ADS)

Cheng, Wei-Chun

2014-09-01

Low-density Mn-Al steels could potentially be substitutes for commercial Ni-Cr stainless steels. However, the development of the Mn-Al stainless steels requires knowledge of the phase transformations that occur during the steel making processes. Phase transformations of an Fe-0.85 C-17.9 Mn-7.1 Al (wt.%) austenitic steel, which include spinodal decomposition, precipitation transformations, and cellular transformations, have been studied after quenching and annealing. The results show that spinodal decomposition occurs prior to the precipitation transformation in the steel after quenching and annealing at temperatures below 1023 K and that coherent fine particles of L12-type carbide precipitate homogeneously in the austenite. The cellular transformation occurs during the transformation of high-temperature austenite into lamellae of austenite, ferrite, and kappa carbide at temperatures below 1048 K. During annealing at temperatures below 923 K, the austenite decomposes into lamellar austenite, ferrite, κ-carbide, and M23C6 carbide grains for another cellular transformation. Last, when annealing at temperatures below 873 K, lamellae of ferrite and κ-carbide appear in the austenite.

Structural, microstructural and magnetic evolution in cryo milled carbon doped MnAl.

PubMed

Fang, Hailiang; Cedervall, Johan; Hedlund, Daniel; Shafeie, Samrand; Deledda, Stefano; Olsson, Fredrik; von Fieandt, Linus; Bednarcik, Jozef; Svedlindh, Peter; Gunnarsson, Klas; Sahlberg, Martin

2018-02-06

The low cost, rare earth free τ-phase of MnAl has high potential to partially replace bonded Nd 2 Fe 14 B rare earth permanent magnets. However, the τ-phase is metastable and it is experimentally difficult to obtain powders suitable for the permanent magnet alignment process, which requires the fine powders to have an appropriate microstructure and high τ-phase purity. In this work, a new method to make high purity τ-phase fine powders is presented. A high purity τ-phase Mn 0.55 Al 0.45 C 0.02 alloy was synthesized by the drop synthesis method. The drop synthesized material was subjected to cryo milling and  followed by a flash heating process. The crystal structure and microstructure of the drop synthesized, cryo milled and flash heated samples were studied by X-ray in situ powder diffraction, scanning electron microscopy, X-ray energy dispersive spectroscopy and electron backscatter diffraction. Magnetic properties and magnetic structure of the drop synthesized, cryo milled, flash heated  samples were characterized by magnetometry and neutron powder diffraction, respectively. The results reveal that the 2 and 4 hours cryo milled and flash heated samples both exhibit high τ-phase purity and micron-sized round particle shapes. Moreover, the flash heated samples display high saturation magnetization as well as increased coercivity.

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

PubMed

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

2016-11-30

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

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

PubMed Central

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

2016-01-01

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

Crystallography of decahedral and icosahedral particles. II - High symmetry orientations

NASA Technical Reports Server (NTRS)

Yang, C. Y.; Yacaman, M. J.; Heinemann, K.

1979-01-01

Based on the exact crystal structure of decahedral and icosahedral particles, high energy electron diffraction patterns and image profiles have been derived for various high symmetry orientations of the particles with respect to the incident beam. These results form a basis for the identification of small metal particle structures with advanced methods of transmission electron microscopy.

Intermediate-mass Asymptotic Giant Branch Stars and Sources of 26Al, 60Fe, 107Pd, and 182Hf in the Solar System

NASA Astrophysics Data System (ADS)

Wasserburg, G. J.; Karakas, Amanda I.; Lugaro, Maria

2017-02-01

We explore the possibility that the short-lived radionuclides {}26{{A}}l, {}60{{F}}e, {}107{{P}}d, and {}182{{H}}f inferred to be present in the proto-solar cloud originated from 3-8 {M}⊙ asymptotic giant branch (AGB) stars. Models of AGB stars with initial mass above 5 {M}⊙ are prolific producers of {}26{{A}}l owing to hot bottom burning (HBB). In contrast, {}60{{F}}e, {}107{{P}}d, and {}182{{H}}f are produced by neutron captures: {}107{{P}}d and {}182{{H}}f in models ≲ 5 {M}⊙ , and {}60{{F}}e in models with higher mass. We mix stellar yields from solar-metallicity AGB models into a cloud of solar mass and composition to investigate whether it is possible to explain the abundances of the four radioactive nuclides at the Sun’s birth using one single value of the mixing ratio between the AGB yields and the initial cloud material. We find that AGB stars that experience efficient HBB (≥slant 6 {M}⊙ ) cannot provide a solution because they produce too little {}182{{H}}f and {}107{{P}}d relative to {}26{{A}}l and {}60{{F}}e. Lower-mass AGB stars cannot provide a solution because they produce too little {}26{{A}}l relative to {}107{{P}}d and {}182{{H}}f. A self-consistent solution may be found for AGB stars with masses in between (4-5.5 {M}⊙ ), provided that HBB is stronger than in our models and the {}13{{C}}(α, n){}16{{O}} neutron source is mildly activated. If stars of {{M}}< 5.5 {M}⊙ are the source of the radioactive nuclides, then some basis for their existence in proto-solar clouds needs to be explored, given that the stellar lifetimes are longer than the molecular cloud lifetimes.

Medium-range structure and glass forming ability in Zr–Cu–Al bulk metallic glasses

DOE PAGES

Zhang, Pei; Maldonis, Jason J.; Besser, M. F.; ...

2016-03-05

Fluctuation electron microscopy experiments combined with hybrid reverse Monte Carlo modeling show a correlation between medium-range structure at the nanometer scale and glass forming ability in two Zr–Cu–Al bulk metallic glass (BMG) alloys. Both Zr 50Cu 35Al 15 and Zr 50Cu 45Al 5 exhibit two nanoscale structure types, one icosahedral and the other more crystal-like. In Zr 50Cu 35Al 15, the poorer glass former, the crystal-like structure is more stable under annealing below the glass transition temperature, T g, than in Zr 50Cu 45Al 5. Variable resolution fluctuation microscopy of the MRO clusters show that in Zr 50Cu 35Al 15more » on sub-Tg annealing, the crystal-like clusters shrink even as they grow more ordered, while icosahedral-like clusters grow. Furthermore, the results suggest that achieving better glass forming ability in this alloy system may depend more on destabilizing crystal-like structures than enhancing non-crystalline structures.« less

Graphene-cobaltite-Pd hybrid materials for use as efficient bifunctional electrocatalysts in alkaline direct methanol fuel cells.

