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

Cooperative Jahn-Teller phase transition of icosahedral molecular units

NASA Astrophysics Data System (ADS)

Nasrollahi, Seyed H.; Vvedensky, Dimitri D.

2017-02-01

Non-linear molecules undergo distortions when the orbital degeneracy of the highest occupied level is lifted by the Jahn-Teller effect. If such molecules or clusters of atoms are coupled to one another, the system may experience a cooperative Jahn-Teller effect (CJTE). In this paper, we describe a model of how the CJTE leads to the crystallization of the disordered phase. The model Hamiltonian is based on a normal mode decomposition of the clusters in order to maintain the symmetry labels. We take account of the electron-strain and the electron-phonon couplings and, by displacing the coordinates of the oscillators, obtain a term that explicitly couples the Jahn-Teller centers, enabling us to perform a mean-field analysis. The calculation of the free energy then becomes straightforward, and obtaining phase diagrams in various regimes follows from the minimization of this free energy. The results show that the character of the phase transition may change from strong to weak first order and even to second-order, depending on the coupling to the vibrational modes. Taken together, these results may serve as a paradigm for crystallization near the transition temperature, where the atoms tend to form clusters of icosahedral symmetry.

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

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.

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.

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

Assembly of quasicrystalline photonic heterostructures

DOEpatents

Grier, David G.; Roichman, Yael; Man, Weining; Chaikin, Paul Michael; Steinhardt, Paul Joseph

2013-03-12

A method and system for assembling a quasicrystalline heterostructure. A plurality of particles is provided with desirable predetermined character. The particles are suspended in a medium, and holographic optical traps are used to position the particles in a way to achieve an arrangement which provides a desired property.

Assembly of quasicrystalline photonic heterostructures

DOEpatents

Grier, David G [New York, NY; Roichman, Yael [New York, NY; Man, Weining [Princeton, NJ; Chaikin, Paul Michael [Pennington, NJ; Steinhardt, Paul Joseph [Princeton, NJ

2011-07-19

A method and system for assembling a quasicrystalline heterostructure. A plurality of particles is provided with desirable predetermined character. The particles are suspended in a medium, and holographic optical traps are used to position the particles in a way to achieve an arrangement which provides a desired property.

Synthesis of porous Cu from Al-Cu-Co decagonal quasicrystalline alloys

NASA Astrophysics Data System (ADS)

Kalai Vani, V.; Kwon, O. J.; Hong, S. M.; Fleury, E.

2011-07-01

The formation of a porous Cu structure from cast Al-Cu-Co decagonal quasicrystalline alloys has been studied using a selective corrosion technique. Two alkaline solutions were selected based on the electrochemical properties of the constituent elements. Selective corrosion of Al and Co was achieved by chemical immersion of the cast Al-Cu-Co alloy in both 5 M NaOH and 0.5 M Na2CO3 solutions; values for BET surface-to-weight ratio of up to 30 m2/g could be reached. Microstructural analyses indicated that the architecture of the resulting porous structures was composed of a needle-type phase, remaining from the decagonal phase, in addition to Cu and Cu-Co phases.

Visible diffraction from quasi-crystalline arrays of carbon nanotubes

NASA Astrophysics Data System (ADS)

Butler, Timothy P.; Butt, Haider; Wilkinson, Timothy D.; Amaratunga, Gehan A. J.

2015-08-01

Large area arrays of vertically-aligned carbon nanotubes (VACNTs) are patterned in a quasi-crystalline Penrose tile arrangement through electron beam lithography definition of Ni catalyst dots and subsequent nanotube growth by plasma-enhanced chemical vapour deposition. When illuminated with a 532 nm laser beam high-quality and remarkable diffraction patterns are seen. The diffraction is well matched to theoretical calculations which assume apertures to be present at the location of the VACNTs for transmitted light. The results show that VACNTs act as diffractive elements in reflection and can be used as spatially phased arrays for producing tailored diffraction patterns.

Composite material reinforced with atomized quasicrystalline particles and method of making same

DOEpatents

Biner, S.B.; Sordelet, D.J.; Lograsso, B.K.; Anderson, I.E.

1998-12-22

A composite material comprises an aluminum or aluminum alloy matrix having generally spherical, atomized quasicrystalline aluminum-transition metal alloy reinforcement particles disposed in the matrix to improve mechanical properties. A composite article can be made by consolidating generally spherical, atomized quasicrystalline aluminum-transition metal alloy particles and aluminum or aluminum alloy particles to form a body that is cold and/or hot reduced to form composite products, such as composite plate or sheet, with interfacial bonding between the quasicrystalline particles and the aluminum or aluminum alloy matrix without damage (e.g. cracking or shape change) of the reinforcement particles. The cold and/or hot worked composite exhibits substantially improved yield strength, tensile strength, Young`s modulus (stiffness). 3 figs.

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.

Driving forces of redistribution of elements during quasicrystalline phase formation under heating of mechanically alloyed Al65Cu23Fe12 powder

NASA Astrophysics Data System (ADS)

Tcherdyntsev, V. V.; Kaloshkin, S. D.; Shelekhov, E. V.; Principi, G.; Rodin, A. O.

2008-02-01

Al65Cu23Fe12 alloys were prepared by ball milling of the elemental powders mixture. Phase and structural transformations at heating of as-milled powders were investigated by X-ray diffraction analysis. Precision analysis of Mössbauer spectra was performed to check the adequacy of the fitting of X-ray diffraction patterns. The results were compared with the data of differential scanning and solution calorimetry, as well as with the thermodynamic literature data, in order to estimate the driving forces of redistribution of elements that preceded the formation of single-phase quasicrystalline structure. The heat of elements mixing, which is positive for Cu-Fe system and negative for Al-Fe and Al-Cu systems, was supposed to be a decisive factor for phase transformations during heating of the alloy. The correlation between sequence of phase transformations during heating and the thermodynamic data was discussed and the scheme describing phase transformations observed was proposed.

Nature-inspired optimization of quasicrystalline arrays and all-dielectric optical filters and metamaterials

NASA Astrophysics Data System (ADS)

Namin, Frank Farhad A.

Quasicrystalline solids were first observed in nature in 1980s. Their lattice geometry is devoid of translational symmetry; however it possesses long-range order as well as certain orders of rotational symmetry forbidden by translational symmetry. Mathematically, such lattices are related to aperiodic tilings. Since their discovery there has been great interest in utilizing aperiodic geometries for a wide variety of electromagnetic (EM) and optical applications. The first thrust of this dissertation addresses applications of quasicrystalline geometries for wideband antenna arrays and plasmonic nano-spherical arrays. The first application considered is the design of suitable antenna arrays for micro-UAV (unmanned aerial vehicle) swarms based on perturbation of certain types of aperiodic tilings. Due to safety reasons and to avoid possible collision between micro-UAVs it is desirable to keep the minimum separation distance between the elements several wavelengths. As a result typical periodic planar arrays are not suitable, since for periodic arrays increasing the minimum element spacing beyond one wavelength will lead to the appearance of grating lobes in the radiation pattern. It will be shown that using this method antenna arrays with very wide bandwidths and low sidelobe levels can be designed. It will also be shown that in conjunction with a phase compensation method these arrays show a large degree of versatility to positional noise. Next aperiodic aggregates of gold nano-spheres are studied. Since traditional unit cell approaches cannot be used for aperiodic geometries, we start be developing new analytical tools for aperiodic arrays. A modified version of generalized Mie theory (GMT) is developed which defines scattering coefficients for aperiodic spherical arrays. Next two specific properties of quasicrystalline gold nano-spherical arrays are considered. The optical response of these arrays can be explained in terms of the grating response of the array

Icosahedral quasicrystals of intermetallic compounds are icosahedral twins of cubic crystals of three kinds, consisting of large (about 5000 atoms) icosahedral complexes in either a cubic body-centered or a cubic face-centered arrangement or smaller (about 1350 atoms) icosahedral complexes in the β-tungsten arrangement

PubMed Central

Pauling, Linus

1989-01-01

The twofold-axis electron-diffraction photographs of icosahedral quasicrystals are of three kinds, reflecting three different structures of the cubic crystals that by icosahedral twinning form the quasicrystals. The first kind, represented by Al13Cu4Fe3, contains two very large icosahedral complexes, each of about 4680 atoms, in the body-centered arrangement, with six smaller icosahedral complexes (104 atoms each) in the principal interstices. The second kind, represented by Al5Mn, contains four of the very large complexes in the face-centered arrangement (cubic close packing), with four of the smaller clusters in the interstices. The third kind, represented by Al6CuLi3, contains eight icosahedral complexes, each of about 1350 atoms, in the β-W arrangement. The supporting evidence for these cubic structures is discussed as well as other evidence showing that the simple quasicrystal theory, which states that quasicrystals do not involve any translational identity operations, has to be modified. Images PMID:16594078

Colloidal diffusion over a quasicrystalline-patterned substrate

NASA Astrophysics Data System (ADS)

Su, Yun; Lai, Pik-Yin; Ackerson, Bruce; Tong, Penger

We report a systematic study of colloidal diffusion over a quasicrystalline-patterned substrate. The sample substrate is made of a flat thin layer of photoresist and contains identical cylindrical holes of diameter dh, which are arranged on a quasicrystal lattice. A monolayer of silica spheres of diameter comparable to dh diffuse over the rugged quasicrystalline-patterned substrate and experience a gravitational potential U (x , y) . With optical microscopy and the particle tracking method, we measure U (x , y) and particle's diffusion trajectories, which are found to undergo two distinct states: a trapped state when the particles are inside the holes and a free diffusion state when they are over the flat portion of the substrate. The dynamic properties of the diffusing particle, such as its mean dwell time, mean square displacement, and long-time diffusion coefficient DL are obtained from the particle trajectories. The measured DL is found to be in good agreement with the prediction of two theoretical models proposed for diffusion over a quasicrystal lattice. The experiment demonstrates the applications of this newly constructed colloidal potential landscape. This work was supported by the Research Grants Council of Hong Kong SAR.

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

Composite material reinforced with atomized quasicrystalline particles and method of making same

DOEpatents

Biner, Suleyman B.; Sordelet, Daniel J.; Lograsso, Barbara K.; Anderson, Iver E.

1998-12-22

A composite material comprises an aluminum or aluminum alloy matrix having generally spherical, atomized quasicrystalline aluminum-transition metal alloy reinforcement particles disposed in the matrix to improve mechanical properties. A composite article can be made by consolidating generally spherical, atomized quaiscrystalline aluminum-transition metal alloy particles and aluminum or aluminum alloy particles to form a body that is cold and/or hot reduced to form composite products, such as composite plate or sheet, with interfacial bonding between the quasicrystalline particles and the aluminum or aluminum alloy matrix without damage (e.g. cracking or shape change) of the reinforcement particles. The cold and/or hot worked compositehibits substantially improved yield strength, tensile strength, Young's modulus (stiffness).

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

PubMed Central

Singh, Alok

2014-01-01

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

Quasi-crystalline and disordered photonic structures fabricated using direct laser writing

NASA Astrophysics Data System (ADS)

Sinelnik, Artem D.; Pinegin, Konstantin V.; Bulashevich, Grigorii A.; Rybin, Mikhail V.; Limonov, Mikhail F.; Samusev, Kirill B.

2017-09-01

Direct laser writing is a rapid prototyping technology that has been utilized for the fabrication of micro- and nano-scale materials that have a perfect structure in most of the cases. In this study we exploit the direct laser writing to create several classes of non-periodic materials, such as quasi-crystalline lattices and three-dimensional (3D) objects with an orientation disorder in structural elements. Among quasi-crystalline lattices we consider Penrose tiling and Lévy-type photonic glasses. Images of the fabricated structures are obtained with a scanning electron microscope. In experiment we study the optical diffraction from 3D woodpile photonic structures with orientation disorder and analyze diffraction patters observed on a flat screen positioned behind the sample. With increasing of the disorder degree, we find an impressive transformation of the diffraction patterns from perfect Laue picture to a speckle pattern.

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.

On the kinetic and equilibrium shapes of icosahedral Al 71Pd 19Mn 10 quasicrystals

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

Senabulya, Nancy; Xiao, Xianghui; Han, Insung

The dynamics of growth and relaxation of icosahedral single quasicrystals in a liquid phase were investigated using in situ synchrotron-based X-ray tomography. Here, our 4D studies (i.e., space- and time-resolved) provide direct evidence that indicates the growth process of an Al 71Pd 19Mn 10 quasicrystal is governed predominantly by bulk transport rather than attachment kinetics. This work is in agreement with theoretical predictions, which show that the pentagonal dodecahedron is not the minimum energy structure in Al-Pd-Mn icosahedral quasicrystals, but merely a growth shape characterized by non-zero anisotropic velocity. This transient shape transforms into a truncated dodecahedral Archimedian polyhedron oncemore » equilibrium has been attained.« less

On the kinetic and equilibrium shapes of icosahedral Al 71Pd 19Mn 10 quasicrystals

DOE PAGES

Senabulya, Nancy; Xiao, Xianghui; Han, Insung; ...

2018-03-06

The dynamics of growth and relaxation of icosahedral single quasicrystals in a liquid phase were investigated using in situ synchrotron-based X-ray tomography. Here, our 4D studies (i.e., space- and time-resolved) provide direct evidence that indicates the growth process of an Al 71Pd 19Mn 10 quasicrystal is governed predominantly by bulk transport rather than attachment kinetics. This work is in agreement with theoretical predictions, which show that the pentagonal dodecahedron is not the minimum energy structure in Al-Pd-Mn icosahedral quasicrystals, but merely a growth shape characterized by non-zero anisotropic velocity. This transient shape transforms into a truncated dodecahedral Archimedian polyhedron oncemore » equilibrium has been attained.« less

Assessment of phase constitution on the Al-rich region of rapidly solidified Al-Co-Fe-Cr alloys

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

Wolf, W., E-mail: witorw@gmail.com

The formation of quasicrystalline approximants in rapidly solidified Al-Co-Fe-Cr alloys was investigated. Alloys of atomic composition Al{sub 71}Co{sub 13}Fe{sub 8}Cr{sub 8}, Al{sub 77}Co{sub 11}Fe{sub 6}Cr{sub 6} and Al{sub 76}Co{sub 19}Fe{sub 4}Cr{sub 1} were produced using melt spinning and arc melting methods and their microstructural characterization was carried out by X-ray diffraction, scanning electron microscopy and transmission electron microscopy. Up to the present there is no consensus in the literature regarding the formation of quasicrystalline phase or quasicrystalline approximants in the Al{sub 71}Co{sub 13}Fe{sub 8}Cr{sub 8} alloy. This work presents, for the first time, a detailed structural characterization of selected alloysmore » in the Al-Co-Fe-Cr system close to the atomic composition Al{sub 71}Co{sub 13}Fe{sub 8}Cr{sub 8}. The results indicated the samples to be composed, mostly, by two intermetallic phases, which are quaternary extensions of Al{sub 5}Co{sub 2} and Al{sub 13}Co{sub 4} and are quasicrystalline approximants. Although the Al{sub 5}Co{sub 2} phase has already been reported in the Al{sub 71}Co{sub 13}Fe{sub 8}Cr{sub 8} alloy, the presence of the monoclinic Al{sub 13}Co{sub 4} is now identified for the first time in the as cast state. In the binary Al-Co system a quasicrystalline phase is known to form in a rapidly solidified alloy with composition close to the monoclinic and orthorhombic Al{sub 13}Co{sub 4} phases. This binary quasicrystalline phase presents an average valence electron per atom (e/a) between 1.7 and 1.9; thus, in addition to the Al{sub 71}Co{sub 13}Fe{sub 8}Cr{sub 8} alloy, the compositions Al{sub 77}Co{sub 11}Fe{sub 6}Cr{sub 6} and Al{sub 76}Co{sub 19}Fe{sub 4}Cr{sub 1} were chosen to be within the region of formation of the quaternary extension of the Al{sub 13}Co{sub 4} phase and also within the (e/a) of 1.7 to 1.9. However, no quasicrystalline phase is present in any of the studied alloys. The Al

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.

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.

Evidence from electron micrographs that icosahedral quasicrystals are icosahedral twins of cubic crystals.

PubMed

Pauling, L

1990-10-01

An analysis of electron micrographs of Al5Mn quasicrystals obtained by rapidly cooling a molten alloy with composition Al17Mn and removing the Al matrix by electrosolution, revealing aggregates of 20 microcrystals at the corners of a pentagonal dodecahedron, supports the proposal that these microcrystals are cubic crystals twinned about an icosahedral seed, with each cubic microcrystal sharing a threefold axis and three symmetry planes with the seed.

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.

Icosahedral and decagonal quasicrystals of intermetallic compounds are multiple twins of cubic or orthorhombic crystals composed of very large atomic complexes with icosahedral point-group symmetry in cubic close packing or body-centered packing: Structure of decagonal Al6Pd

PubMed Central

Pauling, Linus

1989-01-01

A doubly icosahedral complex involves roughly spherical clusters of atoms with icosahedral point-group symmetry, which are themselves, in parallel orientation, icosahedrally packed. These complexes may form cubic crystallites; three structures of this sort have been identified. Analysis of electron diffraction photographs of the decagonal quasicrystal Al6Pd has led to its description as involving pentagonal twinning of an orthorhombic crystal with a = 51.6 Å, b = 37.6 Å, and c = 33.24 Å, with about 4202 atoms in the unit, comprising two 1980-atom doubly icosahedral complexes, each involving icosahedral packing of 45 44-atom icosahedral complexes (at 0 0 0 and 1/2 1/2 1/2) and 242 interstitial atoms. The complexes and clusters are oriented with one of their fivefold axes in the c-axis direction. Images PMID:16594092

Icosahedral and decagonal quasicrystals of intermetallic compounds are multiple twins of cubic or orthorhombic crystals composed of very large atomic complexes with icosahedral point-group symmetry in cubic close packing or body-centered packing: Structure of decagonal Al(6)Pd.

PubMed

Pauling, L

1989-12-01

A doubly icosahedral complex involves roughly spherical clusters of atoms with icosahedral point-group symmetry, which are themselves, in parallel orientation, icosahedrally packed. These complexes may form cubic crystallites; three structures of this sort have been identified. Analysis of electron diffraction photographs of the decagonal quasicrystal Al(6)Pd has led to its description as involving pentagonal twinning of an orthorhombic crystal with a = 51.6 A, b = 37.6 A, and c = 33.24 A, with about 4202 atoms in the unit, comprising two 1980-atom doubly icosahedral complexes, each involving icosahedral packing of 45 44-atom icosahedral complexes (at 0 0 0 and 1/2 1/2 1/2) and 242 interstitial atoms. The complexes and clusters are oriented with one of their fivefold axes in the c-axis direction.

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.