PubMed

Sharma, Chandra Shekhar; Awasthi, Rahul; Singh, Ravindra Nath; Sinha, Akhoury Sudhir Kumar

2013-12-14

Hybrid materials comprising of Pd, MCo2O4 (where M = Mn, Co or Ni) and graphene have been prepared for use as efficient bifunctional electrocatalysts in alkaline direct methanol fuel cells. Structural and electrochemical characterizations were carried out using X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, chronoamperometry and cyclic, CO stripping, and linear sweep voltammetries. The study revealed that all the three hybrid materials are active for both methanol oxidation (MOR) and oxygen reduction (ORR) reactions in 1 M KOH. However, the Pd-MnCo2O4/GNS hybrid electrode exhibited the greatest MOR and ORR activities. This active hybrid electrode has also outstanding stability under both MOR and ORR conditions, while Pt- and other Pd-based catalysts undergo degradation under similar experimental conditions. The Pd-MnCo2O4/GNS hybrid catalyst exhibited superior ORR activity and stability compared to even Pt in alkaline solutions.

The New Mode of Energy Transferring between Mn2+ and Eu2+ in Nitride Based Phosphor SrAlSi4N7 with Tunable Light and Excellent Thermal Stability.

PubMed

Ding, Jianyan; Seto, Takatoshi; Wang, Yichao; Cao, Yaxin; Li, Hua; Wang, YuHua

2018-06-19

In this work, energy transfers reciprocally between Mn2+ and Eu2+ ions in nitride SrAlSi4N7 have been found and investigated in detailed. In contrast to Mn2+ and Eu2+ activated oxide based phosphors, the red light centering at 608 nm is ascribed to 4f-5d transitions of Eu2+ ions and Mn2+ activated SrAlSi4N7 emits a cyan light peaked at 500 nm. Additionally, the special broad excitation band of SrAlSi4N7: Mn2+ centering at 362 nm has been covered by that of Eu2+ ions ranging from 300 to 550 nm. The overlap of energy level of Mn2+ and Eu2+ ions creates the condition for the energy transferring reciprocally between Eu2+ and Mn2+ ions. A series of SrAlSi4N7: 0.002Mn2+, xEu2+ (0 ≤x≤ 005) with tunable emission light have been synthesized and the decay curves of samples prove the happening of the energy transfer between Mn2+ and Eu2+ ions reciprocally. This mode of energy transfer not only prevents the loss of energy, but also improves the thermal stability and the intensity of SrAlSi4N7: Mn2+, Eu2+ at 150 °C is still beyond 92 % of the initial intensity. The results provide a new mode of energy transfer, which is expected to improve the drawback existing in energy transfer. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fluorescence and afterglow of Ca2Sn2Al2O9:Mn2+

NASA Astrophysics Data System (ADS)

Takemoto, Minoru; Iseki, Takahiro

2018-03-01

By using a polymerized complex method, we synthesized manganese (Mn)-doped Ca2Sn2Al2O9, which exhibits yellow fluorescence and afterglow at room temperature when excited by UV radiation. The material emits a broad, featureless fluorescence band centered at 564 nm, which we attribute to the presence of Mn2+ ions. The afterglow decay is well fit by a power-law function, rather than an exponential function. In addition, thermoluminescence analyses demonstrate that two different types of electron traps form in this material. Based on experimental results, we conclude that the fluorescence and afterglow both result from thermally assisted tunneling, in which trapped electrons are thermally excited to higher-level traps and subsequently tunnel to recombination centers.

Evidence of cross-cutting and redox reaction in Khatyrka meteorite reveals metallic-Al minerals formed in outer space.

PubMed

Lin, Chaney; Hollister, Lincoln S; MacPherson, Glenn J; Bindi, Luca; Ma, Chi; Andronicos, Christopher L; Steinhardt, Paul J

2017-05-09

We report on a fragment of the quasicrystal-bearing CV3 carbonaceous chondrite Khatyrka recovered from fine-grained, clay-rich sediments in the Koryak Mountains, Chukotka (Russia). We show higher melting-point silicate glass cross-cutting lower melting-point Al-Cu-Fe alloys, as well as unambiguous evidence of a reduction-oxidation reaction history between Al-Cu-Fe alloys and silicate melt. The redox reactions involve reduction of FeO and SiO 2 to Fe and Fe-Si metal, and oxidation of metallic Al to Al 2 O 3 , occurring where silicate melt was in contact with Al-Cu-Fe alloys. In the reaction zone, there are metallic Fe and Fe-Si beads, aluminous spinel rinds on the Al-Cu-Fe alloys, and Al 2 O 3 enrichment in the silicate melt surrounding the alloys. From this and other evidence, we demonstrate that Khatyrka must have experienced at least two distinct events: first, an event as early as 4.564 Ga in which the first Al-Cu-Fe alloys formed; and, second, a more recent impact-induced shock in space that led to transformations of and reactions between the alloys and the meteorite matrix. The new evidence firmly establishes that the Al-Cu-Fe alloys (including quasicrystals) formed in outer space in a complex, multi-stage process.

Tempering of Mn and Mn-Si-V dual-phase steels

NASA Astrophysics Data System (ADS)

Speich, G. R.; Schwoeble, A. J.; Huffman, G. P.

1983-06-01

Changes in the yield behavior, strength, and ductility of a Mn and a Mn-Si-V d11Al-phase (ferrite-martensite) steel were investigated after tempering one hour at 200 to 600 °C. The change in yield behavior was complex in both steels with the yield strength first increasing and then decreasing as the tempering temperature was increased. This complex behavior is attributed to a combination of factors including carbon segregation to dislocations, a return of discontinuous yielding, and the relief of resid11Al stresses. In contrast, the tensile strength decreased continuously as the tempering temperature was increased in a manner that could be predicted from the change in hardness of the martensite phase using a simple composite strengthening model. The initial tensile ductility (total elongation) of the Mn-Si-V steel was much greater than that of the Mn steel. However, upon tempering up to 400 °C, the ductility of the Mn-Si-V decreased whereas that of the Mn steel increased. As a result, both steels had similar ductilities after tempering at 400 °C or higher temperatures. These results are attributed to the larger amounts of retained austenite in the Mn-Si-V steel (9 pct) compared to the Mn steel (3 pct) and its contribution to tensile ductility by transforming to martensite during plastic straining. Upon tempering at 400 °C, the retained austenite decomposes to bainite and its contribution to tensile ductility is eliminated.

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

NASA Astrophysics Data System (ADS)

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

2014-12-01

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

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

Antiferromagnetic order and the structural order-disorder transition in the Cd6Ho quasicrystal approximant

NASA Astrophysics Data System (ADS)

Kreyssig, Andreas; Beutier, Guillaume; Hiroto, Takanobu; Kim, Min Gyu; Tucker, Gregory S.; de Boissieu, Marc; Tamura, Ryuji; Goldman, Alan I.

2013-09-01

It has generally been accepted that the orientational ordering of the Cd4 tetrahedron within the Cd6 R quasicrystal approximants is kinetically inhibited for R = Ho, Er, Tm and Lu by steric constraints. Our high-resolution X-ray scattering measurements of the Cd6Ho quasicrystal approximant, however, reveal an abrupt (first-order) transition to a monoclinic structure below T S = 178 K for samples that have 'aged' at room temperature for approximately one year, reopening this question. Using X-ray resonant magnetic scattering at the Ho L 3-edge we have elucidated the nature of the antiferromagnetic ordering below T N = 8.5 K in Cd6Ho. The magnetic Bragg peaks are found at the charge forbidden H + K + L = 2n + 1 positions, referenced to the high-temperature body-centred cubic structure. In general terms, this corresponds to antiferromagnetic arrangements of the Ho moments on adjacent clusters in the unit cell as previously found for Cd6Tb.

Plasma-Sprayed High Entropy Alloys: Microstructure and Properties of AlCoCrFeNi and MnCoCrFeNi

NASA Astrophysics Data System (ADS)

Ang, Andrew Siao Ming; Berndt, Christopher C.; Sesso, Mitchell L.; Anupam, Ameey; S, Praveen; Kottada, Ravi Sankar; Murty, B. S.

2015-02-01

High entropy alloys (HEAs) represent a new class of materials that present novel phase structures and properties. Apart from bulk material consolidation methods such as casting and sintering, HEAs can also be deposited as a surface coating. In this work, thermal sprayed HEA coatings are investigated that may be used as an alternative bond coat material for a thermal barrier coating system. Nanostructured HEAs that were based on AlCoCrFeNi and MnCoCrFeNi were prepared by ball milling and then plasma sprayed. Splat studies were assessed to optimise the appropriate thermal spray parameters and spray deposits were prepared. After mechanical alloying, aluminum-based and manganese-based HEA powders revealed contrary prominences of BCC and FCC phases in their X-ray diffraction patterns. However, FCC phase was observed as the major phase present in both of the plasma-sprayed AlCoCrFeNi and MnCoCrFeNi coatings. There were also minor oxide peaks detected, which can be attributed to the high temperature processing. The measured porosity levels for AlCoCrFeNi and MnCoCrFeNi coatings were 9.5 ± 2.3 and 7.4 ± 1.3 pct, respectively. Three distinct phase contrasts, dark gray, light gray and white, were observed in the SEM images, with the white regions corresponding to retained multicomponent HEAs. The Vickers hardness (HV0.3kgf) was 4.13 ± 0.43 and 4.42 ± 0.60 GPa for AlCoCrFeNi and MnCoCrFeNi, respectively. Both type of HEAs coatings exhibited anisotropic mechanical behavior due to their lamellar, composite-type microstructure.

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

NASA Technical Reports Server (NTRS)

Kelton, K. F.; Croat, T. K.; Gangopadhyay, A.; Holland-Moritz, D.; Hyers, Robert W.; Rathz, Thomas J.; Robinson, Michael B.; Rogers, Jan R.

2001-01-01

Undercooling experiments and thermal physical property measurements of metallic alloys on the International Space Station (ISS) are planned. This recently-funded research focuses on fundamental issues of the formation and structure of highly-ordered non-crystallographic phases (quasicrystals) and related crystal phases (crystal approximants), and the connections between the atomic structures of these phases and those of liquids and glasses. It extends studies made previously by us of the composition dependence of crystal nucleation processes in silicate and metallic glasses, to the case of nucleation from the liquid phase. Motivating results from rf-levitation and drop-tube measurements of the undercooling of Ti/Zr-based liquids that form quasicrystals and crystal approximants are discussed. Preliminary measurements by electrostatic levitation (ESL) are presented.

Ab initio molecular dynamics simulations of short-range order in Zr 50Cu 45Al 5 and Cu 50Zr 45Al 5 metallic glasses

DOE PAGES

Huang, Yuxiang; Huang, Li; Wang, C. Z.; ...

2016-02-01

Comparative analysis between Zr-rich Zr 50Cu 45Al 5 and Cu-rich Cu 50Zr 45Al 5 metallic glasses (MGs) is extensively performed to locate the key structural motifs accounting for their difference of glass forming ability. Here we adopt ab initio molecular dynamics simulations to investigate the local atomic structures of Zr 50Cu 45Al 5 and Cu 50Zr 45Al 5 MGs. A high content of icosahedral-related (full and distorted) orders was found in both samples, while in the Zr-rich MG full icosahedrons < 0,0,12,0 > is dominant, and in the Cu-rich one the distorted icosahedral orders, especially < 0,2,8,2 > and , are prominent. And the < 0,2,8,2 > polyhedra in Cu 50Zr 45Al 5 MG mainly originate from Al-centered clusters, while the < 0,0,12,0 > in Zr 50Cu 45Al 5 derives from both Cu-centered clusters and Al-centered clusters. These difference may be ascribed to the atomic size difference and chemical property between Cu and Zr atoms. Lastly, the relatively large size of Zr and large negative heat of mixing between Zr and Al atoms, enhancing the packing density and stability of metallic glass system, may be responsible for the higher glass forming ability of Zr 50Cu 45Al 5.« less

Cooperative Formation of Icosahedral Proline Clusters from Dimers

NASA Astrophysics Data System (ADS)

Jacobs, Alexander D.; Jovan Jose, K. V.; Horness, Rachel; Raghavachari, Krishnan; Thielges, Megan C.; Clemmer, David E.