Optimal width of quasicrystalline slabs of dielectric cylinders to microwave radiation transmission contrast

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

Andueza, Ángel; Sevilla, Joaquín; Smart Cities Institute, Universidad Pública de Navarra, 31006 Pamplona

2016-08-28

Light confinement induced by resonant states in aperiodic photonic structures is interesting for many applications. A particular case of these resonances can be found in 2D quasicrystalline arrangements of dielectric cylinders. These systems present a rather isotropic band gap as well as isolated in-gap photonic states (as a result of spatially localized resonances). These states are built by high symmetry polygonal clusters that can be regarded as photonic molecules. In this paper, we study the transmission properties of a slab of glass cylinders arranged in approximants of the decagonal quasicrystalline structure. In particular, we investigate the influence of the slabmore » width in the transmission contrast between the states and the gap. The study is both experimental and numerical in the microwave regime. We find that the best transmission contrast is found for a width of around three times the radiation wavelength. The transmission in the band gap region is mediated by the resonances of the photonic molecules. If the samples are thin enough, they become transparent except around a resonance of the photonic molecule which reflects the incoming light.« less

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.

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

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

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

2016-08-26

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

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.

Mysteries of icosahedral quasicrystals: how are the atoms arranged?

PubMed

Ishimasa, Tsutomu

2016-07-01

Higher-dimensional structure analysis of quasicrystals is now possible. Yamada et al. [IUCrJ (2016), 3, 247-258] have solved the atomic structure of icosahedral ScZn7.33 including the characteristic imperfections.

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.

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

Weak crystallization theory of metallic alloys

DOE PAGES

Martin, Ivar; Gopalakrishnan, Sarang; Demler, Eugene A.

2016-06-20

Crystallization is one of the most familiar, but hardest to analyze, phase transitions. The principal reason is that crystallization typically occurs via a strongly first-order phase transition, and thus rigorous treatment would require comparing energies of an infinite number of possible crystalline states with the energy of liquid. A great simplification occurs when crystallization transition happens to be weakly first order. In this case, weak crystallization theory, based on unbiased Ginzburg-Landau expansion, can be applied. Even beyond its strict range of validity, it has been a useful qualitative tool for understanding crystallization. In its standard form, however, weak crystallization theorymore » cannot explain the existence of a majority of observed crystalline and quasicrystalline states. Here we extend the weak crystallization theory to the case of metallic alloys. In this paper, we identify a singular effect of itinerant electrons on the form of weak crystallization free energy. It is geometric in nature, generating strong dependence of free energy on the angles between ordering wave vectors of ionic density. That leads to stabilization of fcc, rhombohedral, and icosahedral quasicrystalline (iQC) phases, which are absent in the generic theory with only local interactions. Finally, as an application, we find the condition for stability of iQC that is consistent with the Hume-Rothery rules known empirically for the majority of stable iQC; namely, the length of the primary Bragg-peak wave vector is approximately equal to the diameter of the Fermi sphere.« less

Metallic-covalent bonding conversion and thermoelectric properties of Al-based icosahedral quasicrystals and approximants.

PubMed

Takagiwa, Yoshiki; Kimura, Kaoru

2014-08-01

In this article, we review the characteristic features of icosahedral cluster solids, metallic-covalent bonding conversion (MCBC), and the thermoelectric properties of Al-based icosahedral quasicrystals and approximants. MCBC is clearly distinguishable from and closely related to the well-known metal-insulator transition. This unique bonding conversion has been experimentally verified in 1/1-AlReSi and 1/0-Al 12 Re approximants by the maximum entropy method and Rietveld refinement for powder x-ray diffraction data, and is caused by a central atom inside the icosahedral clusters. This helps to understand pseudogap formation in the vicinity of the Fermi energy and establish a guiding principle for tuning the thermoelectric properties. From the electron density distribution analysis, rigid heavy clusters weakly bonded with glue atoms are observed in the 1/1-AlReSi approximant crystal, whose physical properties are close to icosahedral Al-Pd-TM (TM: Re, Mn) quasicrystals. They are considered to be an intermediate state among the three typical solids: metals, covalently bonded networks (semiconductor), and molecular solids. Using the above picture and detailed effective mass analysis, we propose a guiding principle of weakly bonded rigid heavy clusters to increase the thermoelectric figure of merit ( ZT ) by optimizing the bond strengths of intra- and inter-icosahedral clusters. Through element substitutions that mainly weaken the inter-cluster bonds, a dramatic increase of ZT from less than 0.01 to 0.26 was achieved. To further increase ZT , materials should form a real gap to obtain a higher Seebeck coefficient.

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

Microstructure and mechanical properties of aluminium matrix composites reinforced by Al{sub 62}Cu{sub 25.5}Fe{sub 12.5} melt spun ribbon

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

Lityńska-Dobrzyńska, Lidia, E-mail: l.litynska@imim.pl; Mitka, Mikołaj; Góral, Anna

Aluminium matrix composites containing 15, 30 and 50 vol.% of pulverized Al{sub 62}Cu{sub 25.5}Fe{sub 12.5} (in at.%) melt spun ribbons have been prepared by a vacuum hot pressing (T = 673 K, P = 600 MPa). The microstructure of the initial ribbon and the composites was investigated using X-ray, scanning and transmission electron microscopy. In the as-spun ribbon the quasicrystalline icosahedral phase (i-phase) coexisted with the cubic copper rich β-Al(Cu, Fe) intermetallic compound. The phase composition of Al-Cu-Fe particles changed after consolidation process and the i-phase transformed partially to the ω-Al{sub 70}Cu{sub 20}Fe{sub 10} phase. Additionally, the Θ-Al{sub 2}Cu phasemore » formed at the α(Al)/Al-Cu-Fe particle interfaces. With an increase in volume fraction of the reinforcement the hardness of the composites increased up to HV = 180 for the highest amount of added particles. The ultimate compression strength of the same sample reached the value of 545 MPa. - Highlights: • Al and 15, 30, 50% of pulverized Al{sub 62}Cu{sub 25.5}Fe{sub 12.5} melt spun ribbon were consolidated. • The initial ribbon consisted of the icosahedral i-phase and copper rich β-Al(Cu, Fe). • The i-phase partially transforms to ω-Al{sub 7}Cu{sub 2}Fe phase in all composites. • Increase of microhardness and compressive strength with content of reinforcement • Ultimate compression strength 545 MPa for 50% of added particles.« less

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.

Sigma-phase packing of icosahedral clusters in 780-atom tetragonal crystals of Cr5Ni3Si2 and V15Ni10Si that by twinning achieve 8-fold rotational point-group symmetry

PubMed Central

Pauling, Linus

1988-01-01

A 780-atom primitive tetragonal unit with edges 27.3, 27.3, and 12.6 Å is assigned to rapidly solidified Cu5Ni3Si2 and V15Ni10Si by analysis of electron diffraction photographs with the assumption that the crystals contain icosahedral clusters. There are thirty 26-atom clusters at the sigma-phase positions. Apparent 8-fold symmetry results from 45° twinning on the basal plane. PMID:16593915

Sigma-phase packing of icosahedral clusters in 780-atom tetragonal crystals of Cr(5)Ni(3)Si(2) and V(15)Ni(10)Si that by twinning achieve 8-fold rotational point-group symmetry.

PubMed

Pauling, L

1988-04-01

A 780-atom primitive tetragonal unit with edges 27.3, 27.3, and 12.6 A is assigned to rapidly solidified Cu(5)Ni(3)Si(2) and V(15)Ni(10)Si by analysis of electron diffraction photographs with the assumption that the crystals contain icosahedral clusters. There are thirty 26-atom clusters at the sigma-phase positions. Apparent 8-fold symmetry results from 45 degrees twinning on the basal plane.

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.

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.

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

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

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.

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.

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.

Dynamic stabilities of icosahedral-like clusters and their ability to form quasicrystals

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

Liang, Xiaogang; Hamid, Ilyar; Duan, Haiming, E-mail: dhm@xju.edu.cn

2016-06-15

The dynamic stabilities of the icosahedral-like clusters containing up to 2200 atoms are investigated for 15 metal elements. The clusters originate from five different initial structures (icosahedron, truncated decahedron, octahedron, closed-shell fragment of an HCP structure, and non-closed-shell fragment of an HCP structure). The obtained order of the dynamic stabilities of the icosahedral-like clusters can be assigned to three groups, from stronger to weaker, according to the size ranges involved: (Zr, Al, Ti) > (Cu, Fe, Co, Ni, Mg, Ag) > (Pb, Au, Pd, Pt, Rh, Ir), which correspond to the predicted formation ability of the quasicrystals. The differences ofmore » the sequences can be explained by analyzing the parameters of the Gupta-type many-body inter-atomic potentials.« less

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.

Deciphering the kinetic mechanism of spontaneous self-assembly of icosahedral capsids.

PubMed

Nguyen, Hung D; Reddy, Vijay S; Brooks, Charles L

2007-02-01

Self-assembly of viral proteins into icosahedral capsids is an interesting yet poorly understood phenomenon of which elucidation may aid the exploration of beneficial applications of capsids in materials science and medicine. Using molecular dynamics simulations of coarse-grained models for capsid proteins, we show that the competition between the formation of full capsids and nonidealized structures is strongly dependent upon the protein concentration and temperature, occurring kinetically as a cascade of elementary reactions in which free monomers are added to the growing oligomers on a downhill free-energy landscape. However, the insertion of the final subunits is the rate-limiting, energetically unfavorable step in viral capsid assembly. A phase diagram has been constructed to show the regions where capsids or nonidealized structures are stable at each concentration and temperature. We anticipate that our findings will provide guidance in identifying suitable conditions required for in vitro viral capsid assembly experiments.

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

Despite their high genomic diversity, all known viruses are structurally constrained to a limited number of virion morphotypes. One morphotype of viruses infecting bacteria, archaea, and eukaryotes is the tailless icosahedral morphotype with an internal membrane. Although it is considered an abundant morphotype in extreme environments, only seven such archaeal viruses are known. Here, we introduce Haloarcula californiae icosahedral virus 1 (HCIV-1), a halophilic euryarchaeal virus originating from salt crystals. HCIV-1 also retains its infectivity under low-salinity conditions, showing that it is able to adapt to environmental changes. The release of progeny virions resulting from cell lysis was evidenced by reduced cellular oxygen consumption, leakage of intracellular ATP, and binding of an indicator ion to ruptured cell membranes. The virion contains at least 12 different protein species, lipids selectively acquired from the host cell membrane, and a 31,314-bp-long linear double-stranded DNA (dsDNA). The overall genome organization and sequence show high similarity to the genomes of archaeal viruses in the Sphaerolipoviridae family. Phylogenetic analysis based on the major conserved components needed for virion assembly-the major capsid proteins and the packaging ATPase-placed HCIV-1 along with the alphasphaerolipoviruses in a distinct, well-supported clade. On the basis of its virion morphology and sequence similarities, most notably, those of its core virion components, we propose that HCIV-1 is a member of the PRD1-adenovirus structure-based lineage together with other sphaerolipoviruses. This addition to the lineage reinforces the notion of the ancient evolutionary links observed between the viruses and further highlights the limits of the choices found in nature for formation of a virion. Under conditions of extreme salinity, the majority of the organisms present are archaea, which encounter substantial selective pressure, being constantly attacked by

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.

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

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

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.

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.

A model for a transition from a quasicrystalline to a microcrystalline state

NASA Astrophysics Data System (ADS)

Coddens, G.; Launois, P.

1991-07-01

We propose a monoatomic model for a quasicrystal transition as observed recently in systems with icosahedral [3] and decagonal [5] symmetry. It is developed here for the case of decagonal symmetry and is inspired by the experimental results on the system Al-Cu-Co-Si [5,6]. The model goes beyond the purely geometrical description by an important physical aspect: the transition mediates through a single atomic jump distance such that only one unique double-well potential has to be invoked to describe it; in conformity with the symmetry there are 10 jump vectors. In the framework of the model, the microcrystalline state is energetically more favourable than a monocrystalline approximant phase. Nous proposons un modèle mono-atomique pour une transition quasicristal-microcristal du type de celles observées récemment dans des systèmes à symétrie icosaédrique [3] et décagonale [5]. Il est développé ici pour la symétrie décagonale et est inspiré par des résultats expérimentaux concernant l'alliage Al-Cu-Co-Si [5,6]. Le modèle va au-delà d'une description purement géometrique par un aspect physique important : la transition se fait via une seule distance de saut inter-atomique de telle sorte q'un seul double-puits de potentiel doit être pris en compte ; conformément à la symétrie, il y a 10 directions de saut. Dans le cadre du modèle, la phase microcristalline est énergétiquement favorisée par rapport à une phase approximante monocristalline.

Alloy with metallic glass and quasi-crystalline properties

DOEpatents

Xing, Li-Qian; Hufnagel, Todd C.; Ramesh, Kaliat T.

2004-02-17

An alloy is described that is capable of forming a metallic glass at moderate cooling rates and exhibits large plastic flow at ambient temperature. Preferably, the alloy has a composition of (Zr, Hf).sub.a Ta.sub.b Ti.sub.c Cu.sub.d Ni.sub.e Al.sub.f, where the composition ranges (in atomic percent) are 45.ltoreq.a.ltoreq.70, 3.ltoreq.b.ltoreq.7.5, 0.ltoreq.c.ltoreq.4, 3.ltoreq.b+c.ltoreq.10, 10.ltoreq.d.ltoreq.30, 0.ltoreq.e.ltoreq.20, 10.ltoreq.d+e.ltoreq.35, and 5.ltoreq.f.ltoreq.15. The alloy may be cast into a bulk solid with disordered atomic-scale structure, i.e., a metallic glass, by a variety of techniques including copper mold die casting and planar flow casting. The as-cast amorphous solid has good ductility while retaining all of the characteristic features of known metallic glasses, including a distinct glass transition, a supercooled liquid region, and an absence of long-range atomic order. The alloy may be used to form a composite structure including quasi-crystals embedded in an amorphous matrix. Such a composite quasi-crystalline structure has much higher mechanical strength than a crystalline structure.

Scanning tuneeling microscopy studies of fivefold surfaces of icosahedral Al-Pd-Mn quasicrystals and of thin silver films on those surfaces

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

Unal, Baris

2008-01-01

The present work in this dissertation mainly focuses on the clean fivefold surfaces of i-Al-Pd-Mn quasicrystals as well as the nucleation and growth of Ag films on these surfaces. In addition, Ag film growth on NiAl(110) has been explored in the frame of this dissertation. First, we have investigated the equilibration of a fivefold surface of icosahedral Al-Pd-Mn quasicrystal at 900-915 K and 925-950 K, using Omicron variable temperature scanning tunneling microscope (STM). Annealing at low temperatures resulted in many voids on some terraces while the others were almost void-free. After annealing at 925-950K, void-rich terraces became much rarer. Ourmore » STM images suggest that through growth and coalescence of the voids, a different termination becomes exposed on host terraces. All of these observations in our study indicate that even after the quasicrystalline terrace-step structure appears, it evolves with time and temperature. More specifically, based on the STM observations, we conclude that during the annealing a wide range of energetically similar layers nucleate as surface terminations, however, with increasing temperature (and time) this distribution gets narrower via elimination of the metastable void-rich terraces. Next, we have examined the bulk structural models of icosahedral Al-Pd-Mn quasicrystal in terms of the densities, compositions and interplanar spacings for the fivefold planes that might represent physical surface terminations. In our analyses, we mainly have focused on four deterministic models which have no partial or mixed occupancy but we have made some comparisons with an undeterministic model. We have compared the models with each other and also with the available experimental data including STM, LEED-IV, XPD and LEIS. In all deterministic models, there are two different families of layers (a pair of planes), and the nondeterministic model contains similar group of planes. These two families differ in terms of the chemical

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.

Unified structure theory of icosahedral quasicrystals: Evidence from neutron powder diffraction patterns that AlCrFeMnSi, AlCuLiMg, and TiNiFeSi icosahedral quasicrystals are twins of cubic crystals containing about 820 or 1012 atoms in a primitive unit cube

PubMed Central

Pauling, Linus

1988-01-01

A unified structure theory of icosahedral quasicrystals, combining the twinned-cubic-crystal theory and the Penrose-tiling-six-dimensional-projection theory, is described. Values of the primitive-cubic lattice constant for several quasicrystals are evaluated from x-ray and neutron diffraction data. The fact that the low-angle diffraction maxima can be indexed with cubic unit cells provides additional support for the twinned-cubic-crystal theory of icosahedral quasicrystals. PMID:16593990

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;

Magnetism in icosahedral quasicrystals: current status and open questions

DOE PAGES

Goldman, Alan I.

2014-07-02

Progress in our understanding of the magnetic properties of R-containing icosahedral quasicrystals (R = rare earth element) from over 20 years of experimental effort is reviewed. This includes the much studied R-Mg-Zn and R-Mg-Cd ternary systems, as well as several magnetic quasicrystals that have been discovered and investigated more recently including Sc-Fe-Zn, R-Ag-In, Yb-Au-Al, the recently synthesized R-Cd binary quasicrystals, and their periodic approximants. In many ways, the magnetic properties among these quasicrystals are very similar. However, differences are observed that suggest new experiments and promising directions for future research.

Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au 13 and heart-shaped Au 8 clusters

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

Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.

Two ultrasmall gold clusters, Au 13 and Au 8 , were identified as a distorted I h icosahedral Au 13 and edge-shared “core + 4 exo ” structure Au 8 S 2 cores, respectively. They showed interesting luminescence and electrochemical properties.

Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au 13 and heart-shaped Au 8 clusters

DOE PAGES

Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; ...

2018-01-01

Two ultrasmall gold clusters, Au 13 and Au 8 , were identified as a distorted I h icosahedral Au 13 and edge-shared “core + 4 exo ” structure Au 8 S 2 cores, respectively. They showed interesting luminescence and electrochemical properties.

Studies of inactivation mechanism of non-enveloped icosahedral virus by a visible ultrashort pulsed laser

PubMed Central

2014-01-01

Background Low-power ultrashort pulsed (USP) lasers operating at wavelengths of 425 nm and near infrared region have been shown to effectively inactivate viruses such as human immunodeficiency virus (HIV), M13 bacteriophage, and murine cytomegalovirus (MCMV). It was shown previously that non-enveloped, helical viruses such as M13 bacteriophage, were inactivated by a USP laser through an impulsive stimulated Raman scattering (ISRS) process. Recently, enveloped virus like MCMV has been shown to be inactivated by a USP laser via protein aggregation induced by an ISRS process. However, the inactivation mechanism for a clinically important class of viruses – non-enveloped, icosahedral viruses remains unknown. Results and discussions We have ruled out the following four possible inactivation mechanisms for non-enveloped, icosahedral viruses, namely, (1) inactivation due to ultraviolet C (UVC) photons produced by non-linear optical process of the intense, fundamental laser beam at 425 nm; (2) inactivation caused by thermal heating generated by the direct laser absorption/heating of the virion; (3) inactivation resulting from a one-photon absorption process via chromophores such as porphyrin molecules, or indicator dyes, potentially producing reactive oxygen or other species; (4) inactivation by the USP lasers in which the extremely intense laser pulse produces shock wave-like vibrations upon impact with the viral particle. We present data which support that the inactivation mechanism for non-enveloped, icosahedral viruses is the impulsive stimulated Raman scattering process. Real-time PCR experiments show that, within the amplicon size of 273 bp tested, there is no damage on the genome of MNV-1 caused by the USP laser irradiation. Conclusion We conclude that our model non-enveloped virus, MNV-1, is inactivated by the ISRS process. These studies provide fundamental knowledge on photon-virus interactions on femtosecond time scales. From the analysis of the transmission

Studies of Inactivation Mechanism of non-enveloped icosahedral viruses by a visible ultrashort pulsed laser

USDA-ARS?s Scientific Manuscript database

The inactivation mechanism of ultrashort pulsed laser irradiation at a wavelength of 425 nm has been studied using two different-sized, non-enveloped icosahedral viruses, murine norovirus-1 (MNV-1) and human papillomavirus-16 (HPV-16) pseudovirions. Our experimental results are consistent with a mo...