2018-01-01

Ion mobility spectrometry-mass spectrometry and Fourier transform infrared spectroscopy (FTIR) techniques were combined with quantum chemical calculations to examine the origin of icosahedral clusters of the amino acid proline. When enantiopure proline solutions are electrosprayed (using nanospray) from 100 mM ammonium acetate, only three peaks are observed in the mass spectrum across a concentration range of five orders of magnitude: a monomer [Pro+H]+ species, favored from 0.001 to 0.01 mM proline concentrations; a dimer [2Pro+H]+ species, the most abundant species for proline concentrations above 0.01 mM; and, the dimer and dodecamer [12Pro+2H]2+ for 1.0 mM and more concentrated proline solutions. Electrospraying racemic D/ L-proline solutions from 100 mM ammonium acetate leads to a monomer at low proline concentrations (0.001 to 0.1 mM), and a dimer at higher concentrations (>0.09 mM), as well as a very small population of 8 to 15 Pro clusters that comprise <0.1% of the total ion signals even at the highest proline concentration. Solution FTIR studies show unique features that increase in intensity in the enantiopure proline solutions, consistent with clustering, presumably from the icosahedral geometry in bulk solution. When normalized for the total proline, these results are indicative of a cooperative formation of the enantiopure 12Pro species from 2Pro. [Figure not available: see fulltext.

Nonhydrostatic icosahedral atmospheric model (NICAM) for global cloud resolving simulations

NASA Astrophysics Data System (ADS)

Satoh, M.; Matsuno, T.; Tomita, H.; Miura, H.; Nasuno, T.; Iga, S.

2008-03-01

A new type of ultra-high resolution atmospheric global circulation model is developed. The new model is designed to perform "cloud resolving simulations" by directly calculating deep convection and meso-scale circulations, which play key roles not only in the tropical circulations but in the global circulations of the atmosphere. Since cores of deep convection have a few km in horizontal size, they have not directly been resolved by existing atmospheric general circulation models (AGCMs). In order to drastically enhance horizontal resolution, a new framework of a global atmospheric model is required; we adopted nonhydrostatic governing equations and icosahedral grids to the new model, and call it Nonhydrostatic ICosahedral Atmospheric Model (NICAM). In this article, we review governing equations and numerical techniques employed, and present the results from the unique 3.5-km mesh global experiments—with O(10 9) computational nodes—using realistic topography and land/ocean surface thermal forcing. The results show realistic behaviors of multi-scale convective systems in the tropics, which have not been captured by AGCMs. We also argue future perspective of the roles of the new model in the next generation atmospheric sciences.

Simulations of polymorphic icosahedral shells assembling around many cargo molecules

NASA Astrophysics Data System (ADS)

Mohajerani, Farzaneh; Perlmutter, Jason; Hagan, Michael

Bacterial microcompartments (BMCs) are large icosahedral shells that sequester the enzymes and reactants responsible for particular metabolic pathways in bacteria. Although different BMCs vary in size and encapsulate different cargoes, they are constructed from similar pentameric and hexameric shell proteins. Despite recent groundbreaking experiments which visualized the formation of individual BMCs, the detailed assembly pathways and the factors which control shell size remain unclear. In this talk, we describe theoretical and computational models that describe the dynamical encapsulation of hundreds of cargo molecules by self-assembling icosahedral shells. We present phase diagrams and analysis of dynamical simulation trajectories showing how the thermodynamics, assembly pathways, and emergent structures depend on the interactions among shell proteins and cargo molecules. Our model suggests a mechanism for controlling insertion of the 12 pentamers required for a closed shell topology, and the relationship between assembly pathway and BMC size polydispersity. In addition to elucidating how native BMCs assemble,our results establish principles for reengineering BMCs or viral capsids as customizable nanoreactors that can assemble around a programmable set of enzymes and reactants. Supported by NIH R01GM108021 and Brandeis MRSEC DMR-1420382.

Interactions among K+-Ca2+ exchange, sorption of m-dinitrobenzene, and smectite quasicrystal dynamics.

PubMed

Chatterjee, Ritushree; Laird, David A; Thompson, Michael L

2008-12-15

The fate of organic contaminants in soils and sediments is influenced by sorption of the compounds to surfaces of soil materials. We investigated the interaction among sorption of an organic compound, cation exchange reactions, and both the size and swelling of smectite quasicrystals. Two reference smectites that vary in location and amount of layer charge, SPV (a Wyoming bentonite) and SAz-1 were initially Ca- and K-saturated and then equilibrated with mixed 0.01 M KCl and 0.005 M CaCl2 salt solutions both with and without the presence of 200 mg L(-1) m-dinitrobenzene (m-DNB). In general, sorption of m-DNB increased with the amount of K+ in the system for both clays, and the SPV sorbed more m-DNB than the SAz-1. Sorption of m-DNB increased the preference of Ca-SPV for K+ relative to Ca2+ but had little effect on K+-Ca2+ selectivity for K-SPV. Selectivity for K+ relative to Ca2+ was slightly higher for both K-SAz-1 and Ca-SAz-1 in the presence of m-DNB than in its absence. Distinct hysteresis loops were observed for the K+-Ca2+ cation exchange reactions for both clays, and the legacy of having been initially Ca- or K-saturated influenced sorption of m-DNB by SPV but had little effect for SAz-1. Suspension X-ray diffraction was used to measure changes in d-spacing and the relative thickness of smectite quasicrystals during the cation exchange and m-DNB sorption reactions. The results suggest that interactions among cation exchange and organic sorption reactions are controlled byan inherently hysteretic complex feedback process that is regulated by changes in the size and extent of swelling of smectite quasicrystals.

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.

White LED based on CaAl2Si2O8:Eu2+ Mn2+ phosphor and CdS/ZnS quantum dots

NASA Astrophysics Data System (ADS)

Shen, Changyu; Zhong, Chuan; Hou, Qianglong; Li, Ke

2011-02-01

Core/shell CdS/ZnS quantum dots (QDs) with the emission wavelength of 610nm, was synthesized by thermal deposition using cadmium oxide and selenium as precursors in a hot lauric acid and hexadecylamine trioctylphosphine oxide hybrid. CaAl2Si2O8:Eu2+ Mn2+ phosphor was synthesized by high-temperature solid state reaction at 1290 °C for 2 hours under the H2 reducing atmosphere, and X-ray powder diffraction analysis confirmed the formation of it. It has two emission bands peaking at 420 nm and 580nm originated from the transition 5d to 4f of Eu2+ and 4T1-6A1 of Mn2+, respectively. Blends of CaAl2Si2O8:Eu2+,Mn2+ phosphor and CdS/ZnS QDs exhibited the prominent spectral evolution with an increasing content of QDs. A hybrid white LED, which combines a blue LED with the blend of CaAl2Si2O8:Eu2+ Mn2+ phosphor and QDs with a weight ratio of 2:1, with the CIE coordinate of (0.3183, 0.3036) and CRI of 85 was obtained.