Dynamic and Kinetic Assembly Studies of an Icosahedral Virus Capsid

NASA Astrophysics Data System (ADS)

Lee, Kelly

2011-03-01

Hepatitis B virus has an icosahedrally symmetrical core particle (capsid), composed of either 90 or 120 copies of a dimeric protein building block. We are using time-resolved, solution small-angle X-ray scattering and single-molecule fluorescence microscopy to probe the core particle assembly reaction at the ensemble and individual assembly levels. Our experiments to date reveal the assembly process to be highly cooperative with minimal population of stable intermediate species. Solution conditions, particularly salt concentration, appears to influence the partitioning of assembly products into the two sizes of shells. Funding from NIH R00-GM080352 and University of Washington.

Allosteric Control of Icosahedral Capsid Assembly

PubMed Central

Lazaro, Guillermo R.

2017-01-01

During the lifecycle of a virus, viral proteins and other components self-assemble to form an ordered protein shell called a capsid. This assembly process is subject to multiple competing constraints, including the need to form a thermostable shell while avoiding kinetic traps. It has been proposed that viral assembly satisfies these constraints through allosteric regulation, including the interconversion of capsid proteins among conformations with different propensities for assembly. In this article we use computational and theoretical modeling to explore how such allostery affects the assembly of icosahedral shells. We simulate assembly under a wide range of protein concentrations, protein binding affinities, and two different mechanisms of allosteric control. We find that, above a threshold strength of allosteric control, assembly becomes robust over a broad range of subunit binding affinities and concentrations, allowing the formation of highly thermostable capsids. Our results suggest that allostery can significantly shift the range of protein binding affinities that lead to successful assembly, and thus should be accounted for in models that are used to estimate interaction parameters from experimental data. PMID:27117092

Structural evolutions and hereditary characteristics of icosahedral nano-clusters formed in Mg70Zn30 alloys during rapid solidification processes

NASA Astrophysics Data System (ADS)

Liang, Yong-Chao; Liu, Rang-Su; Xie, Quan; Tian, Ze-An; Mo, Yun-Fei; Zhang, Hai-Tao; Liu, Hai-Rong; Hou, Zhao-Yang; Zhou, Li-Li; Peng, Ping

2017-02-01

To investigate the structural evolution and hereditary mechanism of icosahedral nano-clusters formed during rapid solidification, a molecular dynamics (MD) simulation study has been performed for a system consisting of 107 atoms of liquid Mg70Zn30 alloy. Adopting Honeycutt-Anderson (HA) bond-type index method and cluster type index method (CTIM-3) to analyse the microstructures in the system it is found that for all the nano-clusters including 2~8 icosahedral clusters in the system, there are 62 kinds of geometrical structures, and those can be classified, by the configurations of the central atoms of basic clusters they contained, into four types: chain-like, triangle-tailed, quadrilateral-tailed and pyramidal-tailed. The evolution of icosahedral nano-clusters can be conducted by perfect heredity and replacement heredity, and the perfect heredity emerges when temperature is slightly less than Tm then increase rapidly and far exceeds the replacement heredity at Tg; while for the replacement heredity, there are three major modes: replaced by triangle (3-atoms), quadrangle (4-atoms) and pentagonal pyramid (6-atoms), rather than by single atom step by step during rapid solidification processes.

Modeling multi-layer effects in passive microwave remote sensing of dry snow using Dense Media Radiative Transfer Theory (DMRT) based on quasicrystalline approximation

USGS Publications Warehouse

Liang, D.; Xu, X.; Tsang, L.; Andreadis, K.M.; Josberger, E.G.

2008-01-01

The Dense Media Radiative Transfer theory (DMRT) of Quasicrystalline Approximation of Mie scattering by sticky particles is used to study the multiple scattering effects in layered snow in microwave remote sensing. Results are illustrated for various snow profile characteristics. Polarization differences and frequency dependences of multilayer snow model are significantly different from that of the single-layer snow model. Comparisons are also made with CLPX data using snow parameters as given by the VIC model. ?? 2007 IEEE.

Curating viscoelastic properties of icosahedral viruses, virus-based nanomaterials, and protein cages.

PubMed

Kant, Ravi; Rayaprolu, Vamseedhar; McDonald, Kaitlyn; Bothner, Brian

2018-06-01

The beauty, symmetry, and functionality of icosahedral virus capsids has attracted the attention of biologists, physicists, and mathematicians ever since they were first observed. Viruses and protein cages assemble into functional architectures in a range of sizes, shapes, and symmetries. To fulfill their biological roles, these structures must self-assemble, resist stress, and are often dynamic. The increasing use of icosahedral capsids and cages in materials science has driven the need to quantify them in terms of structural properties such as rigidity, stiffness, and viscoelasticity. In this study, we employed Quartz Crystal Microbalance with Dissipation technology (QCM-D) to characterize and compare the mechanical rigidity of different protein cages and viruses. We attempted to unveil the relationships between rigidity, radius, shell thickness, and triangulation number. We show that the rigidity and triangulation numbers are inversely related to each other and the comparison of rigidity and radius also follows the same trend. Our results suggest that subunit orientation, protein-protein interactions, and protein-nucleic acid interactions are important for the resistance to deformation of these complexes, however, the relationships are complex and need to be explored further. The QCM-D based viscoelastic measurements presented here help us elucidate these relationships and show the future prospect of this technique in the field of physical virology and nano-biotechnology.

Many-molecule encapsulation by an icosahedral shell

PubMed Central

Perlmutter, Jason D; Mohajerani, Farzaneh; Hagan, Michael F

2016-01-01

We computationally study how an icosahedral shell assembles around hundreds of molecules. Such a process occurs during the formation of the carboxysome, a bacterial microcompartment that assembles around many copies of the enzymes ribulose 1,5-bisphosphate carboxylase/ oxygenase and carbonic anhydrase to facilitate carbon fixation in cyanobacteria. Our simulations identify two classes of assembly pathways leading to encapsulation of many-molecule cargoes. In one, shell assembly proceeds concomitantly with cargo condensation. In the other, the cargo first forms a dense globule; then, shell proteins assemble around and bud from the condensed cargo complex. Although the model is simplified, the simulations predict intermediates and closure mechanisms not accessible in experiments, and show how assembly can be tuned between these two pathways by modulating protein interactions. In addition to elucidating assembly pathways and critical control parameters for microcompartment assembly, our results may guide the reengineering of viruses as nanoreactors that self-assemble around their reactants. DOI: http://dx.doi.org/10.7554/eLife.14078.001 PMID:27166515

Au13(8e): A secondary block for describing a special group of liganded gold clusters containing icosahedral Au13 motifs

NASA Astrophysics Data System (ADS)

Xu, Wen Wu; Zeng, Xiao Cheng; Gao, Yi

2017-05-01

A grand unified model (GUM) has been proposed recently to understand structure anatomy and evolution of liganded gold clusters. In this work, besides the two types of elementary blocks (triangular Au3(2e) and tetrahedral Au4(2e)), we introduce a secondary block, namely, the icosahedral Au13 with 8e valence electrons, noted as Au13(8e). Using this secondary block, structural anatomy and evolution of a special group of liganded gold nanoclusters containing icosahedral Au13 motifs can be conveniently analyzed. In addition, a new ligand-protected cluster Au49(PR3)10(SR)15Cl2 is predicted to exhibit high chemical and thermal stability, suggesting likelihood of its synthesis in the laboratory.

Analytical and computational modeling of early penetration of non-enveloped icosahedral viruses into cells.

PubMed

Katzengold, Rona; Zaharov, Evgeniya; Gefen, Amit

2016-07-27

As obligate intracellular parasites, all viruses penetrate target cells to initiate replication and infection. This study introduces two approaches for evaluating the contact loads applied to a cell during early penetration of non-enveloped icosahedral viruses. The first approach is analytical modeling which is based on Hertz's theory for the contact of two elastic bodies; here we model the virus capsid as a triangle and the cell as an order-of-magnitude larger sphere. The second approach is finite element modeling, where we simulate three types of viruses: adeno-, papilloma- and polio- viruses, each interacting with a cell section. We find that the peak contact pressures and forces generated at the initial virus-cell contact depend on the virus geometry - that is both size and shape. With respect to shape, we show that the icosahedral virus shape induces greater peak pressures compared to a spherical virus shape. With respect to size, it is shown that the larger the virus is the greater are the contact loads in the attacked cell. Utilization of our modeling can be substantially useful not only for basic science studies, but also in other, more applied fields, such as in the field of gene therapy, or in `phage' virus studies.

Quantum transport through single and multilayer icosahedral fullerenes

NASA Astrophysics Data System (ADS)

Lovey, Daniel A.; Romero, Rodolfo H.

2013-10-01

We use a tight-binding Hamiltonian and Green functions methods to calculate the quantum transmission through single-wall fullerenes and bilayered and trilayered onions of icosahedral symmetry attached to metallic leads. The electronic structure of the onion-like fullerenes takes into account the curvature and finite size of the fullerenes layers as well as the strength of the intershell interactions depending on to the number of interacting atom pairs belonging to adjacent shells. Misalignment of the symmetry axes of the concentric iscosahedral shells produces breaking of the level degeneracies of the individual shells, giving rise some narrow quasi-continuum bands instead of the localized discrete peaks of the individual fullerenes. As a result, the transmission function for non symmetrical onions is rapidly varying functions of the Fermi energy. Furthermore, we found that most of the features of the transmission through the onions are due to the electronic structure of the outer shell with additional Fano-like antiresonances arising from coupling with or between the inner shells.

Isolation and Characterization of Metallosphaera turreted icosahedral virus (MTIV), a founding member of a new family of archaeal viruses.

PubMed

Wagner, Cassia; Reddy, Vijay; Asturias, Francisco; Khoshouei, Maryam; Johnson, John E; Manrique, Pilar; Munson-McGee, Jacob; Baumeister, Wolfgang; Lawrence, C Martin; Young, Mark J

2017-08-02

Our understanding of archaeal virus diversity and structure is just beginning to emerge. Here we describe a new archaeal virus, tentatively named Metallosphaera turreted icosahedral virus (MTIV), that was isolated from an acidic hot spring in Yellowstone National Park, USA. Two strains of the virus were identified and found to replicate in an archaeal host species closely related to Metallosphaera yellowstonensis Each strain encodes for a 9.8-9.9 kb, linear dsDNA genome with large inverted terminal repeats. Each genome encodes for 21 ORFs. Between the strains the ORFs display high homology, but they are quite distinct from other known viral genes. The 70-nm diameter virion is built upon on a T=28 icosahedral lattice. Both single particle cryo-electron microscopy and cryo-tomography reconstructions reveal an unusual structure that has 42 turret-like projections: 12 from each of the 5-fold axes and 30 hexameric units positioned on icosahedral 2-fold axes. Both the virion structural properties and genome content support MTIV as the founding member of a new family of archaeal viruses. Importance: Many archaeal viruses are quite different than viruses infecting bacteria and eukaryotes. Initial characterization of MTIV reveals a virus distinct from other known bacterial, eukaryotic, and archaeal viruses; this finding suggests that viruses infecting Archaea are still an understudied group of viruses. As the first known virus infecting the Metallosphaera , MTIV provides a new system for exploring archaeal virology by examining host-virus interactions and the unique features of MTIV structure-function relationships. These studies will likely expand our understanding of virus ecology and evolution. Copyright © 2017 American Society for Microbiology.

Analysis of pulsed-neutron powder diffraction patterns of the icosahedral quasicrystals Pd3Siu and AlCuLiMg (three alloys) as twinned cubic crystals with large units.

PubMed Central

Pauling, L

1991-01-01

The low-Q peaks on three pulsed-neutron powder patterns (total, U differential, and Pd differential) of the icosahedral quasicrystal Pd3SiU have been indexed on the basis of an assumed cubic structure of the crystals that by icosahedral twinning form the quasicrystal. The primitive unit cube is found to have edge length 56.20 A and to contain approximately 12,100 atoms. Similar analyses of pulsed-neutron patterns of Al55Cu10Li35, Al55Cu10Li30Mg5, and Al510Cu125Li235Mg130 give values of the cube edge length 58.3, 58.5, and 58.4 A, respectively, with approximately 11,650 atoms in the unit cube. It is suggested that the unit contains eight complexes in the beta-W positions, plus some small interstitial groups of atoms, with each complex consisting of a centered icosahedron of 13 clusters, each of 116 atoms with the icosahedral structure found in the body-centered cubic crystal Mg32(Al,Zn)49. PMID:11607201

Analysis of pulsed-neutron powder diffraction patterns of the icosahedral quasicrystals Pd3Siu and AlCuLiMg (three alloys) as twinned cubic crystals with large units.

PubMed

Pauling, L

1991-08-01

The low-Q peaks on three pulsed-neutron powder patterns (total, U differential, and Pd differential) of the icosahedral quasicrystal Pd3SiU have been indexed on the basis of an assumed cubic structure of the crystals that by icosahedral twinning form the quasicrystal. The primitive unit cube is found to have edge length 56.20 A and to contain approximately 12,100 atoms. Similar analyses of pulsed-neutron patterns of Al55Cu10Li35, Al55Cu10Li30Mg5, and Al510Cu125Li235Mg130 give values of the cube edge length 58.3, 58.5, and 58.4 A, respectively, with approximately 11,650 atoms in the unit cube. It is suggested that the unit contains eight complexes in the beta-W positions, plus some small interstitial groups of atoms, with each complex consisting of a centered icosahedron of 13 clusters, each of 116 atoms with the icosahedral structure found in the body-centered cubic crystal Mg32(Al,Zn)49.

Thermodynamics at the nanoscale: phase diagrams of nickel-carbon nanoclusters and equilibrium constants for phase transitions

NASA Astrophysics Data System (ADS)

Engelmann, Yannick; Bogaerts, Annemie; Neyts, Erik C.

2014-09-01

Using reactive molecular dynamics simulations, the melting behavior of nickel-carbon nanoclusters is examined. The phase diagrams of icosahedral and Wulff polyhedron clusters are determined using both the Lindemann index and the potential energy. Formulae are derived for calculating the equilibrium constants and the solid and liquid fractions during a phase transition, allowing more rational determination of the melting temperature with respect to the arbitrary Lindemann value. These results give more insight into the properties of nickel-carbon nanoclusters in general and can specifically be very useful for a better understanding of the synthesis of carbon nanotubes using the catalytic chemical vapor deposition method.

Adding the Third Dimension to Virus Life Cycles: Three-Dimensional Reconstruction of Icosahedral Viruses from Cryo-Electron Micrographs

PubMed Central

Baker, T. S.; Olson, N. H.; Fuller, S. D.

1999-01-01

Viruses are cellular parasites. The linkage between viral and host functions makes the study of a viral life cycle an important key to cellular functions. A deeper understanding of many aspects of viral life cycles has emerged from coordinated molecular and structural studies carried out with a wide range of viral pathogens. Structural studies of viruses by means of cryo-electron microscopy and three-dimensional image reconstruction methods have grown explosively in the last decade. Here we review the use of cryo-electron microscopy for the determination of the structures of a number of icosahedral viruses. These studies span more than 20 virus families. Representative examples illustrate the use of moderate- to low-resolution (7- to 35-Å) structural analyses to illuminate functional aspects of viral life cycles including host recognition, viral attachment, entry, genome release, viral transcription, translation, proassembly, maturation, release, and transmission, as well as mechanisms of host defense. The success of cryo-electron microscopy in combination with three-dimensional image reconstruction for icosahedral viruses provides a firm foundation for future explorations of more-complex viral pathogens, including the vast number that are nonspherical or nonsymmetrical. PMID:10585969

Multiple diffraction in an icosahedral Al-Cu-Fe quasicrystal

NASA Astrophysics Data System (ADS)

Fan, C. Z.; Weber, Th.; Deloudi, S.; Steurer, W.

2011-07-01

In order to reveal its influence on quasicrystal structure analysis, multiple diffraction (MD) effects in an icosahedral Al-Cu-Fe quasicrystal have been investigated in-house on an Oxford Diffraction four-circle diffractometer equipped with an Onyx™ CCD area detector and MoKα radiation. For that purpose, an automated approach for Renninger scans (ψ-scans) has been developed. Two weak reflections were chosen as the main reflections (called P) in the present measurements. As is well known for periodic crystals, it is also observed for this quasicrystal that the intensity of the main reflection may significantly increase if the simultaneous (H) and the coupling (P-H) reflections are both strong, while there is no obvious MD effect if one of them is weak. The occurrence of MD events during ψ-scans has been studied based on an ideal structure model and the kinematical MD theory. The reliability of the approach is revealed by the good agreement between simulation and experiment. It shows that the multiple diffraction effect is quite significant.

Iterative projection algorithms for ab initio phasing in virus crystallography.

PubMed

Lo, Victor L; Kingston, Richard L; Millane, Rick P

2016-12-01

Iterative projection algorithms are proposed as a tool for ab initio phasing in virus crystallography. The good global convergence properties of these algorithms, coupled with the spherical shape and high structural redundancy of icosahedral viruses, allows high resolution phases to be determined with no initial phase information. This approach is demonstrated by determining the electron density of a virus crystal with 5-fold non-crystallographic symmetry, starting with only a spherical shell envelope. The electron density obtained is sufficiently accurate for model building. The results indicate that iterative projection algorithms should be routinely applicable in virus crystallography, without the need for ancillary phase information. Copyright © 2016 Elsevier Inc. All rights reserved.

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.

Thirty-thousand-year-old distant relative of giant icosahedral DNA viruses with a pandoravirus morphology

PubMed Central

Legendre, Matthieu; Bartoli, Julia; Shmakova, Lyubov; Jeudy, Sandra; Labadie, Karine; Adrait, Annie; Lescot, Magali; Poirot, Olivier; Bertaux, Lionel; Bruley, Christophe; Couté, Yohann; Rivkina, Elizaveta; Abergel, Chantal; Claverie, Jean-Michel

2014-01-01

The largest known DNA viruses infect Acanthamoeba and belong to two markedly different families. The Megaviridae exhibit pseudo-icosahedral virions up to 0.7 μm in diameter and adenine–thymine (AT)-rich genomes of up to 1.25 Mb encoding a thousand proteins. Like their Mimivirus prototype discovered 10 y ago, they entirely replicate within cytoplasmic virion factories. In contrast, the recently discovered Pandoraviruses exhibit larger amphora-shaped virions 1 μm in length and guanine–cytosine-rich genomes up to 2.8 Mb long encoding up to 2,500 proteins. Their replication involves the host nucleus. Whereas the Megaviridae share some general features with the previously described icosahedral large DNA viruses, the Pandoraviruses appear unrelated to them. Here we report the discovery of a third type of giant virus combining an even larger pandoravirus-like particle 1.5 μm in length with a surprisingly smaller 600 kb AT-rich genome, a gene content more similar to Iridoviruses and Marseillevirus, and a fully cytoplasmic replication reminiscent of the Megaviridae. This suggests that pandoravirus-like particles may be associated with a variety of virus families more diverse than previously envisioned. This giant virus, named Pithovirus sibericum, was isolated from a >30,000-y-old radiocarbon-dated sample when we initiated a survey of the virome of Siberian permafrost. The revival of such an ancestral amoeba-infecting virus used as a safe indicator of the possible presence of pathogenic DNA viruses, suggests that the thawing of permafrost either from global warming or industrial exploitation of circumpolar regions might not be exempt from future threats to human or animal health. PMID:24591590

Thirty-thousand-year-old distant relative of giant icosahedral DNA viruses with a pandoravirus morphology.

PubMed

Legendre, Matthieu; Bartoli, Julia; Shmakova, Lyubov; Jeudy, Sandra; Labadie, Karine; Adrait, Annie; Lescot, Magali; Poirot, Olivier; Bertaux, Lionel; Bruley, Christophe; Couté, Yohann; Rivkina, Elizaveta; Abergel, Chantal; Claverie, Jean-Michel

2014-03-18

The largest known DNA viruses infect Acanthamoeba and belong to two markedly different families. The Megaviridae exhibit pseudo-icosahedral virions up to 0.7 μm in diameter and adenine-thymine (AT)-rich genomes of up to 1.25 Mb encoding a thousand proteins. Like their Mimivirus prototype discovered 10 y ago, they entirely replicate within cytoplasmic virion factories. In contrast, the recently discovered Pandoraviruses exhibit larger amphora-shaped virions 1 μm in length and guanine-cytosine-rich genomes up to 2.8 Mb long encoding up to 2,500 proteins. Their replication involves the host nucleus. Whereas the Megaviridae share some general features with the previously described icosahedral large DNA viruses, the Pandoraviruses appear unrelated to them. Here we report the discovery of a third type of giant virus combining an even larger pandoravirus-like particle 1.5 μm in length with a surprisingly smaller 600 kb AT-rich genome, a gene content more similar to Iridoviruses and Marseillevirus, and a fully cytoplasmic replication reminiscent of the Megaviridae. This suggests that pandoravirus-like particles may be associated with a variety of virus families more diverse than previously envisioned. This giant virus, named Pithovirus sibericum, was isolated from a >30,000-y-old radiocarbon-dated sample when we initiated a survey of the virome of Siberian permafrost. The revival of such an ancestral amoeba-infecting virus used as a safe indicator of the possible presence of pathogenic DNA viruses, suggests that the thawing of permafrost either from global warming or industrial exploitation of circumpolar regions might not be exempt from future threats to human or animal health.

Semiconducting icosahedral boron arsenide crystal growth for neutron detection

NASA Astrophysics Data System (ADS)

Whiteley, C. E.; Zhang, Y.; Gong, Y.; Bakalova, S.; Mayo, A.; Edgar, J. H.; Kuball, M.

2011-03-01

Semiconducting icosahedral boron arsenide, B12As2, is an excellent candidate for neutron detectors, thermoelectric converters, and radioisotope batteries, for which high quality single crystals are required. Thus, the present study was undertaken to grow B12As2 crystals by precipitation from metal solutions (nickel) saturated with elemental boron (or B12As2 powder) and arsenic in a sealed quartz ampoule. B12As2 crystals of 10-15 mm were produced when a homogeneous mixture of the three elements was held at 1150 °C for 48-72 h and slowly cooled (3.5 °C/h). The crystals varied in color and transparency from black and opaque to clear and transparent. X-ray topography (XRT), and elemental analysis by energy dispersive X-ray spectroscopy (EDS) confirmed that the crystals had the expected rhombohedral structure and chemical stoichiometry. The concentrations of residual impurities (nickel, carbon, etc.) were low, as measured by Raman spectroscopy and secondary ion mass spectrometry (SIMS). Additionally, low etch-pit densities (4.4×107 cm-2) were observed after etching in molten KOH at 500 °C. Thus, the flux growth method is viable for growing large, high-quality B12As2 crystals.

Abrasion resistant coating and method of making the same

DOEpatents

Sordelet, Daniel J.; Besser, Matthew F.

2001-06-05

An abrasion resistant coating is created by adding a ductile phase to a brittle matrix phase during spray coating where an Al--Cu--Fe quasicrystalline phase (brittle matrix) and an FeAl intermetallic (ductile phase) are combined. This composite coating produces a coating mostly of quasicrystal phase and an inter-splat layer of the FeAl phase to help reduce porosity and cracking within the coating. Coatings are prepared by plasma spraying unblended and blended quasicrystal and intermetallic powders. The blended powders contain 1, 5, 10 and 20 volume percent of the intermetallic powders. The unblended powders are either 100 volume percent quasicrystalline or 100 volume percent intermetallic; these unblended powders were studied for comparison to the others. Sufficient ductile phase should be added to the brittle matrix to transform abrasive wear mode from brittle fracture to plastic deformation, while at the same time the hardness of the composite should not be reduced below that of the original brittle phase material.

Flux quantization in aperiodic and periodic networks

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

Behrooz, A.

1987-01-01

The phase boundary of quasicrystalline, quasi-periodic, and random networks, was studied. It was found that if a network is composed of two different tiles, whose areas are relatively irrational, then the T/sub c/ (H) curve shows large-scale structure at fields that approximate flux quantization around the tiles, i.e., when the ratio of fluxoids contained in the large tiles to those in the small tiles is a rational approximant to the irrational area ratio. The phase boundaries of quasi-crystalline and quasi-periodic networks show fine structure indicating the existence of commensurate vortex superlattices on these networks. No such fine structure is foundmore » on the random array. For a quasi-crystal whose quasi-periodic long-range order is characterized by the irrational number of tau, the commensurate vortex lattices are all found at H = H/sub 0/ absolute value n + m tau (n,m integers). It was found that the commensurate superlattices on quasicrystalline as well as on crystalline networks are related to the inflation symmetry. A general definition of commensurability is proposed.« less

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

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

NASA Astrophysics Data System (ADS)

Marshall, Ryan

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

Present knowledge of electronic properties and charge transport of icosahedral boron-rich solids

NASA Astrophysics Data System (ADS)

Werheit, Helmut

2009-06-01

B12 icosahedra or related structure elements determine the different modifications of elementary boron and numerous boron-rich compounds from α-rhombohedral boron with 12 to YB66 type with about 1584 atoms per unit cell. Typical are well-defined high density intrinsic defects: Jahn-Teller distorted icosahedra, vacancies, incomplete occupancies, statistical occupancies and antisite defects. The correlation between intrinsic point defects and electron deficiencies solves the discrepancy between theoretically predicted metal and experimentally proved semiconducting character. The electron deficiencies generate split-off valence states, which are decisive for the electronic transport, a superposition of band-type and hopping-type conduction. Their share depends on actual conditions like temperature or pre-excitation. The theoretical model of bipolaron hopping is incompatible with numerous experiments. Technical application of the typically p-type icosahedral boron-rich solids requires suitable n-type counterparts; doping and other possibilities are discussed.

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.

Flux Quantization in Aperiodic and Periodic Networks

NASA Astrophysics Data System (ADS)

Behrooz, Angelika

The normal - superconducting phase boundary, T_{c}(H), of a periodic wire network shows periodic oscillations with period H _{o} = phi_ {o}/A due to flux quantization around the individual plaquettes (of area A) of the network. The magnetic flux quantum is phi_{o } = hc/2e. The phase boundary also shows fine structure at fields H = (p/q)H_{o} (p,q integers), where the flux vortices can form commensurate superlattices on the periodic substrate. We have studied the phase boundary of quasicrystalline, quasiperiodic and random networks. We have found that if a network is composed of two different tiles, whose areas are relatively irrational then the T_ {c}(H) curve shows large scale structure at fields that approximate flux quantization around the tiles, i.e. when the ratio of fluxoids contained in the large tiles to those in the small tiles is a rational approximant to the irrational area ratio. The phase boundaries of quasicrystalline and quasiperiodic networks show fine structure indicating the existence of commensurate vortex superlattices on these networks. No such fine structure is found on the random array. For a quasicrystal whose quasiperiodic long-range order is characterized by the irrational number tau the commensurate vortex lattices are all found at H = H_{o}| n + mtau| (n,m integers). We have found that the commensurate superlattices on quasicrystalline as well as on crystalline networks are related to the inflation symmetry. We propose a general definition of commensurability.

Proteomic Analysis of Sulfolobus solfataricus During Sulfolobus Turreted Icosahedral Virus Infection

PubMed Central

Maaty, Walid S.; Selvig, Kyla; Ryder, Stephanie; Tarlykov, Pavel; Hilmer, Jonathan K.; Heinemann, Joshua; Steffens, Joseph; Snyder, Jamie C.; Ortmann, Alice C.; Movahed, Navid; Spicka, Kevin; Chetia, Lakshindra; Grieco, Paul A.; Dratz, Edward A.; Douglas, Trevor; Young, Mark J.; Bothner, Brian

2012-01-01

Where there is life, there are viruses. The impact of viruses on evolution, global nutrient cycling, and disease has driven research on their cellular and molecular biology. Knowledge exists for a wide range of viruses, however, a major exception are viruses with archaeal hosts. Archaeal virus-host systems are of great interest because they have similarities to both eukaryotic and bacterial systems and often live in extreme environments. Here we report the first proteomics-based experiments on archaeal host response to viral infection. Sulfolobus Turreted Icosahedral Virus (STIV) infection of Sulfolobus solfataricus P2 was studied using 1D and 2D differential gel electrophoresis (DIGE) to measure abundance and redox changes. Cysteine reactivity was measured using novel fluorescent zwitterionic chemical probes that, together with abundance changes, suggest that virus and host are both vying for control of redox status in the cells. Proteins from nearly 50% of the predicted viral open reading frames were found along with a new STIV protein with a homolog in STIV2. This study provides insight to features of viral replication novel to the archaea, makes strong connections to well described mechanisms used by eukaryotic viruses such as ESCRT-III mediated transport, and emphasizes the complementary nature of different omics approaches. PMID:22217245

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.

Sulfolobus turreted icosahedral virus c92 protein responsible for the formation of pyramid-like cellular lysis structures.

PubMed

Snyder, Jamie C; Brumfield, Susan K; Peng, Nan; She, Qunxin; Young, Mark J

2011-07-01

Host cells infected by Sulfolobus turreted icosahedral virus (STIV) have been shown to produce unusual pyramid-like structures on the cell surface. These structures represent a virus-induced lysis mechanism that is present in Archaea and appears to be distinct from the holin/endolysin system described for DNA bacteriophages. This study investigated the STIV gene products required for pyramid formation in its host Sulfolobus solfataricus. Overexpression of STIV open reading frame (ORF) c92 in S. solfataricus alone is sufficient to produce the pyramid-like lysis structures in cells. Gene disruption of c92 within STIV demonstrates that c92 is an essential protein for virus replication. Immunolocalization of c92 shows that the protein is localized to the cellular membranes forming the pyramid-like structures.

Wavelet data compression for archiving high-resolution icosahedral model data

NASA Astrophysics Data System (ADS)

Wang, N.; Bao, J.; Lee, J.

2011-12-01

With the increase of the resolution of global circulation models, it becomes ever more important to develop highly effective solutions to archive the huge datasets produced by those models. While lossless data compression guarantees the accuracy of the restored data, it can only achieve limited reduction of data size. Wavelet transform based data compression offers significant potentials in data size reduction, and it has been shown very effective in transmitting data for remote visualizations. However, for data archive purposes, a detailed study has to be conducted to evaluate its impact to the datasets that will be used in further numerical computations. In this study, we carried out two sets of experiments for both summer and winter seasons. An icosahedral grid weather model and a highly efficient wavelet data compression software were used for this study. Initial conditions were compressed and input to the model to run to 10 days. The forecast results were then compared to those forecast results from the model run with the original uncompressed initial conditions. Several visual comparisons, as well as the statistics of numerical comparisons are presented. These results indicate that with specified minimum accuracy losses, wavelet data compression achieves significant data size reduction, and at the same time, it maintains minimum numerical impacts to the datasets. In addition, some issues are discussed to increase the archive efficiency while retaining a complete set of meta data for each archived file.

Imaging and Quantitation of a Succession of Transient Intermediates Reveal the Reversible Self-Assembly Pathway of a Simple Icosahedral Virus Capsid.

PubMed

Medrano, María; Fuertes, Miguel Ángel; Valbuena, Alejandro; Carrillo, Pablo J P; Rodríguez-Huete, Alicia; Mateu, Mauricio G

2016-11-30

Understanding the fundamental principles underlying supramolecular self-assembly may facilitate many developments, from novel antivirals to self-organized nanodevices. Icosahedral virus particles constitute paradigms to study self-assembly using a combination of theory and experiment. Unfortunately, assembly pathways of the structurally simplest virus capsids, those more accessible to detailed theoretical studies, have been difficult to study experimentally. We have enabled the in vitro self-assembly under close to physiological conditions of one of the simplest virus particles known, the minute virus of mice (MVM) capsid, and experimentally analyzed its pathways of assembly and disassembly. A combination of electron microscopy and high-resolution atomic force microscopy was used to structurally characterize and quantify a succession of transient assembly and disassembly intermediates. The results provided an experiment-based model for the reversible self-assembly pathway of a most simple (T = 1) icosahedral protein shell. During assembly, trimeric capsid building blocks are sequentially added to the growing capsid, with pentamers of building blocks and incomplete capsids missing one building block as conspicuous intermediates. This study provided experimental verification of many features of self-assembly of a simple T = 1 capsid predicted by molecular dynamics simulations. It also demonstrated atomic force microscopy imaging and automated analysis, in combination with electron microscopy, as a powerful single-particle approach to characterize at high resolution and quantify transient intermediates during supramolecular self-assembly/disassembly reactions. Finally, the efficient in vitro self-assembly achieved for the oncotropic, cell nucleus-targeted MVM capsid may facilitate its development as a drug-encapsidating nanoparticle for anticancer targeted drug delivery.

In-situ neutron diffraction of a quasicrystal-containing Mg alloy interpreted using a new polycrystal plasticity model of hardening due to {10.2} tensile twinning

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

Agnew, S. R.; Singh, A.; Calhoun, C. A.

Due to the excellent balance of strength and ductility exhibited by some Mg-Zn-RE (Y subgroup rare earth element) alloys, which contain icosahedral quasicrystalline precipitates, it is of interest to examine their deformation mechanisms. Furthermore, the internal strain evolution Mg-3at%Zn-0.5 at%Y with 4 vol% i-phase was measured using in-situ neutron diffraction. The extruded samples exhibit an initially weak <10.0> || extrusion direction “rod texture,” distinct from the normally strong texture of extruded Mg alloys, but the grain size is unexceptional (16.7 ± 2.1 μm). The initially weak texture contributes to a nearly symmetric yielding response between tension and compression. The hardeningmore » responses are asymmetric, however, since {10.2} extension twinning is significantly more active during compressive straining, despite the initially weak texture. In-situ neutron diffraction tension and compression experiments parallel to the extrusion direction, together with elasto-plastic self-consistent (EPSC) crystal plasticity modeling, reveal the strength and hardening behavior of individual slip and twinning modes. A model that was previously published about twinning-detwinning (TDT) is implemented within the EPSC framework, and it is proven effective for describing the observed, mild tension-compression asymmetry. This is not possible with previous EPSC-based models of twinning. Finally, the description of hardening within the TDT model is modified, in order to accurately describe the evolution of internal strains within the twins.« less

In-situ neutron diffraction of a quasicrystal-containing Mg alloy interpreted using a new polycrystal plasticity model of hardening due to {10.2} tensile twinning

DOE PAGES

Agnew, S. R.; Singh, A.; Calhoun, C. A.; ...

2018-09-17

Due to the excellent balance of strength and ductility exhibited by some Mg-Zn-RE (Y subgroup rare earth element) alloys, which contain icosahedral quasicrystalline precipitates, it is of interest to examine their deformation mechanisms. Furthermore, the internal strain evolution Mg-3at%Zn-0.5 at%Y with 4 vol% i-phase was measured using in-situ neutron diffraction. The extruded samples exhibit an initially weak <10.0> || extrusion direction “rod texture,” distinct from the normally strong texture of extruded Mg alloys, but the grain size is unexceptional (16.7 ± 2.1 μm). The initially weak texture contributes to a nearly symmetric yielding response between tension and compression. The hardeningmore » responses are asymmetric, however, since {10.2} extension twinning is significantly more active during compressive straining, despite the initially weak texture. In-situ neutron diffraction tension and compression experiments parallel to the extrusion direction, together with elasto-plastic self-consistent (EPSC) crystal plasticity modeling, reveal the strength and hardening behavior of individual slip and twinning modes. A model that was previously published about twinning-detwinning (TDT) is implemented within the EPSC framework, and it is proven effective for describing the observed, mild tension-compression asymmetry. This is not possible with previous EPSC-based models of twinning. Finally, the description of hardening within the TDT model is modified, in order to accurately describe the evolution of internal strains within the twins.« less

Thermodynamic consideration and ground-state search of icosahedral boron subselenide B12(B1-xSex) 2 from a first-principles cluster expansion

NASA Astrophysics Data System (ADS)

Ektarawong, A.

2018-05-01

The phase stability of icosahedral boron subselenide B12(B1-xSex) 2 , where 0.5 ≤x ≤1 , is explored using a first-principles cluster expansion. The results shows that, instead of a continuous solid solution, B12(B1-xSex) 2 is thermodynamically stable as an individual line compound at the composition of B9.5Se . The ground-state configuration of B9.5Se is represented by a mixture of B12(Se-Se), B12(B-Se), and B12(Se-B) with a ratio of 1:1:1, where they form a periodic A B C A B C ⋯ stacking sequence of B12(Se-Se), B12(B-Se), and B12(Se-B) layers along the c axis of the hexagonal conventional unit cell. The structural and electronic properties of the ground-state B9.5Se are also derived and discussed. By comparing the derived ground-state properties of B9.5Se to the existing experimental data of boron subselenide B˜13Se , I proposed that the as-synthesized boron subselenide B˜13Se , as reported in the literature, has the actual composition of B9.5Se .