Effect of Mn on the Formation of Oxide Buildups Upon HVOF-Sprayed MCrAlY-Ceramic-Type Cermet Coatings

NASA Astrophysics Data System (ADS)

Huang, Tsai-Shang

2011-03-01

Thermal spray coatings have been widely used on hearth rolls in a continuous annealing line to improve steel sheet quality and to prolong the roll service life. One of the common defects formed on a working hearth roll is the oxide buildup. HVOF-sprayed CoCrAlY-CrB2-Y2O3 coating was used in this study to duplicate buildups by reacting with Fe and Mn oxides. The reaction was performed in a furnace at 900 °C with inert gases flowing through. After reacting for 8 days, large Mn-rich buildups were formed on the coating while the buildups without Mn were very small. Mn was shown to enhance the formation of buildups. Buildups from a hearth roll were also examined and compared with the laboratory ones.

Analysis of phases in the structure determination of an icosahedral virus

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

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

2012-03-15

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

Analysis of phases in the structure determination of an icosahedral virus

PubMed Central

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

2011-01-01

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

Crystal electric field excitations in the quasicrystal approximant TbCd6 studied by inelastic neutron scattering

NASA Astrophysics Data System (ADS)

Das, Pinaki; Lory, P.-F.; Flint, R.; Kong, T.; Hiroto, T.; Bud'ko, S. L.; Canfield, P. C.; de Boissieu, M.; Kreyssig, A.; Goldman, A. I.

2017-02-01

We have performed inelastic neutron scattering measurements on powder samples of the quasicrystal approximant, TbCd6, grown using isotopically enriched 112Cd. Both quasielastic scattering and distinct inelastic excitations were observed below 3 meV. The intensity of the quasielastic scattering measured in the paramagnetic phase diverges as TN˜22 K is approached from above. The inelastic excitations, and their evolution with temperature, are well characterized by the leading term, B20O20 , of the crystal electric field (CEF) level scheme for local pentagonal symmetry for the rare-earth ions [S. Jazbec et al., Phys. Rev. B 93, 054208 (2016), 10.1103/PhysRevB.93.054208] indicating that the Tb moment is directed primarily along the unique local pseudofivefold axis of the Tsai-type clusters. We also find good agreement between the inverse susceptibility determined from magnetization measurements using a magnetically diluted Tb0.05Y0.95Cd6 sample and that calculated using the CEF level scheme determined from the neutron measurements.

White long-lasting phosphorescence generation in a CaAl2Si2O8 : Eu2+, Mn2+, Dy3+ system through persistent energy transfer

NASA Astrophysics Data System (ADS)

Zhang, Jinsu; Chen, Baojiu; Sun, Jiashi; Li, Xiangping; Cheng, Lihong; Zhong, Haiyang

2012-08-01

Based on the persistent energy transfer principle, Mn2+ was introduced into a CaAl2Si2O8 : Eu2+/Dy3+ phosphor to achieve white long-lasting emissions. Eu2+, Mn2+ and Dy3+ tri-doped CaAl2Si2O8 phosphors with various Mn2+ concentrations were prepared via a solid-state reaction, and the crystal structure of the phosphors was identified by the x-ray diffraction technique. The luminescent properties of the Eu2+, Mn2+ and Dy3+ tri-doped CaAl2Si2O8 phosphors were studied. The energy transfer behaviour from Eu2+ to Mn2+ was analysed within the framework of Dexter theory. The physical mechanism of energy transfer was assigned to the electric dipole-quadrupole interaction. It was also demonstrated that the colour coordinates of the phosphors can be tuned from the blue region to the white region in the colour space. Furthermore, the afterglow decay and thermoluminescence curves were measured, indicating excellent phosphorescence properties of the current phosphors.

Prediction of a magnetic Weyl semimetal without spin-orbit coupling and strong anomalous Hall effect in the Heusler compensated ferrimagnet Ti2MnAl

NASA Astrophysics Data System (ADS)

Shi, Wujun; Muechler, Lukas; Manna, Kaustuv; Zhang, Yang; Koepernik, Klaus; Car, Roberto; van den Brink, Jeroen; Felser, Claudia; Sun, Yan

2018-02-01

We predict a magnetic Weyl semimetal in the inverse Heusler Ti2MnAl , a compensated ferrimagnet with a vanishing net magnetic moment and a Curie temperature of over 650 K. Despite the vanishing net magnetic moment, we calculate a large intrinsic anomalous Hall effect (AHE) of about 300 S/cm. It derives from the Berry curvature distribution of the Weyl points, which are only 14 meV away from the Fermi level and isolated from trivial bands. Different from antiferromagnets Mn3X (X =Ge , Sn, Ga, Ir, Rh, and Pt), where the AHE originates from the noncollinear magnetic structure, the AHE in Ti2MnAl stems directly from the Weyl points and is topologically protected. The large anomalous Hall conductivity (AHC) together with a low charge carrier concentration should give rise to a large anomalous Hall angle. In contrast to the Co-based ferromagnetic Heusler compounds, the Weyl nodes in Ti2MnAl do not derive from nodal lines due to the lack of mirror symmetries in the inverse Heusler structure. Since the magnetic structure breaks spin-rotation symmetry, the Weyl nodes are stable without SOC. Moreover, because of the large separation between Weyl points of opposite topological charge, the Fermi arcs extent up to 75 % of the reciprocal lattice vectors in length. This makes Ti2MnAl an excellent candidate for the comprehensive study of magnetic Weyl semimetals. It is the first example of a material with Weyl points, large anomalous Hall effect, and angle despite a vanishing net magnetic moment.

Crystallography of decahedral and icosahedral particles. I - Geometry of twinning

NASA Technical Reports Server (NTRS)

Yang, C. Y.