Magnetic Resonance Characterization of Defects in Icosahedral and Cubic Boron Arsenide Bulk Crystals

NASA Astrophysics Data System (ADS)

Glaser, E. R.; Freitas, J. A., Jr.; Cress, C. D.; Perkins, F. K.; Prokes, S. M.; Ruppalt, L. B.; Culbertson, J. C.; Whiteley, C.; Edgar, J. H.; Tian, F.; Ren, Z.; Kim, J.; Shi, L.; Naval Research Lab Team; Kansas State U. Team; U. Houston Team; U. Texas Team

Low-temperature electron spin resonance (ESR) at 9.5 GHz and optically-detected magnetic resonance (ODMR) at 24 GHz were employed to investigate point defects in icosahedral and cubic Boron Arsenide bulk crystals. These semiconductors are of interest for use in high radiation and/or high temperature environments. ESR of the (001) B12As2 (Eg = 3.47 eV) mm-size platelets revealed two distinct features of unknown origin. The first signal is characterized by Zeeman splitting g-values of g|| = 2.017, g⊥ = 2.0183 while the second with g|| = 2.0182, g⊥ = 1.9997. Most notably, the second signal was also observed from ODMR on the broad 2.4 eV ``yellow/green'' photoluminescence band previously reported for these crystals and suggests its direct involvement in this likely defect-related radiative recombination process. Preliminary ESR obtained for the 100-300 micron-size cubic BAs crystals revealed a signal with g-value of 2.018 (very similar to that found for the B12As2 crystals) and broad FWHM value of 182 G. Possible origins of these defects will be discussed.

Nanothermodynamics of iron clusters: Small clusters, icosahedral and fcc-cuboctahedral structures

NASA Astrophysics Data System (ADS)

Angelié, C.; Soudan, J.-M.

2017-05-01

The study of the thermodynamics and structures of iron clusters has been carried on, focusing on small clusters and initial icosahedral and fcc-cuboctahedral structures. Two combined tools are used. First, energy intervals are explored by the Monte Carlo algorithm, called σ-mapping, detailed in the work of Soudan et al. [J. Chem. Phys. 135, 144109 (2011), Paper I]. In its flat histogram version, it provides the classical density of states, gp(Ep), in terms of the potential energy of the system. Second, the iron system is described by a potential which is called "corrected EAM" (cEAM), explained in the work of Basire et al. [J. Chem. Phys. 141, 104304 (2014), Paper II]. Small clusters from 3 to 12 atoms in their ground state have been compared first with published Density Functional Theory (DFT) calculations, giving a complete agreement of geometries. The series of 13, 55, 147, and 309 atom icosahedrons is shown to be the most stable form for the cEAM potential. However, the 147 atom cluster has a special behaviour, since decreasing the energy from the liquid zone leads to the irreversible trapping of the cluster in a reproducible amorphous state, 7.38 eV higher in energy than the icosahedron. This behaviour is not observed at the higher size of 309 atoms. The heat capacity of the 55, 147, and 309 atom clusters revealed a pronounced peak in the solid zone, related to a solid-solid transition, prior to the melting peak. The corresponding series of 13, 55, and 147 atom cuboctahedrons has been compared, underscoring the unstability towards the icosahedral structure. This unstability occurs clearly in several steps for the 147 atom cluster, with a sudden transformation at a transition state. This illustrates the concerted icosahedron-cuboctahedron transformation of Buckminster Fuller-Mackay, which is calculated for the cEAM potential. Two other clusters of initial fcc structures with 24 and 38 atoms have been studied, as well as a 302 atom cluster. Each one relaxes

Application of the phase extension method in virus crystallography.

PubMed

Reddy, Vijay S

2016-01-01

The procedure for phase extension (PX) involves gradually extending the initial phases from low resolution (e.g., ~8Å) to the high-resolution limit of a diffraction data set. Structural redundancy present in the viral capsids that display icosahedral symmetry results in a high degree of non-crystallographic symmetry (NCS), which in turn translates into higher phasing power and is critical for improving and extending phases to higher resolution. Greater completeness of the diffraction data and determination of a molecular replacement solution, which entails accurately identifying the virus particle orientation(s) and position(s), are important for the smooth progression of the PX procedure. In addition, proper definition of a molecular mask (envelope) around the NCS-asymmetric unit has been found to be important for the success of density modification procedures, such as density averaging and solvent flattening. Regardless of the degree of NCS, the PX method appears to work well in all space groups, provided an accurate molecular mask is used along with reasonable initial phases. However, in the cases with space group P1, in addition to requiring a molecular mask, starting the phase extension at a higher resolution (e.g., 6Å) overcame the previously reported problems due to Babinet phases and phase flipping errors.

Structure-based engineering of an icosahedral virus for nanomedicine and nanotechnology.

PubMed

Steinmetz, N F; Lin, T; Lomonossoff, G P; Johnson, J E

2009-01-01

A quintessential tenet of nanotechnology is the self-assembly of nanometer-sized components into devices. Biological macromolecular systems such as viral particles were found to be suitable building blocks for nanotechnology for several reasons: viral capsids are extremely robust and can be produced in large quantities with ease, the particles self-assemble into monodisperse particles with a high degree of symmetry and polyvalency, they have the propensity to form arrays, and they offer programmability through genetic and chemical engineering. Here, we review the recent advances in engineering the icosahedral plant virus Cowpea mosaic virus (CPMV) for applications in nano-medicine and -technology. In the first part, we will discuss how the combined knowledge of the structure of CPMV at atomic resolution and the use of chimeric virus technology led to the generation of CPMV particles with short antigenic peptides for potential use as vaccine candidates. The second part focuses on the chemical addressability of CPMV. Strategies to chemically attach functional molecules at designed positions on the exterior surface of the viral particle are described. Biochemical conjugation methods led to the fabrication of electronically conducting CPMV particles and networks. In addition, functional proteins for targeted delivery to mammalian cells were successfully attached to CPMV. In the third part, we focus on the utilization of CPMV as a building block for the generation of 2D and 3D arrays. Overall, the potential applications of viral nanobuilding blocks are manifold and range from nanoelectronics to biomedical applications.

Dynamics of Transformation from Platinum Icosahedral Nanoparticles to Larger FCC Crystal at Millisecond Time Resolution

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

Gao, Wenpei; Wu, Jianbo; Yoon, Aram

Atomic motion at grain boundaries is essential to microstructure development, growth and stability of catalysts and other nanostructured materials. However, boundary atomic motion is often too fast to observe in a conventional transmission electron microscope (TEM) and too slow for ultrafast electron microscopy. We report on the entire transformation process of strained Pt icosahedral nanoparticles (ICNPs) into larger FCC crystals, captured at 2.5 ms time resolution using a fast electron camera. Results show slow diffusive dislocation motion at nm/s inside ICNPs and fast surface transformation at μm/s. By characterizing nanoparticle strain, we show that the fast transformation is driven bymore » inhomogeneous surface stress. And interaction with pre-existing defects led to the slowdown of the transformation front inside the nanoparticles. Particle coalescence, assisted by oxygen-induced surface migration at T ≥ 300°C, also played a critical role. Thus by studying transformation in the Pt ICNPs at high time and spatial resolution, we obtain critical insights into the transformation mechanisms in strained Pt nanoparticles.« less

Nanocrystallization of Zr-Cu-Ni-Al-Au glassy alloys during severe plastic deformation

NASA Astrophysics Data System (ADS)

Yamada, Masahiro; Kamisato, Ryo; Yamasaki, Tohru; Adachi, Hiroki; Tsuchiya, Koichi; Yokoyama, Yoshihiko

2014-08-01

A study has been carried out into the formation of nanocrystalline grains during high-pressure torsion (HPT) deformation of Zr65Cu17Ni5Al10Au3 bulk alloys prepared using tilt casting. As a preliminary to this, X-ray diffraction (XRD) and differential scanning calorimetry (DSC) analyses were carried out on as-cast Zr65+xCu17-xNi5Al10Au3 (x=0~5 at.%) and Zr65Cu20Ni5Al10Au3 alloys, in order to determine the effect on the microstructure of the excess Zr content x and the presence of Au. From the XRD patterns, it was determined that all of the alloys had a metallic glassy nature. For Zr65Cu17Ni5Al10Au3, the DSC results indicated the presence of a wide supercooled liquid region between the glass transition temperature (Tg) of 644 K and the crystallization temperature of 763 K, where the stable body-centered tetragonal Zr2Cu phase was formed. In contrast, for the Zr65+xCu17-xNi5Al10Au3 alloys, precipitation of an icosahedral quasicrystalline phase (I-phase) was observed in the supercooled liquid region at about 715 K. HPT deformation of the Zr65Cu17Ni5Al10Au3 alloys was carried out under a high pressure of 5 GPa. Both as-cast specimens and those annealed at Tg-50 K for 90 min were used. Following a single HPT rotation (N=1), transmission electron microscopy identified the presence of face- centered cubic Zr2Ni precipitates in the as-cast alloy, with a size of about 50 nm. For the annealed alloy, a high density of I-phase precipitates with sizes of less than 10 nm was observed following HPT with N=10, indicating that the combination of severe plastic deformation and annealing is effective at producing extremely small grains.

Phase behavior of charged colloids on spherical surfaces

NASA Astrophysics Data System (ADS)

Kelleher, Colm; Guerra, Rodrigo; Chaikin, Paul

For a broad class of 2D materials, the transition from isotropic fluid to crystalline solid is described by the theory of melting due to Kosterlitz, Thouless, Halperin, Nelson and Young. According to this theory, long-range order is achieved via elimination of the topological defects which proliferate in the fluid phase. However, many natural and man-made 2D systems posses spatial curvature and/or non-trivial topology, which require the presence of defects, even at T = 0 . In principle, the presence of these defects could profoundly affect the phase behavior of such a system. In this presentation, we describe experiments and simulations we have performed on repulsive particles which are bound to the surface of a sphere. We observe spatial structures and inhomogeneous dynamics that cannot be captured by the measures traditionally used to describe flat-space phase behavior. We show that ordering is achieved by a novel mechanism: sequestration of topological defects into freely-terminating grain boundaries (``scars''), and simultaneous spatial organization of the scars themselves on the vertices of an icosahedron. The emergence of icosahedral order coincides with the localization of mobility into isolated ``lakes'' of fluid or glassy particles, situated at the icosahedron vertices.

Atomistic modeling of the low-frequency mechanical modes and Raman spectra of icosahedral virus capsids

NASA Astrophysics Data System (ADS)

Dykeman, Eric C.; Sankey, Otto F.

2010-02-01

We describe a technique for calculating the low-frequency mechanical modes and frequencies of a large symmetric biological molecule where the eigenvectors of the Hessian matrix are determined with full atomic detail. The method, which follows order N methods used in electronic structure theory, determines the subset of lowest-frequency modes while using group theory to reduce the complexity of the problem. We apply the method to three icosahedral viruses of various T numbers and sizes; the human viruses polio and hepatitis B, and the cowpea chlorotic mottle virus, a plant virus. From the normal-mode eigenvectors, we use a bond polarizability model to predict a low-frequency Raman scattering profile for the viruses. The full atomic detail in the displacement patterns combined with an empirical potential-energy model allows a comparison of the fully atomic normal modes with elastic network models and normal-mode analysis with only dihedral degrees of freedom. We find that coarse-graining normal-mode analysis (particularly the elastic network model) can predict the displacement patterns for the first few (˜10) low-frequency modes that are global and cooperative.

Tropical cyclones over the North Indian Ocean: experiments with the high-resolution global icosahedral grid point model GME

NASA Astrophysics Data System (ADS)

Kumkar, Yogesh V.; Sen, P. N.; Chaudhari, Hemankumar S.; Oh, Jai-Ho

2018-02-01

In this paper, an attempt has been made to conduct a numerical experiment with the high-resolution global model GME to predict the tropical storms in the North Indian Ocean during the year 2007. Numerical integrations using the icosahedral hexagonal grid point global model GME were performed to study the evolution of tropical cyclones, viz., Akash, Gonu, Yemyin and Sidr over North Indian Ocean during 2007. It has been seen that the GME model forecast underestimates cyclone's intensity, but the model can capture the evolution of cyclone's intensity especially its weakening during landfall, which is primarily due to the cutoff of the water vapor supply in the boundary layer as cyclones approach the coastal region. A series of numerical simulation of tropical cyclones have been performed with GME to examine model capability in prediction of intensity and track of the cyclones. The model performance is evaluated by calculating the root mean square errors as cyclone track errors.

Molecular Structure of a 9-MDa Icosahedral Pyruvate Dehydrogenase Subcomplex Containing the E2 and E3 Enzymes Using Cryoelectron Microscopy*

PubMed Central

Milne, Jacqueline L. S.; Wu, Xiongwu; Borgnia, Mario J.; Lengyel, Jeffrey S.; Brooks, Bernard R.; Shi, Dan; Perham, Richard N.; Subramaniam, Sriram

2006-01-01

The pyruvate dehydrogenase multienzyme complexes are among the largest multifunctional catalytic machines in cells, catalyzing the production of acetyl CoA from pyruvate. We have previously reported the molecular architecture of an 11-MDa subcomplex comprising the 60-mer icosahedral dihydrolipoyl acetyltransferase (E2) decorated with 60 copies of the heterotetrameric (α2β2) 153-kDa pyruvate decarboxylase (E1) from Bacillus stearothermophilus (Milne, J. L. S., Shi, D., Rosenthal, P. B., Sunshine, J. S., Domingo, G. J., Wu, X., Brooks, B. R., Perham, R. N., Henderson, R., and Subramaniam, S. (2002) EMBO J. 21, 5587–5598). An annular gap of ~90 Å separates the acetyltransferase catalytic domains of the E2 from an outer shell formed of E1 tetramers. Using cryoelectron microscopy, we present here a three-dimensional reconstruction of the E2 core decorated with 60 copies of the homodimeric 100-kDa dihydrolipoyl dehydrogenase (E3). The E2E3 complex has a similar annular gap of ~75 Å between the inner icosahedral assembly of acetyltransferase domains and the outer shell of E3 homodimers. Automated fitting of the E3 coordinates into the map suggests excellent correspondence between the density of the outer shell map and the positions of the two best fitting orientations of E3. As in the case of E1 in the E1E2 complex, the central 2-fold axis of the E3 homodimer is roughly oriented along the periphery of the shell, making the active sites of the enzyme accessible from the annular gap between the E2 core and the outer shell. The similarities in architecture of the E1E2 and E2E3 complexes indicate fundamental similarities in the mechanism of active site coupling involved in the two key stages requiring motion of the swinging lipoyl domain across the annular gap, namely the synthesis of acetyl CoA and regeneration of the dithiolane ring of the lipoyl domain. PMID:16308322

Science Using an Electrostatic Levitation Furnace in the MUCAT Sector at the APS

NASA Technical Reports Server (NTRS)

Goldman, A.; Kelton, K. F.; Rogers, J. R.

2004-01-01

The original motivation for the construction of the BESL prototype was to obtain the first proof of a 50-year-old hypothesis regarding the solidification of liquid metals. Since the 1950s it has been known that under proper conditions liquid metals can be cooled below their melting temperature (undercooled) without crystallizing to the stable solid phase. In 1952 Frank proposed that this was because the atoms in the metallic liquid were arranged with the symmetry of an icosahedron, a Platonic solid consisting of 20 tetrahedra (4-sided pyramid-shaped polyhedra) arranged around a common center. Since this local atomic order is incompatible with the long-range translational periodicity of crystal phases, a barrier is formed to the formation of small regions of the crystal phase, the nucleation barrier. A proof of Frank's hypothesis required a direct correlation between measured icosahedral order in the undercooled liquid and the nucleation barrier. The tendency of sample containers to catalyze nucleation obscured this relation, requiring containerless techniques. Combining containerless processing techniques for electrostatically levitated droplets (ESL) with x-ray synchrotron methods, a team from Washington University, St. Louis, MO, NASA Marshall Space Flight Center, and MUCAT at the APS demonstrated an increasing icosahedral order in TiZrNi liquids with decreasing temperature below the melting temperature. The increased icosahedral order caused the transformation of the liquid to a metastable icosahedral quasicrystal phase, instead of the stable tetrahedrally-coordinated crystal intermetallic, giving the first clear demonstration of the connection between the nucleation barrier and the local structure of the liquid, verifying Frank's hypothesis for this alloy.

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.

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

The icosahedral RNA virus as a grotto: organizing the genome into stalagmites and stalactites.

PubMed

Harvey, Stephen C; Zeng, Yingying; Heitsch, Christine E

2013-03-01

There are two important problems in the assembly of small, icosahedral RNA viruses. First, how does the capsid protein select the viral RNA for packaging, when there are so many other candidate RNA molecules available? Second, what is the mechanism of assembly? With regard to the first question, there are a number of cases where a particular RNA sequence or structure--often one or more stem-loops--either promotes assembly or is required for assembly, but there are others where specific packaging signals are apparently not required. With regard to the assembly pathway, in those cases where stem-loops are involved, the first step is generally believed to be binding of the capsid proteins to these "fingers" of the RNA secondary structure. In the mature virus, the core of the RNA would then occupy the center of the viral particle, and the stem-loops would reach outward, towards the capsid, like stalagmites reaching up from the floor of a grotto towards the ceiling. Those viruses whose assembly does not depend on protein binding to stem-loops could have a different structure, with the core of the RNA lying just under the capsid, and the fingers reaching down into the interior of the virus, like stalactites. We review the literature on these alternative structures, focusing on RNA selectivity and the assembly mechanism, and we propose experiments aimed at determining, in a given virus, which of the two structures actually occurs.

Syntheses of super-hard boron-rich solids in the B-C-N-O system

NASA Astrophysics Data System (ADS)

Hubert, Herve Pierre

Alpha-rhombohedral (alpha-rh.) B-rich materials belonging to the B-C-N-O system were prepared using high-pressure, high-temperature techniques. The samples were synthesized using a multianvil device and characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and parallel electron energy-loss spectroscopy (PEELS). In the B-O system, the formation of BsbxO materials produced from mixtures of B and Bsb2Osb3 between 1 to 10 GPa and 1000 to 1800sp°C was investigated. Graphitic and diamond-like Bsb2O, reported in previous studies, were not detected. The refractory boron suboxide, nominally Bsb6O, which has the alpha-rh. B structure, is the dominant suboxide in the P and T range of our investigation. High-pressure techniques were used successfully to synthesize boron suboxide of improved purity and crystallinity, and less oxygen-deficient (i.e., closer to the nominal Bsb6O composition) in comparison to room-pressure syntheses. Quantitative analyses indicate compositions of Bsb6Osb{0.95} and Bsb6Osb{0.77} for high-pressure and room-pressure samples, respectively. The first preparation, between 4 to 5.5 GPa, of Bsb6O in which the preferred form of the material is as macroscopic near-perfect regular icosahedra (to 30 mum in diameter) is reported. The Bsb6O icosahedra are similar to the multiply-twinned particles observed in some cubic materials. However, a major difference is that Bsb6O has a rhombohedral structure that closely fits the geometrical requirements for obtaining icosahedral twins. The Bsb6O grains are neither 3D-periodic nor quasicrystalline. Their formation can be described as a Mackay packing of icosahedral Bsb{12} units and provides an alternative to crystal formation by propagation of translational symmetry. Icosahedral twins ranging from 20 nm to 30 mum in diameter, as well as micron-sized euhedral crystals (to 40 mum) were prepared. The structural similarity of compounds with the alpha

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

NASA Technical Reports Server (NTRS)

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

2003-01-01

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

Solidification studies of nanocrystalline and quasicrystalline materials from the undercooled state

NASA Astrophysics Data System (ADS)

Croat, Thomas Kevin

2001-07-01

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

Evolution of short range order in Ar: Liquid to glass and solid transitions-A computational study

NASA Astrophysics Data System (ADS)

Shor, Stanislav; Yahel, Eyal; Makov, Guy

2018-04-01

The evolution of the short range order (SRO) as a function of temperature in a Lennard-Jones model liquid with Ar parameters was determined and juxtaposed with thermodynamic and kinetic properties obtained as the liquid was cooled (heated) and transformed between crystalline solid or glassy states and an undercooled liquid. The Lennard-Jones system was studied by non-equilibrium molecular dynamics simulations of large supercells (approximately 20000 atoms) rapidly cooled or heated at selected quenching rates and at constant pressure. The liquid to solid transition was identified by discontinuities in the atomic volume and molar enthalpy; the glass transition temperature range was identified from the temperature dependence of the self-diffusion. The SRO was studied within the quasi-crystalline model (QCM) framework and compared with the Steinhardt bond order parameters. Within the QCM it was found that the SRO evolves from a bcc-like order in the liquid through a bct-like short range order (c/a=1.2) in the supercooled liquid which persists into the glass and finally to a fcc-like ordering in the crystalline solid. The variation of the SRO that results from the QCM compares well with that obtained with Steinhardt's bond order parameters. The hypothesis of icosahedral order in liquids and glasses is not supported by our results.

Skeletal Ru/Cu catalysts prepared from crystalline and quasicrystalline ternary alloy precursors: characterization by X-ray absorption spectroscopy and CO oxidation.

PubMed

Highfield, James; Liu, Tao; Loo, Yook Si; Grushko, Benjamin; Borgna, Armando

2009-02-28

The Ru/Cu system is of historical significance in catalysis. The early development and application of X-ray absorption spectroscopy (XAS) led to the original 'bimetallic cluster" concept for highly-immiscible systems. This work explores alkali leaching of Al-based ternary crystalline and quasicrystalline precursors as a potential route to bulk Ru/Cu alloys. Single-phase ternary alloys at 3 trial compositions; Al(71)Ru(22)Cu(7), Al(70.5)Ru(17)Cu(12.5), and Al(70)Ru(10)Cu(20), were prepared by arc melting of the pure metal components. After leaching, the bimetallic residues were characterized principally by transmission XAS, "as-leached" and after annealing in H(2) (and passivation) in a thermobalance. XRD and BET revealed a nanocrystalline product with a native structure of hexagonal Ru. XPS surface analysis of Ru(22)Cu(7) and Ru(17)Cu(12.5) found only slight enrichment by Cu in the as-leached forms, with little change upon annealing. Ru(10)Cu(20) was highly segregated as-leached. XANES data showed preferential oxidation of Cu in Ru(22)Cu(7), implying that it exists as an encapsulating layer. TG data supports this view since it does not show the distinct two-stage O(2) uptake characteristic of skeletal Ru. Cu K-edge EXAFS data for Ru(22)Cu(7) were unique in showing a high proportion of Ru neighbours. The spacing, d(CuRu) = 2.65 A, was that expected from a hypothetical (ideal) solid solution at this composition, but this is unlikely in such a bulk-immiscible system and Ru K-edge EXAFS failed to confirm bulk alloying. Furthermore its invariance under annealing was more indicative of an interfacial bond between bulk components, although partial alloying with retention of local order cannot entirely be ruled out. The XAS and XPS data were reconciled in a model involving surface and bulk segregation, Cu being present at both the grain exterior and in ultra-fine internal pores. This structure can be considered as the 3-dimensional analogue of the classical type

Improvement of aerosol optical properties modeling over Eastern Asia with MODIS AOD assimilation in a global non-hydrostatic icosahedral aerosol transport model.

PubMed

Dai, Tie; Schutgens, Nick A J; Goto, Daisuke; Shi, Guangyu; Nakajima, Teruyuki

2014-12-01

A new global aerosol assimilation system adopting a more complex icosahedral grid configuration is developed. Sensitivity tests for the assimilation system are performed utilizing satellite retrieved aerosol optical depth (AOD) from the Moderate Resolution Imaging Spectroradiometer (MODIS), and the results over Eastern Asia are analyzed. The assimilated results are validated through independent Aerosol Robotic Network (AERONET) observations. Our results reveal that the ensemble and local patch sizes have little effect on the assimilation performance, whereas the ensemble perturbation method has the largest effect. Assimilation leads to significantly positive effect on the simulated AOD field, improving agreement with all of the 12 AERONET sites over the Eastern Asia based on both the correlation coefficient and the root mean square difference (assimilation efficiency). Meanwhile, better agreement of the Ångström Exponent (AE) field is achieved for 8 of the 12 sites due to the assimilation of AOD only. Copyright © 2014 Elsevier Ltd. All rights reserved.

Highly specific salt bridges govern bacteriophage P22 icosahedral capsid assembly: identification of the site in coat protein responsible for interaction with scaffolding protein.

PubMed

Cortines, Juliana R; Motwani, Tina; Vyas, Aashay A; Teschke, Carolyn M

2014-05-01

Icosahedral virus assembly requires a series of concerted and highly specific protein-protein interactions to produce a proper capsid. In bacteriophage P22, only coat protein (gp5) and scaffolding protein (gp8) are needed to assemble a procapsid-like particle, both in vivo and in vitro. In scaffolding protein's coat binding domain, residue R293 is required for procapsid assembly, while residue K296 is important but not essential. Here, we investigate the interaction of scaffolding protein with acidic residues in the N-arm of coat protein, since this interaction has been shown to be electrostatic. Through site-directed mutagenesis of genes 5 and 8, we show that changing coat protein N-arm residue 14 from aspartic acid to alanine causes a lethal phenotype. Coat protein residue D14 is shown by cross-linking to interact with scaffolding protein residue R293 and, thus, is intimately involved in proper procapsid assembly. To a lesser extent, coat protein N-arm residue E18 is also implicated in the interaction with scaffolding protein and is involved in capsid size determination, since a cysteine mutation at this site generated petite capsids. The final acidic residue in the N-arm that was tested, E15, is shown to only weakly interact with scaffolding protein's coat binding domain. This work supports growing evidence that surface charge density may be the driving force of virus capsid protein interactions. Bacteriophage P22 infects Salmonella enterica serovar Typhimurium and is a model for icosahedral viral capsid assembly. In this system, coat protein interacts with an internal scaffolding protein, triggering the assembly of an intermediate called a procapsid. Previously, we determined that there is a single amino acid in scaffolding protein required for P22 procapsid assembly, although others modulate affinity. Here, we identify partners in coat protein. We show experimentally that relatively weak interactions between coat and scaffolding proteins are capable of driving

Method of making quasicrystal alloy powder, protective coatings and articles

DOEpatents

Shield, Jeffrey E.; Goldman, Alan I.; Anderson, Iver E.; Ellis, Timothy W.; McCallum, R. William; Sordelet, Daniel J.

1995-07-18

A method of making quasicrystalline alloy particulates wherein an alloy is superheated and the melt is atomized to form generally spherical alloy particulates free of mechanical fracture and exhibiting a predominantly quasicrystalline in the atomized condition structure. The particulates can be plasma sprayed to form a coating or consolidated to form an article of manufacture.

First-principles study of configurational disorder in B4C using a superatom-special quasirandom structure method

NASA Astrophysics Data System (ADS)

Ektarawong, A.; Simak, S. I.; Hultman, L.; Birch, J.; Alling, B.

2014-07-01

Configurationally disordered crystalline boron carbide, with the composition B4C, is studied using first-principles calculations. We investigate both dilute and high concentrations of carbon-boron substitutional defects. For the latter purpose, we suggest a superatom's picture of the complex structure and combine it with a special quasirandom structure approach for disorder. In this way, we model a random distribution of high concentrations of the identified low-energy defects: (1) bipolar defects and (2) rotation of icosahedral carbon among the three polar-up sites. Additionally, the substitutional disorder of the icosahedral carbon at all six polar sites, as previously discussed in the literature, is also considered. Two configurational phase transitions from the ordered to the disordered configurations are predicted to take place upon an increase in temperature using a mean-field approximation for the entropy. The first transition, at 870 K, induces substitutional disorder of the icosahedral carbon atoms among the three polar-up sites; meanwhile the second transition, at 2325 K, reveals the random substitution of the icosahedral carbon atoms at all six polar sites coexisting with bipolar defects. Already the first transition removes the monoclinic distortion existing in the ordered ground-state configuration and restore the rhombohedral system (R3m). The restoration of inversion symmetry yielding the full rhombohedral symmetry (R3¯m ) on average, corresponding to what is reported in the literature, is achieved after the second transition. Investigating the effects of high pressure on the configurational stability of the disordered B4C phases reveals a tendency to stabilize the ordered ground-state configuration as the configurationally ordering/disordering transition temperature increases with pressure exerted on B4C. The electronic density of states, obtained from the disordered phases, indicates a sensitivity of the band gap to the degree of configurational

The effects of layers in dry snow on its passive microwave emissions using dense media radiative transfer theory based on the quasicrystalline approximation (QCA/DMRT)

USGS Publications Warehouse

Liang, D.; Xu, X.; Tsang, L.; Andreadis, K.M.; Josberger, E.G.

2008-01-01

A model for the microwave emissions of multilayer dry snowpacks, based on dense media radiative transfer (DMRT) theory with the quasicrystalline approximation (QCA), provides more accurate results when compared to emissions determined by a homogeneous snowpack and other scattering models. The DMRT model accounts for adhesive aggregate effects, which leads to dense media Mie scattering by using a sticky particle model. With the multilayer model, we examined both the frequency and polarization dependence of brightness temperatures (Tb's) from representative snowpacks and compared them to results from a single-layer model and found that the multilayer model predicts higher polarization differences, twice as much, and weaker frequency dependence. We also studied the temporal evolution of Tb from multilayer snowpacks. The difference between Tb's at 18.7 and 36.5 GHz can be S K lower than the single-layer model prediction in this paper. By using the snowpack observations from the Cold Land Processes Field Experiment as input for both multi- and single-layer models, it shows that the multilayer Tb's are in better agreement with the data than the single-layer model. With one set of physical parameters, the multilayer QCA/DMRT model matched all four channels of Tb observations simultaneously, whereas the single-layer model could only reproduce vertically polarized Tb's. Also, the polarization difference and frequency dependence were accurately matched by the multilayer model using the same set of physical parameters. Hence, algorithms for the retrieval of snowpack depth or water equivalent should be based on multilayer scattering models to achieve greater accuracy. ?? 2008 IEEE.

Method of making quasicrystal alloy powder, protective coatings and articles

DOEpatents

Shield, J.E.; Goldman, A.I.; Anderson, I.E.; Ellis, T.W.; McCallum, R.W.; Sordelet, D.J.

1995-07-18

A method of making quasicrystalline alloy particulates is disclosed wherein an alloy is superheated and the melt is atomized to form generally spherical alloy particulates free of mechanical fracture and exhibiting a predominantly quasicrystalline in the atomized condition structure. The particulates can be plasma sprayed to form a coating or consolidated to form an article of manufacture. 3 figs.

Formation of fivefold axes in the FCC-metal nanoclusters

NASA Astrophysics Data System (ADS)

Myasnichenko, Vladimir S.; Starostenkov, Mikhail D.

2012-11-01

Formation of atomistic structures of metallic Cu, Au, Ag clusters and bimetallic Cu-Au clusters was studied with the help of molecular dynamics using the many-body tight-binding interatomic potential. The simulation of the crystallization process of clusters with the number of atoms ranging from 300 to 1092 was carried out. The most stable configurations of atoms in the system, corresponding to the minimum of potential energy, was found during super-fast cooling from 1000 K. Atoms corresponding to fcc, hcp, and Ih phases were identified by the method of common neighbor analysis. Incomplete icosahedral core can be discovered at the intersection of one of the Ih axes with the surface of monometallic cluster. The decahedron-shaped structure of bimetallic Cu-Au cluster with seven completed icosahedral cores was obtained. The principles of the construction of small bimetallic clusters with icosahedral symmetry and increased fractal dimensionality were offered.

Assembly/disassembly of a complex icosahedral virus to incorporate heterologous nucleic acids

NASA Astrophysics Data System (ADS)

Pascual, Elena; Mata, Carlos P.; Carrascosa, José L.; Castón, José R.

2017-12-01

Hollow protein containers are widespread in nature, and include virus capsids as well as eukaryotic and bacterial complexes. Protein cages are studied extensively for applications in nanotechnology, nanomedicine and materials science. Their inner and outer surfaces can be modified chemically or genetically, and the internal cavity can be used to template, store and/or arrange molecular cargos. Virus capsids and virus-like particles (VLP, noninfectious particles) provide versatile platforms for nanoscale bioengineering. Study of capsid protein self-assembly into monodispersed particles, and of VLP structure and biophysics is necessary not only to understand natural processes, but also to infer how these platforms can be redesigned to furnish novel functional VLP. Here we address the assembly dynamics of infectious bursal disease virus (IBDV), a complex icosahedral virus. IBDV has a ~70 nm-diameter T  =  13 capsid with VP2 trimers as the only structural subunits. During capsid assembly, VP2 is synthesized as a precursor (pVP2) whose C terminus is cleaved. The pVP2 C terminus has an amphipathic helix that controls VP2 polymorphism. In the absence of the VP3 scaffolding protein, necessary for control of assembly, 466/456-residue pVP2 intermediates bearing this helix assemble into VLP only when expressed with an N-terminal His6 tag (the HT-VP2-466 protein). HT-VP2-466 capsids are optimal for genetic insertion of proteins (cargo space ~78 000 nm3). We established an in vitro assembly/disassembly system of HT-VP2-466-based VLP for heterologous nucleic acid packaging and/or encapsulation of drugs and other molecules. HT-VP2-466 (empty) capsids were disassembled and reassembled by dialysis against low-salt/basic pH and high-salt/acid pH buffers, respectively, thus illustrating the reversibility in vitro of IBDV capsid assembly. HT-VP2-466 VLP also packed heterologous DNA by non-specific confinement during assembly. These and previous results establish the bases

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.

Composition design for Laves phase-related body-centered cubic-V solid solution alloys with large hydrogen storage capacities.

PubMed

Wang, H B; Wang, Q; Dong, C; Yuan, L; Xu, F; Sun, L X

2008-03-19

This paper analyzes the characteristics of alloy compositions with large hydrogen storage capacities in Laves phase-related body-centered cubic (bcc) solid solution alloy systems using the cluster line approach. Since a dense-packed icosahedral cluster A(6)B(7) characterizes the local structure of AB(2) Laves phases, in an A-B-C ternary system, such as Ti-Cr (Mn, Fe)-V, where A-B forms AB(2) Laves phases while A-C and B-C tend to form solid solutions, a cluster line A(6)B(7)-C is constructed by linking A(6)B(7) to C. The alloy compositions with large hydrogen storage capacities are generally located near this line and are approximately expressed with the cluster-plus-glue-atom model. The cluster line alloys (Ti(6)Cr(7))(100-x)V(x) (x = 2.5-70 at.%) exhibit different structures and hence different hydrogen storage capacities with increasing V content. The alloys (Ti(6)Cr(7))(95)V(5) and Ti(30)Cr(40)V(30) with bcc solid solution structure satisfy the cluster-plus-glue-atom model.

Ab initio phasing by molecular averaging in real space with new criteria: application to structure determination of a betanodavirus.

PubMed

Yoshimura, Masato; Chen, Nai Chi; Guan, Hong Hsiang; Chuankhayan, Phimonphan; Lin, Chien Chih; Nakagawa, Atsushi; Chen, Chun Jung

2016-07-01

Molecular averaging, including noncrystallographic symmetry (NCS) averaging, is a powerful method for ab initio phase determination and phase improvement. Applications of the cross-crystal averaging (CCA) method have been shown to be effective for phase improvement after initial phasing by molecular replacement, isomorphous replacement, anomalous dispersion or combinations of these methods. Here, a two-step process for phase determination in the X-ray structural analysis of a new coat protein from a betanodavirus, Grouper nervous necrosis virus, is described in detail. The first step is ab initio structure determination of the T = 3 icosahedral virus-like particle using NCS averaging (NCSA). The second step involves structure determination of the protrusion domain of the viral molecule using cross-crystal averaging. In this method, molecular averaging and solvent flattening constrain the electron density in real space. To quantify these constraints, a new, simple and general indicator, free fraction (ff), is introduced, where ff is defined as the ratio of the volume of the electron density that is freely changed to the total volume of the crystal unit cell. This indicator is useful and effective to evaluate the strengths of both NCSA and CCA. Under the condition that a mask (envelope) covers the target molecule well, an ff value of less than 0.1, as a new rule of thumb, gives sufficient phasing power for the successful construction of new structures.

Ab initio phasing by molecular averaging in real space with new criteria: application to structure determination of a betanodavirus

PubMed Central

Yoshimura, Masato; Chen, Nai-Chi; Guan, Hong-Hsiang; Chuankhayan, Phimonphan; Lin, Chien-Chih; Nakagawa, Atsushi; Chen, Chun-Jung

2016-01-01

Molecular averaging, including noncrystallographic symmetry (NCS) averaging, is a powerful method for ab initio phase determination and phase improvement. Applications of the cross-crystal averaging (CCA) method have been shown to be effective for phase improvement after initial phasing by molecular replacement, isomorphous replacement, anomalous dispersion or combinations of these methods. Here, a two-step process for phase determination in the X-ray structural analysis of a new coat protein from a betanodavirus, Grouper nervous necrosis virus, is described in detail. The first step is ab initio structure determination of the T = 3 icosahedral virus-like particle using NCS averaging (NCSA). The second step involves structure determination of the protrusion domain of the viral molecule using cross-crystal averaging. In this method, molecular averaging and solvent flattening constrain the electron density in real space. To quantify these constraints, a new, simple and general indicator, free fraction (ff), is introduced, where ff is defined as the ratio of the volume of the electron density that is freely changed to the total volume of the crystal unit cell. This indicator is useful and effective to evaluate the strengths of both NCSA and CCA. Under the condition that a mask (envelope) covers the target molecule well, an ff value of less than 0.1, as a new rule of thumb, gives sufficient phasing power for the successful construction of new structures. PMID:27377380

Phase behavior of charged hydrophobic colloids on flat and spherical surfaces

NASA Astrophysics Data System (ADS)

Kelleher, Colm P.