1979-01-01

The crystal structure of the tetrahedral twins in multiply-twinned particles with decahedral and icosahedral point group symmetries has been examined and correlated with the face-centered cubic structure. Details on the crystal structure as well as the geometrical relationships among twins in each particle are presented. These crystallographic facts serve as a basis for the interpretation of small particle images obtained with advanced methods of transmission electron microscopy.

Synthesis of Supported Pd 0 Nanoparticles from a Single-Site Pd 2+ Surface Complex by Alkene Reduction

DOE PAGES

Mouat, Aidan R.; Whitford, Cassandra L.; Chen, Bor-Rong; ...

2018-02-02

Here, a surface metal–organic complex, (-AlO x)Pd(acac) (acac = acetylacetonate), is prepared by chemically grafting the precursor Pd(acac) 2 onto γ-Al 2O 3 in toluene at 25 °C. The resulting surface complex is characterized by inductively coupled plasma atomic emission spectroscopy (ICP-AES), X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XAS), and dynamic nuclear polarization surface-enhanced solid-state nuclear magnetic resonance spectroscopy (DNP SENS). This surface complex is a precursor in the direct synthesis of size-controlled Pd nanoparticles under mild reductive conditions and in the absence of additional stabilizers or pretreatments. Indeed, upon exposure to gaseous ethylene or liquid 1-octene at 25more » °C, the Pd 2+ species is reduced to form Pd 0 nanoparticles with a mean diameter of 4.3 ± 0.6 nm, as determined by scanning transmission electron microscopy (STEM). These nanoparticles are catalytically relevant using the aerobic 1-phenylethanol oxidation as a probe reaction, with rates comparable to a conventional Pd/Al 2O 3 catalyst but without an induction period. Diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and temperature-programmed reaction mass spectrometry (TPR-MS) reveal that the surface complex reduction with ethylene coproduces H 2, acetylene, and 1,3-butadiene. This process reasonably proceeds via an olefin activation/coordination/insertion pathway, followed by β-hydride elimination to generate free Pd 0. Lastly, the well-defined nature of the single-site supported Pd 2+ precursor provides direct mechanistic insights into this unusual and likely general reductive process.« less

Synthesis of Supported Pd 0 Nanoparticles from a Single-Site Pd 2+ Surface Complex by Alkene Reduction

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

Mouat, Aidan R.; Whitford, Cassandra L.; Chen, Bor-Rong

Here, a surface metal–organic complex, (-AlO x)Pd(acac) (acac = acetylacetonate), is prepared by chemically grafting the precursor Pd(acac) 2 onto γ-Al 2O 3 in toluene at 25 °C. The resulting surface complex is characterized by inductively coupled plasma atomic emission spectroscopy (ICP-AES), X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XAS), and dynamic nuclear polarization surface-enhanced solid-state nuclear magnetic resonance spectroscopy (DNP SENS). This surface complex is a precursor in the direct synthesis of size-controlled Pd nanoparticles under mild reductive conditions and in the absence of additional stabilizers or pretreatments. Indeed, upon exposure to gaseous ethylene or liquid 1-octene at 25more » °C, the Pd 2+ species is reduced to form Pd 0 nanoparticles with a mean diameter of 4.3 ± 0.6 nm, as determined by scanning transmission electron microscopy (STEM). These nanoparticles are catalytically relevant using the aerobic 1-phenylethanol oxidation as a probe reaction, with rates comparable to a conventional Pd/Al 2O 3 catalyst but without an induction period. Diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and temperature-programmed reaction mass spectrometry (TPR-MS) reveal that the surface complex reduction with ethylene coproduces H 2, acetylene, and 1,3-butadiene. This process reasonably proceeds via an olefin activation/coordination/insertion pathway, followed by β-hydride elimination to generate free Pd 0. Lastly, the well-defined nature of the single-site supported Pd 2+ precursor provides direct mechanistic insights into this unusual and likely general reductive process.« less

Surface topography and roughness of high-speed milled AlMn1Cu

NASA Astrophysics Data System (ADS)

Wang, Zhenhua; Yuan, Juntang; Yin, Zengbin; Hu, Xiaoqiu

2016-10-01

The aluminum alloy AlMn1Cu has been broadly applied for functional parts production because of its good properties. But few researches about the machining mechanism and the surface roughness were reported. The high-speed milling experiments are carried out in order to improve the machining quality and reveal the machining mechanism. The typical topography features of machined surface are observed by scan electron microscope(SEM). The results show that the milled surface topography is mainly characterized by the plastic shearing deformation surface and material piling zone. The material flows plastically along the end cutting edge of the flat-end milling tool and meanwhile is extruded by the end cutting edge, resulting in that materials partly adhere to the machined surface and form the material piling zone. As the depth of cut and the feed per tooth increase, the plastic flow of materials is strengthened and the machined surface becomes rougher. However, as the cutting speed increases, the plastic flow of materials is weakened and the milled surface becomes smoother. The cutting parameters (e.g. cutting speed, feed per tooth and depth of cut) influencing the surface roughness are analyzed. It can be concluded that the roughness of the machined surface formed by the end cutting edge is less than that by the cylindrical cutting edge when a cylindrical flat-end mill tool is used for milling. The proposed research provides the typical topography features of machined surface of the anti-rust aluminum alloy AlMn1Cu in high speed milling.

Co-Precipitation Synthesis and Optical Properties of Mn4+-Doped Hexafluoroaluminate w-LED Phosphors

PubMed Central

Geitenbeek, Robin G.; Meijerink, Andries

2017-01-01

Mn4+-activated hexafluoroaluminates are promising red-emitting phosphors for white light emitting diodes (w-LEDs). Here, we report the synthesis of Na3AlF6:Mn4+, K3AlF6:Mn4+ and K2NaAlF6:Mn4+ phosphors through a simple two-step co-precipitation method. Highly monodisperse large (~20 μm) smoothed-octahedron shaped crystallites are obtained for K2NaAlF6:Mn4+. The large size, regular shape and small size distribution are favorable for application in w-LEDs. All Mn4+-doped hexafluoroaluminates show bright red Mn4+ luminescence under blue light excitation. We compare the optical properties of Na3AlF6:Mn4+, K3AlF6:Mn4+ and K2NaAlF6:Mn4+ at room temperature and 4 K. The luminescence measurements reveal that multiple Mn4+ sites exist in M3AlF6:Mn4+ (M = Na, K), which is explained by the charge compensation that is required for Mn4+ on Al3+ sites. Thermal cycling experiments show that the site distribution changes after annealing. Finally, we investigate thermal quenching and show that the luminescence quenching temperature is high, around 460–490 K, which makes these Mn4+-doped hexafluoroaluminates interesting red phosphors for w-LEDs. The new insights reported on the synthesis and optical properties of Mn4+ in the chemically and thermally stable hexafluoroaluminates can contribute to the optimization of red-emitting Mn4+ phosphors for w-LEDs. PMID:29149083