For a broad class of two-dimensional (2D) materials, the transition from isotropic fluid to crystalline solid is described by the theory of melting due to Kosterlitz, Thouless, Halperin, Nelson and Young (KTHNY). According to this theory, long-range order is achieved via elimination of the topological defects which proliferate in the fluid phase. However, many natural and man-made 2D systems posses spatial curvature and/or non-trivial topology, which require the presence of topological defects, even at T=0. In principle, the presence of these defects could profoundly affect the phase behavior of such a system. In this thesis, we develop and characterize an experimental system of charged colloidal particles that bind electrostatically to the interface between an oil and an aqueous phase. Depending on how we prepare the sample, this fluid interface may be flat, spherical, or have a more complicated geometry. Focusing on the cases where the interface is flat or spherical, we measure the interactions between the particles, and probe various aspects of their phase behavior. On flat interfaces, this phase behavior is well-described by KTHNY theory. In spherical geometries, however, we observe spatial structures and inhomogeneous dynamics that cannot be captured by the measures traditionally used to describe flat-space phase behavior. We show that, in the spherical system, ordering is achieved by a novel mechanism: sequestration of topological defects into freely-terminating grain boundaries ("scars"), and simultaneous spatial organization of the scars themselves on the vertices of an icosahedron. The emergence of icosahedral order coincides with the localization of mobility into isolated "lakes" of fluid or glassy particles, situated at the icosahedron vertices. These lakes are embedded in a rigid, connected "continent" of locally crystalline particles.

Cooling rate dependence and local structure in aluminum monatomic metallic glass

NASA Astrophysics Data System (ADS)

Kbirou, M.; Trady, S.; Hasnaoui, A.; Mazroui, M.

2017-10-01

The local atomic structure in aluminium monatomic metallic glass is studied using molecular dynamics simulations combined with the embedded atom method (EAM). We have used a variety of analytical methods to characterise the atomic configurations of our system: the Pair Distribution Function (PDF), the Common Neighbour Analysis (CNA) and the Voronoi Tessellation Analysis. CNA was used to investigate the order change from liquid to amorphous phases, recognising that the amount of icosahedral clusters increases with the decrease of temperature. The Voronoi analysis revealed that the icosahedral-like polyhedral are the predominant ones. It has been observed that the PDF function shows a splitting in the second peak, which cannot be attributed to the only ideal icosahedral polyhedron 〈0, 0, 12, 0〉, but also to the formation of other Voronoi polyhedra 〈0, 1, 10, 2〉 . Further, the PDFs were then integrated giving the cumulative coordination number in order to compute the fractal dimension (df).

Improving the representation of mixed-phase cloud microphysics in the ICON-LEM

NASA Astrophysics Data System (ADS)

Tonttila, Juha; Hoose, Corinna; Milbrandt, Jason; Morrison, Hugh

2017-04-01

The representation of ice-phase cloud microphysics in ICON-LEM (the Large-Eddy Model configuration of the ICOsahedral Nonhydrostatic model) is improved by implementing the recently published Predicted Particle Properties (P3) scheme into the model. In the typical two-moment microphysical schemes, such as that previously used in ICON-LEM, ice-phase particles must be partitioned into several prescribed categories. It is inherently difficult to distinguish between categories such as graupel and hail based on just the particle size, yet this partitioning may significantly affect the simulation of convective clouds. The P3 scheme avoids the problems associated with predefined ice-phase categories that are inherent in traditional microphysics schemes by introducing the concept of "free" ice-phase categories, whereby the prognostic variables enable the prediction of a wide range of smoothly varying physical properties and hence particle types. To our knowledge, this is the first application of the P3 scheme in a large-eddy model with horizontal grid spacings on the order of 100 m. We will present results from ICON-LEM simulations with the new P3 scheme comprising idealized stratiform and convective cloud cases. We will also present real-case limited-area simulations focusing on the HOPE (HD(CP)2 Observational Prototype Experiment) intensive observation campaign. The results are compared with a matching set of simulations employing the two-moment scheme and the performance of the model is also evaluated against observations in the context of the HOPE simulations, comprising data from ground based remote sensing instruments.

The sensitivities of in cloud and cloud top phase distributions to primary ice formation in ICON-LEM

NASA Astrophysics Data System (ADS)

Beydoun, H.; Karrer, M.; Tonttila, J.; Hoose, C.

2017-12-01

Mixed phase clouds remain a leading source of uncertainty in our attempt to quantify cloud-climate and aerosol-cloud climate interactions. Nevertheless, recent advances in parametrizing the primary ice formation process, high resolution cloud modelling, and retrievals of cloud phase distributions from satellite data offer an excellent opportunity to conduct closure studies on the sensitivity of the cloud phase to microphysical and dynamical processes. Particularly, the reliability of satellite data to resolve the phase at the top of the cloud provides a promising benchmark to compare model output to. We run large eddy simulations with the new ICOsahedral Non-hydrostatic atmosphere model (ICON) to place bounds on the sensitivity of in cloud and cloud top phase to the primary ice formation process. State of the art primary ice formation parametrizations in the form of the cumulative ice active site density ns are implemented in idealized deep convective cloud simulations. We exploit the ability of ICON-LEM to switch between a two moment microphysics scheme and the newly developed Predicted Particle Properties (P3) scheme by running our simulations in both configurations for comparison. To quantify the sensitivity of cloud phase to primary ice formation, cloud ice content is evaluated against order of magnitude changes in ns at variable convective strengths. Furthermore, we assess differences between in cloud and cloud top phase distributions as well as the potential impact of updraft velocity on the suppression of the Wegener-Bergeron-Findeisen process. The study aims to evaluate our practical understanding of primary ice formation in the context of predicting the structure and evolution of mixed phase clouds.

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

NASA Astrophysics Data System (ADS)

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

2017-07-01

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

A mimetic, semi-implicit, forward-in-time, finite volume shallow water model: comparison of hexagonal-icosahedral and cubed sphere grids

NASA Astrophysics Data System (ADS)

Thuburn, J.; Cotter, C. J.; Dubos, T.

2013-12-01

A new algorithm is presented for the solution of the shallow water equations on quasi-uniform spherical grids. It combines a mimetic finite volume spatial discretization with a Crank-Nicolson time discretization of fast waves and an accurate and conservative forward-in-time advection scheme for mass and potential vorticity (PV). The algorithm is implemented and tested on two families of grids: hexagonal-icosahedral Voronoi grids, and modified equiangular cubed-sphere grids. Results of a variety of tests are presented, including convergence of the discrete scalar Laplacian and Coriolis operators, advection, solid body rotation, flow over an isolated mountain, and a barotropically unstable jet. The results confirm a number of desirable properties for which the scheme was designed: exact mass conservation, very good available energy and potential enstrophy conservation, consistent mass, PV and tracer transport, and good preservation of balance including vanishing ∇ × ∇, steady geostrophic modes, and accurate PV advection. The scheme is stable for large wave Courant numbers and advective Courant numbers up to about 1. In the most idealized tests the overall accuracy of the scheme appears to be limited by the accuracy of the Coriolis and other mimetic spatial operators, particularly on the cubed sphere grid. On the hexagonal grid there is no evidence for damaging effects of computational Rossby modes, despite attempts to force them explicitly.

A mimetic, semi-implicit, forward-in-time, finite volume shallow water model: comparison of hexagonal-icosahedral and cubed-sphere grids

NASA Astrophysics Data System (ADS)

Thuburn, J.; Cotter, C. J.; Dubos, T.

2014-05-01

A new algorithm is presented for the solution of the shallow water equations on quasi-uniform spherical grids. It combines a mimetic finite volume spatial discretization with a Crank-Nicolson time discretization of fast waves and an accurate and conservative forward-in-time advection scheme for mass and potential vorticity (PV). The algorithm is implemented and tested on two families of grids: hexagonal-icosahedral Voronoi grids, and modified equiangular cubed-sphere grids. Results of a variety of tests are presented, including convergence of the discrete scalar Laplacian and Coriolis operators, advection, solid body rotation, flow over an isolated mountain, and a barotropically unstable jet. The results confirm a number of desirable properties for which the scheme was designed: exact mass conservation, very good available energy and potential enstrophy conservation, consistent mass, PV and tracer transport, and good preservation of balance including vanishing ∇ × ∇, steady geostrophic modes, and accurate PV advection. The scheme is stable for large wave Courant numbers and advective Courant numbers up to about 1. In the most idealized tests the overall accuracy of the scheme appears to be limited by the accuracy of the Coriolis and other mimetic spatial operators, particularly on the cubed-sphere grid. On the hexagonal grid there is no evidence for damaging effects of computational Rossby modes, despite attempts to force them explicitly.

Theory of morphological transformation of viral capsid shell during the maturation process in the HK97 bacteriophage and similar viruses

NASA Astrophysics Data System (ADS)

Konevtsova, O. V.; Lorman, V. L.; Rochal, S. B.

2016-05-01

We consider the symmetry and physical origin of collective displacement modes playing a crucial role in the morphological transformation during the maturation of the HK97 bacteriophage and similar viruses. It is shown that the experimentally observed hexamer deformation and pentamer twist in the HK97 procapsid correspond to the simplest irreducible shear strain mode of a spherical shell. We also show that the icosahedral faceting of the bacteriophage capsid shell is driven by the simplest irreducible radial displacement field. The shear field has the rotational icosahedral symmetry group I while the radial field has the full icosahedral symmetry Ih. This difference makes their actions independent. The radial field sign discriminates between the icosahedral and the dodecahedral shapes of the faceted capsid shell, thus making the approach relevant not only for the HK97-like viruses but also for the parvovirus family. In the frame of the Landau-Ginzburg formalism we propose a simple phenomenological model valid for the first reversible step of the HK97 maturation process. The calculated phase diagram illustrates the discontinuous character of the virus shape transformation. The characteristics of the virus shell faceting and expansion obtained in the in vitro and in vivo experiments are related to the decrease in the capsid shell thickness and to the increase of the internal capsid pressure.

Structural models of increasing complexity for icosahedral boron carbide with compositions throughout the single-phase region from first principles

NASA Astrophysics Data System (ADS)

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

2018-05-01

We perform first-principles calculations to investigate the phase stability of boron carbide, concentrating on the recently proposed alternative structural models composed not only of the regularly studied B11Cp (CBC) and B12(CBC), but also of B12(CBCB) and B12( B4 ). We find that a combination of the four structural motifs can result in low-energy electron precise configurations of boron carbide. Among several considered configurations within the composition range of B10.5C and B4C , we identify in addition to the regularly studied B11Cp (CBC) at the composition of B4C two low-energy configurations, resulting in a new view of the B-C convex hull. Those are [B12 (CBC)]0.67[B12(B4)] 0.33 and [B12 (CBC)]0.67[ B12 (CBCB)]0.33, corresponding to compositions of B10.5C and B6.67C , respectively. As a consequence, B12(CBC) at the composition of B6.5C , previously suggested in the literature as a stable configuration of boron carbide, is no longer part of the B -C convex hull. By inspecting the electronic density of states as well as the elastic moduli, we find that the alternative models of boron carbide can provide a reasonably good description for electronic and elastic properties of the material in comparison with the experiments, highlighting the importance of considering B12(CBCB) and B12( B4 ), together with the previously proposed B11Cp (CBC) and B12(CBC), as the crucial ingredients for modeling boron carbide with compositions throughout the single-phase region.

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.

Using polymerization, glass structure, and quasicrystalline theory to produce high level radioactive borosilicate glass remotely: a 20+ year legacy

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

Jantzen, Carol M.

Vitrification is currently the most widely used technology for the treatment of high level radioactive wastes (HLW) throughout the world. Most of the nations that have generated HLW are immobilizing in borosilicate glass. One of the primary reasons that glass has become the most widely used immobilization media is the relative simplicity of the vitrification process, e.g. melt a highly variable waste with some glass forming additives such as SiO 2 and B 2O 3 in the form of a premelted frit and pour the molten mixture into a stainless steel canister. Seal the canister before moisture can enter themore » canister (10’ tall by 2’ in diameter) so the canister does not corrode from the inside out. Glass has also become widely used for HLW is that due to the fact that the short range order (SRO) and medium range order (MRO) found in the structure of glass atomistically bonds the radionuclides and hazardous species in the waste. The SRO and MRO have also been found to govern the melt properties such as viscosity and resistivity of the melt and the crystallization potential and solubility of certain species. Furthermore, the molecular structure of the glass also controls the glass durability, i.e. the contaminant/radionuclide release, by establishing the distribution of ion exchange sites, hydrolysis sites, and the access of water to those sites. The molecular structure is flexible and hence accounts for the flexibility of glass formulations to HLW waste variability. Nuclear waste glasses melt between 1050-1150°C which minimizes the volatility of radioactive components such as 99Tc, 137Cs, and 129I. Nuclear waste glasses have good long term stability including irradiation resistance. Process control models were developed based on the molecular structure of glass, polymerization theory of glass, and quasicrystalline theory of glass crystallization. These models create a glass which is durable, pourable, and processable with 95% accuracy without knowing from batch to

Using polymerization, glass structure, and quasicrystalline theory to produce high level radioactive borosilicate glass remotely: a 20+ year legacy

DOE PAGES

Jantzen, Carol M.

2017-03-27

Vitrification is currently the most widely used technology for the treatment of high level radioactive wastes (HLW) throughout the world. Most of the nations that have generated HLW are immobilizing in borosilicate glass. One of the primary reasons that glass has become the most widely used immobilization media is the relative simplicity of the vitrification process, e.g. melt a highly variable waste with some glass forming additives such as SiO 2 and B 2O 3 in the form of a premelted frit and pour the molten mixture into a stainless steel canister. Seal the canister before moisture can enter themore » canister (10’ tall by 2’ in diameter) so the canister does not corrode from the inside out. Glass has also become widely used for HLW is that due to the fact that the short range order (SRO) and medium range order (MRO) found in the structure of glass atomistically bonds the radionuclides and hazardous species in the waste. The SRO and MRO have also been found to govern the melt properties such as viscosity and resistivity of the melt and the crystallization potential and solubility of certain species. Furthermore, the molecular structure of the glass also controls the glass durability, i.e. the contaminant/radionuclide release, by establishing the distribution of ion exchange sites, hydrolysis sites, and the access of water to those sites. The molecular structure is flexible and hence accounts for the flexibility of glass formulations to HLW waste variability. Nuclear waste glasses melt between 1050-1150°C which minimizes the volatility of radioactive components such as 99Tc, 137Cs, and 129I. Nuclear waste glasses have good long term stability including irradiation resistance. Process control models were developed based on the molecular structure of glass, polymerization theory of glass, and quasicrystalline theory of glass crystallization. These models create a glass which is durable, pourable, and processable with 95% accuracy without knowing from batch to

Extending High-Order Flux Operators on Spherical Icosahedral Grids and Their Applications in the Framework of a Shallow Water Model

NASA Astrophysics Data System (ADS)

Zhang, Yi

2018-01-01

This study extends a set of unstructured third/fourth-order flux operators on spherical icosahedral grids from two perspectives. First, the fifth-order and sixth-order flux operators of this kind are further extended, and the nominally second-order to sixth-order operators are then compared based on the solid body rotation and deformational flow tests. Results show that increasing the nominal order generally leads to smaller absolute errors. Overall, the standard fifth-order scheme generates the smallest errors in limited and unlimited tests, although it does not enhance the convergence rate. Even-order operators show higher limiter sensitivity than the odd-order operators. Second, a triangular version of these high-order operators is repurposed for transporting the potential vorticity in a space-time-split shallow water framework. Results show that a class of nominally third-order upwind-biased operators generates better results than second-order and fourth-order counterparts. The increase of the potential enstrophy over time is suppressed owing to the damping effect. The grid-scale noise in the vorticity is largely alleviated, and the total energy remains conserved. Moreover, models using high-order operators show smaller numerical errors in the vorticity field because of a more accurate representation of the nonlinear Coriolis term. This improvement is especially evident in the Rossby-Haurwitz wave test, in which the fluid is highly rotating. Overall, high-order flux operators with higher damping coefficients, which essentially behave like the Anticipated Potential Vorticity Method, present better results.

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.

Role of Hf on Phase Formation in Ti45Zr(38-x)Hf(x)Ni17 Liquids and Solids

NASA Technical Reports Server (NTRS)

Wessels, V.; Sahu, K. K.; Gangopadhyay, A. K.; Huett, V. T.; Canepari, S.; Goldman, A. I.; Hyers, R. W.; Kramer, M. J.; Rogers, J. R.; Kelton, K. F.;

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.

Alumina nanowire growth by water decomposition and the peritectic reaction of decagonal Al{sub 65}Cu{sub 15}Co{sub 20} quasicrystals

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

Téllez-Vázquez, J.O., E-mail: oswald.tellez@gmail.com; Patiño-Carachure, C., E-mail: cpatino@pampano.unacar.mx; Rosas, G., E-mail: grtrejo@yahoo07.com.mx

2016-02-15

In this paper, the results of the Al{sub 2}O{sub 3} nanowires' growth through a chemical reaction between Al and water vapor at 1050 °C are presented. Our approach is based on two primary considerations. First, at room temperature, the Al{sub 65}Cu{sub 15}Co{sub 20} alloy is affected by the following mechanism: 2Al (s) + 3H{sub 2}O (g) → Al{sub 2}O{sub 3} (s) + H{sub 2} (g). In this reaction, the released hydrogen induces cleavage fracture of the material to form small particles. Second, the Al{sub 65}Cu{sub 15}Co{sub 20} quasicrystalline phase is transformed on heating to liquid + Al (Cu, Co) cubicmore » phase through a peritectic reaction at 1050 °C. The Al-rich liquid then reacts with water vapor, forming Al{sub 2}O{sub 3} nanowires. X-ray diffraction (XRD) analysis shows that the formed nanowires have a hexagonal structure, and infrared analysis further confirms the presence of α-Al{sub 2}O{sub 3} phase in the final products. Transmission electron microscopy observations show that nanoparticles are present at the end of nanowires, suggesting the VLS growth mechanism. Elemental analysis by energy dispersive spectroscopy (EDS) indicates that the particles at the tip of the nanowires are mainly formed by Co and Cu alloying elements and small amounts of Al. Electron microscopy observations showed nanowires with diameters ranging from 20 to 70 nm; the average diameter was 37 nm and the nanowire lengths were up to several micrometers. - Highlights: • Hexagonal alumina nanowires are grown at 1050 °C through the VLS process. • Alumina nanowires are obtained by the decomposition of decagonal quasicrystalline phase. • The decagonal phase decomposition follows a peritectic reaction at 1030 °C. • Nanoparticles are obtained by hydrogen embrittlement mechanism. • The nanoparticles catalyze the water decomposition to form wires.« less

Structure and Mechanical Properties of Al-Cu-Fe-X Alloys with Excellent Thermal Stability.