A Vertically Flow-Following, Icosahedral Grid Model for Medium-Range and Seasonal Prediction. Part 1: Model Description

NASA Technical Reports Server (NTRS)

Bleck, Rainer; Bao, Jian-Wen; Benjamin, Stanley G.; Brown, John M.; Fiorino, Michael; Henderson, Thomas B.; Lee, Jin-Luen; MacDonald, Alexander E.; Madden, Paul; Middlecoff, Jacques;

Development of a genetic system for the archaeal virus Sulfolobus turreted icosahedral virus (STIV).

PubMed

Wirth, Jennifer Fulton; Snyder, Jamie C; Hochstein, Rebecca A; Ortmann, Alice C; Willits, Deborah A; Douglas, Trevor; Young, Mark J

2011-06-20

Our understanding of archaeal viruses has been limited by the lack of genetic systems for examining viral function. We describe the construction of an infectious clone for the archaeal virus Sulfolobus turreted icosahedral virus (STIV). STIV was isolated from a high temperature (82°C) acidic (pH 2.2) hot spring in Yellowstone National Park and replicates in the archaeal model organism Sulfolobus solfataricus (Rice et al., 2004). While STIV is one of most studied archaeal viruses, little is known about its replication cycle. The development of an STIV infectious clone allows for directed gene disruptions and detailed genetic analysis of the virus. The utility of the STIV infectious clone was demonstrated by gene disruption of STIV open reading frame (ORF) B116 which resulted in crippled virus replication, while disruption of ORFs A197, C381 and B345 was lethal for virus replication. Copyright © 2011. Published by Elsevier Inc.

Towards physical implementation of an optical add-drop multiplexer (OADM) based upon properties of 12-fold photonic quasicrystals

NASA Astrophysics Data System (ADS)

Gauthier, Robert C.; Mnaymneh, Khaled

2005-09-01

The key feature that gives photonic crystals (PhCs) their ability to form photonic band gaps (PBGs) analogous to electronic band gaps of semiconductors is their translation symmetries. In recent years, however, it has been found that structures that possess only rotational symmetries can also have PBGs. In addition, these structures, known as Photonic Quasicrystals (PhQs), have other interesting qualities that set them apart of their translational cousins. One interesting feature is how defect states can be created in PhQs. If the rotational symmetry is disturbed, defect states analogous to defects states that are created in PhCs can be obtained. Simulation results of these defect states and other propagation properties of planar 12-fold photonic quasicrystal patterns, and its physical implementations in Silicon-On-Insulator (SOI) are presented. The main mechanisms required to make any optical multiplexing system is propagation; stop bands and add/drop ports. With the rotationally symmetry of the PhQ causing the stop bands, line defects facilitating propagation and now these specially design defect states acting as add/drop ports, a physical implementation of an OADM can be presented. Theoretical, practical and manufacturing benefits of PhQs are discussed. Simulated transmission plots are shown for various fill factors, dielectric contrast and propagation direction. It is shown that low index waveguides can be produced using the quasi-crystal photonic crystal pattern. Fabrication steps and results are shown.

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

PubMed

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

2011-06-01

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

Twin defects engineered Pd cocatalyst on C3N4 nanosheets for enhanced photocatalytic performance in CO2 reduction reaction

NASA Astrophysics Data System (ADS)

Lang, Qingqing; Hu, Wenli; Zhou, Penghui; Huang, Tianlong; Zhong, Shuxian; Yang, Lining; Chen, Jianrong; Bai, Song

2017-12-01

Photocatalytic conversion of CO2 to value-added chemicals, a potential route to addressing the depletion of fossil fuels and anthropogenic climate change, is greatly limited by the low-efficient semiconductor photocatalyst. The integration of cocatalyst with light-harvesting semiconductor is a promising approach to enhancing the photocatalytic performance in CO2 reduction reaction. The enhancement is greatly determined by the catalytic active sites on the surface of cocatalyst. Herein, we demonstrate that the photocatalytic performance in the CO2 reduction reaction is greatly promoted by twin defects engineered Pd cocatalyst. In this work, Pd nanoicosahedrons with twin defects were in situ grown on C3N4 nanosheets, which effectively improve the photocatalytic performance in reduction of CO2 to CO and CH4 in comparison with Pd nanotetrahedrons without twin defects. It is proposed that the twin boundary (TB) terminations on the surface of Pd cocatalysts are highly catalytic active sites for CO2 reduction reaction. Based on the proposed mechanism, the photocatalytic activity and selectivity in CO2 reduction were further advanced through reducing the size of Pd icosahedral cocatalyst resulted from the increased surface density of TB terminations. The defect engineering on the surface of cocatalyst represents a novel route in realizing high-performance photocatalytic applications.

Twin defects engineered Pd cocatalyst on C3N4 nanosheets for enhanced photocatalytic performance in CO2 reduction reaction.

PubMed

Lang, Qingqing; Hu, Wenli; Zhou, Penghui; Huang, Tianlong; Zhong, Shuxian; Yang, Lining; Chen, Jianrong; Bai, Song

2017-12-01

Photocatalytic conversion of CO 2 to value-added chemicals, a potential route to addressing the depletion of fossil fuels and anthropogenic climate change, is greatly limited by the low-efficient semiconductor photocatalyst. The integration of cocatalyst with light-harvesting semiconductor is a promising approach to enhancing the photocatalytic performance in CO 2 reduction reaction. The enhancement is greatly determined by the catalytic active sites on the surface of cocatalyst. Herein, we demonstrate that the photocatalytic performance in the CO 2 reduction reaction is greatly promoted by twin defects engineered Pd cocatalyst. In this work, Pd nanoicosahedrons with twin defects were in situ grown on C 3 N 4 nanosheets, which effectively improve the photocatalytic performance in reduction of CO 2 to CO and CH 4 in comparison with Pd nanotetrahedrons without twin defects. It is proposed that the twin boundary (TB) terminations on the surface of Pd cocatalysts are highly catalytic active sites for CO 2 reduction reaction. Based on the proposed mechanism, the photocatalytic activity and selectivity in CO 2 reduction were further advanced through reducing the size of Pd icosahedral cocatalyst resulted from the increased surface density of TB terminations. The defect engineering on the surface of cocatalyst represents a novel route in realizing high-performance photocatalytic applications.

Coating effect of LiFePO4 and Al2O3 on Li1.2Mn0.54Ni0.13Co0.13O2 cathode surface for lithium ion batteries

NASA Astrophysics Data System (ADS)

Seteni, Bonani; Rapulenyane, Nomasonto; Ngila, Jane Catherine; Mpelane, Siyasanga; Luo, Hongze

2017-06-01

Lithium-manganese-rich cathode material Li1.2Mn0.54Ni0.13Co0.13O2 is prepared by combustion method, and then coated with nano-sized LiFePO4 and nano-sized Al2O3 particles via a wet chemical process. The as-prepared Li1.2Mn0.54Ni0.13Co0.13O2, LiFePO4-coated Li1.2Mn0.54Ni0.13Co0.13O2 and Al2O3-coated Li1.2Mn0.54Ni0.13Co0.13O2 are characterized by X-ray diffraction, scanning electron microscopy and transmission electron microscopy. The scanning electron microscopy shows the agglomeration of the materials and their nanoparticle size ∼100 nm. The transmission electron microscopy confirms that LiFePO4 forms a rough mat-like surface and Al2O3 remain as islandic particles on the surface of the Li1.2Mn0.54Ni0.13Co0.13O2 material. The Li1.2Mn0.54Ni0.13Co0.13O2 coated with LiFePO4 and Li1.2Mn0.54Ni0.13Co0.13O2 coated with Al2O3 exhibits improved electrochemical performance. The initial discharge capacity is enhanced to 267 mAhg-1 after the LiFePO4 coating and 285 mAhg-1 after the Al2O3 coating compared to the as-prepared Li1.2Mn0.54Ni0.13Co0.13O2 material that has an initial discharge capacity of 243 mAhg-1. Galvanostatic charge-discharge tests at C/10 display longer activation of Li2MnO3 phase and higher capacity retention of 88% after 20 cycles for Li1.2Mn0.54Ni0.13Co0.13O2-LiFePO4 compared to Li1.2Mn0.54Ni0.13Co0.13O2-Al2O3 of 80% after 20 cycles and LMNC of 80% after 20 cycles. Meanwhile Li1.2Mn0.54Ni0.13Co0.13O2-LiFePO4 also shows higher rate capability compared to Li1.2Mn0.54Ni0.13Co0.13O2-Al2O3.

Elucidation of structure and nature of the PdO-Pd transformation using in situ PDF and XAS techniques.

PubMed

Keating, Jonathan; Sankar, Gopinathan; Hyde, Timothy I; Kohara, Shinji; Ohara, Koji

2013-06-14

The PdO-Pd phase transformation in a 4 wt% Pd/Al2O3 catalyst has been investigated using in situ X-ray absorption spectroscopy (XAS) and in situ X-ray total scattering (also known as high-energy X-ray diffraction) techniques. Both the partial and total pair distribution functions (PDF) from these respective techniques have been analysed in depth. New information from PDF analysis of total scattering data has been garnered using the differential PDF (d-PDF) approach where only correlations orginating from PdO and metallic Pd are extracted. This method circumvents problems encountered in characerising the catalytically active components due to the diffuse scattering from the disordered γ-Al2O3 support phase. Quantitative analysis of the palladium components within the catalyst allowed for the phase composition to be established at various temperatures. Above 850 °C it was found that PdO had converted to metallic Pd, however, the extent of reduction was of the order ca. 70% Pd metal and 30% PdO. Complementary in situ XANES and EXAFS were performed, with heating to high temperature and subsequent cooling in air, and the results of the analyses support the observations, that residual PdO is detected at elevated temperatures. Hysteresis in the transformation upon cooling is confirmed from XAS studies where reoxidation occurs below 680 °C.

Antiferromagnetism in semiconducting SrMn2Sb2 and BaMn2Sb2 single crystals

NASA Astrophysics Data System (ADS)

Sangeetha, N. S.; Smetana, V.; Mudring, A.-V.; Johnston, D. C.

2018-01-01

Crystals of SrMn2Sb2 and BaMn2Sb2 were grown using Sn flux and characterized by powder and single-crystal x-ray diffraction, respectively, and by single-crystal electrical resistivity ρ , heat capacity Cp, and magnetic susceptibility χ measurements versus temperature T , and magnetization versus field M (H ) isotherm measurements. SrMn2Sb2 adopts the trigonal CaAl2Si2 -type structure, whereas BaMn2Sb2 crystallizes in the tetragonal ThCr2Si2 -type structure. The ρ (T ) data indicate semiconducting behaviors for both compounds with activation energies of ≳0.35 eV for SrMn2Sb2 and 0.16 eV for BaMn2Sb2 . The χ (T ) and Cp(T ) data reveal antiferromagnetic (AFM) ordering at TN = 110 K for SrMn2Sb2 and 450 K for BaMn2Sb2 . The anisotropic χ (T ≤TN) data also show that the ordered moments in SrMn2Sb2 are aligned in the hexagonal a b plane, whereas the ordered moments in BaMn2Sb2 are aligned collinearly along the tetragonal c axis. The a b -plane M (H ) data for SrMn2Sb2 exhibit a continuous metamagnetic transition at low fields 0 Mn2Sb2 exhibits no metamagnetic transitions up to 5.5 T. The χ (T ) and C p(T ) data for both SrMn2Sb2 and BaMn2Sb2 indicate strong dynamic short-range AFM correlations above their respective TN up to at least 900 K within a local-moment picture, corresponding to quasi-two-dimensional magnetic behavior. The present results and a survey of the literature for Mn pnictides with the CaAl2Si2 and ThCr2Si2 crystal structures show that the TN values for the CaAl2Si2 -type compounds are much smaller than those for the ThCr2Si2 -type materials.

Correlation of Mechanical Properties in Bulk Metallic Glasses with 27Al NMR Characteristics

DTIC Science & Technology

2011-12-01