PubMed

Školáková, Andrea; Novák, Pavel; Mejzlíková, Lucie; Průša, Filip; Salvetr, Pavel; Vojtěch, Dalibor

2017-11-05

In this work, the structure and mechanical properties of innovative Al-Cu-Fe based alloys were studied. We focused on preparation and characterization of rapidly solidified and hot extruded Al-Cu-Fe, Al-Cu-Fe-Ni and Al-Cu-Fe-Cr alloys. The content of transition metals affects mechanical properties and structure. For this reason, microstructure, phase composition, hardness and thermal stability have been investigated in this study. The results showed exceptional thermal stability of these alloys and very good values of mechanical properties. Alloying by chromium ensured the highest thermal stability, while nickel addition refined the structure of the consolidated alloy. High thermal stability of all tested alloys was described in context with the transformation of the quasicrystalline phases to other types of intermetallics.

Structure and Mechanical Properties of Al-Cu-Fe-X Alloys with Excellent Thermal Stability

PubMed Central

Školáková, Andrea; Novák, Pavel; Mejzlíková, Lucie; Průša, Filip; Salvetr, Pavel; Vojtěch, Dalibor

2017-01-01

In this work, the structure and mechanical properties of innovative Al-Cu-Fe based alloys were studied. We focused on preparation and characterization of rapidly solidified and hot extruded Al-Cu-Fe, Al-Cu-Fe-Ni and Al-Cu-Fe-Cr alloys. The content of transition metals affects mechanical properties and structure. For this reason, microstructure, phase composition, hardness and thermal stability have been investigated in this study. The results showed exceptional thermal stability of these alloys and very good values of mechanical properties. Alloying by chromium ensured the highest thermal stability, while nickel addition refined the structure of the consolidated alloy. High thermal stability of all tested alloys was described in context with the transformation of the quasicrystalline phases to other types of intermetallics. PMID:29113096

Strategies for the crystallization of viruses: using phase diagrams and gels to produce 3D crystals of Grapevine fanleaf virus.

PubMed

Schellenberger, Pascale; Demangeat, Gérard; Lemaire, Olivier; Ritzenthaler, Christophe; Bergdoll, Marc; Oliéric, Vincent; Sauter, Claude; Lorber, Bernard

2011-05-01

The small icosahedral plant RNA nepovirus Grapevine fanleaf virus (GFLV) is specifically transmitted by a nematode and causes major damage to vineyards worldwide. To elucidate the molecular mechanisms underlying the recognition between the surface of its protein capsid and cellular components of its vector, host and viral proteins synthesized upon infection, the wild type GFLV strain F13 and a natural mutant (GFLV-TD) carrying a Gly₂₉₇Asp mutation were purified, characterized and crystallized. Subsequently, the geometry and volume of their crystals was optimized by establishing phase diagrams. GFLV-TD was twice as soluble as the parent virus in the crystallization solution and its crystals diffracted X-rays to a resolution of 2.7 Å. The diffraction limit of GFLV-F13 crystals was extended from 5.5 to 3 Å by growth in agarose gel. Preliminary crystallographic analyses indicate that both types of crystals are suitable for structure determination. Keys for the successful production of GFLV crystals include the rigorous quality control of virus preparations, crystal quality improvement using phase diagrams, and crystal lattice reinforcement by growth in agarose gel. These strategies are applicable to the production of well-diffracting crystals of other viruses and macromolecular assemblies. Copyright © 2011 Elsevier Inc. All rights reserved.

Model Parameter Estimation Using Ensemble Data Assimilation: A Case with the Nonhydrostatic Icosahedral Atmospheric Model NICAM and the Global Satellite Mapping of Precipitation Data

NASA Astrophysics Data System (ADS)

Kotsuki, Shunji; Terasaki, Koji; Yashiro, Hasashi; Tomita, Hirofumi; Satoh, Masaki; Miyoshi, Takemasa

2017-04-01

This study aims to improve precipitation forecasts from numerical weather prediction (NWP) models through effective use of satellite-derived precipitation data. Kotsuki et al. (2016, JGR-A) successfully improved the precipitation forecasts by assimilating the Japan Aerospace eXploration Agency (JAXA)'s Global Satellite Mapping of Precipitation (GSMaP) data into the Nonhydrostatic Icosahedral Atmospheric Model (NICAM) at 112-km horizontal resolution. Kotsuki et al. mitigated the non-Gaussianity of the precipitation variables by the Gaussian transform method for observed and forecasted precipitation using the previous 30-day precipitation data. This study extends the previous study by Kotsuki et al. and explores an online estimation of model parameters using ensemble data assimilation. We choose two globally-uniform parameters, one is the cloud-to-rain auto-conversion parameter of the Berry's scheme for large scale condensation and the other is the relative humidity threshold of the Arakawa-Schubert cumulus parameterization scheme. We perform the online-estimation of the two model parameters with an ensemble transform Kalman filter by assimilating the GSMaP precipitation data. The estimated parameters improve the analyzed and forecasted mixing ratio in the lower troposphere. Therefore, the parameter estimation would be a useful technique to improve the NWP models and their forecasts. This presentation will include the most recent progress up to the time of the symposium.

Theoretical and Numerical Modeling of faceted Ionic crystalline vesicles

NASA Astrophysics Data System (ADS)

Olvera de La Cruz, Monica

2007-03-01

Icosahedral shape is found in several natural structures including large viruses, large fullerenes and cationic-anionic vesicles. Faceting into icosahedral shape can occur in large crystalline membranes via elasticity theory. Icosahedral symmetry is found in small systems of particles with short-range interactions on a sphere. Dr G. Vernizzi and I show a novel electrostatic-driven mechanism of ionic crystalline shells faceting into icosahedral shapes even for systems with a small number of particles. Icosahedral shape is possible in cationic and anionic molecules adsorbed onto spherical interfaces, such as emulsions or other immiscible liquid droplets because the large concentration of charges at the interface can lead to ionic crystals on the curved interface. Such self-organized ionic structures favors the formation of flat surfaces. We find that these ionic crystalline shells can have lower energy when faceted into icosahedra along particular directions. Indeed, the ``ionic'' buckling is driven by preferred bending directions of the planar ionic structure, along which is more likely for the icosahedral shape to develop an edge. Since only certain orientations are allowed, rotational symmetry is broken. One can hope to exploit this mechanism to generate functional materials where, for instance, proteins with specific charge groups can orient at specific directions along an icosahedral cationic-anionic vesicle.

Structure of epsilon15 bacteriophage reveals genome organization and DNA packaging/injection apparatus

NASA Astrophysics Data System (ADS)

Jiang, Wen; Chang, Juan; Jakana, Joanita; Weigele, Peter; King, Jonathan; Chiu, Wah

2006-02-01

The critical viral components for packaging DNA, recognizing and binding to host cells, and injecting the condensed DNA into the host are organized at a single vertex of many icosahedral viruses. These component structures do not share icosahedral symmetry and cannot be resolved using a conventional icosahedral averaging method. Here we report the structure of the entire infectious Salmonella bacteriophage epsilon15 (ref. 1) determined from single-particle cryo-electron microscopy, without icosahedral averaging. This structure displays not only the icosahedral shell of 60 hexamers and 11 pentamers, but also the non-icosahedral components at one pentameric vertex. The densities at this vertex can be identified as the 12-subunit portal complex sandwiched between an internal cylindrical core and an external tail hub connecting to six projecting trimeric tailspikes. The viral genome is packed as coaxial coils in at least three outer layers with ~90 terminal nucleotides extending through the protein core and the portal complex and poised for injection. The shell protein from icosahedral reconstruction at higher resolution exhibits a similar fold to that of other double-stranded DNA viruses including herpesvirus, suggesting a common ancestor among these diverse viruses. The image reconstruction approach should be applicable to studying other biological nanomachines with components of mixed symmetries.

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.

The Crystallographic Structure of Panicum Mosaic Virus (PMV)

PubMed Central

Makino, Debora L.; Larson, Steven B.; McPherson, Alexander

2012-01-01

The structure of Panicum Mosaic Virus (PMV) was determined by X-ray diffraction analysis to 2.9 Å resolution. The crystals were of pseudo symmetry F23; the true crystallographic unit cell was of space group P21 with a=411.7 Å, b=403.9 Å and c=412.5 Å, with β=89.7°. The asymmetric unit was two entire T=3 virus particles, or 360 protein subunits. The structure was solved by conventional molecular replacement from two distant homologues, Cocksfoot Mottle Virus (CfMV) and Tobacco Necrosis Virus (TNV), of ~20% sequence identity followed by phase extension. The model was initially refined with exact icosahedral constraints and then with icosahedral restraints. The virus has Ca++ ions octahedrally coordinated by six aspartic acid residues on quasi threefold axes, which is completely different than for either CfMV or TNV. Amino terminal residues 1–53, 1–49 and 1-21 of the A, B and C subunits, respectively, and the four C-terminal residues (239-242) are not visible in electron density maps. The additional ordered residues of the C chain form a prominent “arm” that intertwines with symmetry equivalent “arms” at icosahedral threefold axes, as was seen in both CfMV and TNV. A 17 nucleotide hairpin segment of genomic RNA is icosahedrally ordered and bound at 60 equivalent sites at quasi twofold A–B subunit interfaces at the interior surface of the capsid. This segment of RNA may serve as a conformational switch for coat protein subunits, as has been proposed for similar RNA segments in other viruses. PMID:23123270

Thermal processing of diblock copolymer melts mimics metallurgy

NASA Astrophysics Data System (ADS)

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

2017-05-01

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

Extending high-order flux operators on spherical icosahedral grids and their application in a Shallow Water Model for transporting the Potential Vorticity

NASA Astrophysics Data System (ADS)

Zhang, Y.

2017-12-01

The unstructured formulation of the third/fourth-order flux operators used by the Advanced Research WRF is extended twofold on spherical icosahedral grids. First, the fifth- and sixth-order flux operators of WRF are further extended, and the nominally second- to sixth-order operators are then compared based on the solid body rotation and deformational flow tests. Results show that increasing the nominal order generally leads to smaller absolute errors. Overall, the fifth-order scheme generates the smallest errors in limited and unlimited tests, although it does not enhance the convergence rate. The fifth-order scheme also exhibits smaller sensitivity to the damping coefficient than the third-order scheme. Overall, the even-order schemes have higher limiter sensitivity than the odd-order schemes. Second, a triangular version of these high-order operators is repurposed for transporting the potential vorticity in a space-time-split shallow water framework. Results show that a class of nominally third-order upwind-biased operators generates better results than second- and fourth-order counterparts. The increase of the potential enstrophy over time is suppressed owing to the damping effect. The grid-scale noise in the vorticity is largely alleviated, and the total energy remains conserved. Moreover, models using high-order operators show smaller numerical errors in the vorticity field because of a more accurate representation of the nonlinear Coriolis term. This improvement is especially evident in the Rossby-Haurwitz wave test, in which the fluid is highly rotating. Overall, flux operators with higher damping coefficients, which essentially behaves like the Anticipated Potential Vorticity Method, present optimal results.

Use of ion-mobility mass spectrometry (IMS-MS) to map polyoxometalate Keplerate clusters and their supramolecular assemblies.

PubMed

Robbins, Philip J; Surman, Andrew J; Thiel, Johannes; Long, De-Liang; Cronin, Leroy

2013-03-07

We present the high-resolution (HRES-MS) and ion-mobility (IMS-MS) mass spectrometry studies of icosahedral nanoscale polyoxometalate-based {L(30)}{(Mo)Mo(5)} Keplerate clusters, and demonstrate the use of IMS-MS to resolve and map intact nanoclusters, and its potential for the discovery of new structures, in this case the first gas phase observation of 'proto-clustering' of higher order Keplerate supramolecular aggregates.

A diagnostic interface for the ICOsahedral Non-hydrostatic (ICON) modelling framework based on the Modular Earth Submodel System (MESSy v2.50)

NASA Astrophysics Data System (ADS)

Kern, Bastian; Jöckel, Patrick

2016-10-01

Numerical climate and weather models have advanced to finer scales, accompanied by large amounts of output data. The model systems hit the input and output (I/O) bottleneck of modern high-performance computing (HPC) systems. We aim to apply diagnostic methods online during the model simulation instead of applying them as a post-processing step to written output data, to reduce the amount of I/O. To include diagnostic tools into the model system, we implemented a standardised, easy-to-use interface based on the Modular Earth Submodel System (MESSy) into the ICOsahedral Non-hydrostatic (ICON) modelling framework. The integration of the diagnostic interface into the model system is briefly described. Furthermore, we present a prototype implementation of an advanced online diagnostic tool for the aggregation of model data onto a user-defined regular coarse grid. This diagnostic tool will be used to reduce the amount of model output in future simulations. Performance tests of the interface and of two different diagnostic tools show, that the interface itself introduces no overhead in form of additional runtime to the model system. The diagnostic tools, however, have significant impact on the model system's runtime. This overhead strongly depends on the characteristics and implementation of the diagnostic tool. A diagnostic tool with high inter-process communication introduces large overhead, whereas the additional runtime of a diagnostic tool without inter-process communication is low. We briefly describe our efforts to reduce the additional runtime from the diagnostic tools, and present a brief analysis of memory consumption. Future work will focus on optimisation of the memory footprint and the I/O operations of the diagnostic interface.

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

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

Potential Applications of Quasicrystalline Materials

NASA Astrophysics Data System (ADS)

Dubois, Jean-Marie; Brunet, Pierre; Belin-FerrÉ, Esther

Since their first public report by the end of 1984, quasicrystailine materials were dreamt of for a variety of possible technological applications. These may be categorized in two broad families: coatings, already secured in a patent in 1988, and composites, appeared more recently. A few examples of products derived from such materials are now on the market. The aim of this chapter is to give insight into a few central questions that arise along with the technological prospects of quasicrystals, namely alloy design, thin films, industrial processing of thick coatings, surface preparation and properties, and new potential applications.

Average crystal structure(s) of the embedded meta stable η‧-phase in the Al-Mg-Zn system

NASA Astrophysics Data System (ADS)

Bøvik Larsen, Helge; Thorkildsen, Gunnar; Natland, Sølvi; Pattison, Philip

2014-05-01

Meta stable embedded nano-sized ?-particles within a single grain extracted from an alloy having the nominal composition ? have been examined with X-ray diffraction. By applying the orientational and metric relationships that exist between the hexagonal unit cell of the ?-particles and the cubic unit cell of the Al-matrix, it has been proven possible to directly collect diffracted intensity data from the ?-particle ensemble. This has been done using synchrotron radiation and a ?-diffractometer having a scintillator point detector setup. The approach has resulted in improved data quality compared to previous experiments. The interpretation of the data set, based on a combination of Patterson syntheses, direct methods and geometrical restraints, yielded two possible average structural representations: one Al-rich with the approximate stoichiometric composition ? and one Al-depleted with approximate stoichiometric composition ?. Both structures are realized in the same space group, ?, and are most probably superimposed in the crystalline system examined. The geometries are discussed within the atomic environment approach where icosahedral or near-icosahedral configurations are encountered. Comparison with previous published models and the equilibrium structure reveals a main difference related to the distribution of the Zn-sites in the unit cell. A possible transformation path is also suggested. Various aspects and challenges regarding data collection, data reduction and data quality are specifically addressed.

Structure-Based Mutagenesis of Sulfolobus Turreted Icosahedral Virus B204 Reveals Essential Residues in the Virion-Associated DNA-Packaging ATPase.

PubMed

Dellas, Nikki; Snyder, Jamie C; Dills, Michael; Nicolay, Sheena J; Kerchner, Keshia M; Brumfield, Susan K; Lawrence, C Martin; Young, Mark J

2015-12-23

Sulfolobus turreted icosahedral virus (STIV), an archaeal virus that infects the hyperthermoacidophile Sulfolobus solfataricus, is one of the most well-studied viruses of the domain Archaea. STIV shares structural, morphological, and sequence similarities with viruses from other domains of life, all of which are thought to belong to the same viral lineage. Several of these common features include a conserved coat protein fold, an internal lipid membrane, and a DNA-packaging ATPase. B204 is the ATPase encoded by STIV and is thought to drive packaging of viral DNA during the replication process. Here, we report the crystal structure of B204 along with the biochemical analysis of B204 mutants chosen based on structural information and sequence conservation patterns observed among members of the same viral lineage and the larger FtsK/HerA superfamily to which B204 belongs. Both in vitro ATPase activity assays and transfection assays with mutant forms of B204 confirmed the essentiality of conserved and nonconserved positions. We also have identified two distinct particle morphologies during an STIV infection that differ in the presence or absence of the B204 protein. The biochemical and structural data presented here are not only informative for the STIV replication process but also can be useful in deciphering DNA-packaging mechanisms for other viruses belonging to this lineage. STIV is a virus that infects a host from the domain Archaea that replicates in high-temperature, acidic environments. While STIV has many unique features, there exist several striking similarities between this virus and others that replicate in different environments and infect a broad range of hosts from Bacteria and Eukarya. Aside from structural features shared by viruses from this lineage, there exists a significant level of sequence similarity between the ATPase genes carried by these different viruses; this gene encodes an enzyme thought to provide energy that drives DNA packaging into

Analysis of boron carbides' electronic structure

NASA Technical Reports Server (NTRS)

Howard, Iris A.; Beckel, Charles L.

1986-01-01

The electronic properties of boron-rich icosahedral clusters were studied as a means of understanding the electronic structure of the icosahedral borides such as boron carbide. A lower bound was estimated on bipolaron formation energies in B12 and B11C icosahedra, and the associated distortions. While the magnitude of the distortion associated with bipolaron formation is similar in both cases, the calculated formation energies differ greatly, formation being much more favorable on B11C icosahedra. The stable positions of a divalent atom relative to an icosahedral borane was also investigated, with the result that a stable energy minimum was found when the atom is at the center of the borane, internal to the B12 cage. If incorporation of dopant atoms into B12 cages in icosahedral boride solids is feasible, novel materials might result. In addition, the normal modes of a B12H12 cluster, of the C2B10 cage in para-carborane, and of a B12 icosahedron of reduced (D sub 3d) symmetry, such as is found in the icosahedral borides, were calculated. The nature of these vibrational modes will be important in determining, for instance, the character of the electron-lattice coupling in the borides, and in analyzing the lattice contribution to the thermal conductivity.

Self-organized molecular films with long-range quasiperiodic order.

PubMed

Fournée, Vincent; Gaudry, Émilie; Ledieu, Julian; de Weerd, Marie-Cécile; Wu, Dongmei; Lograsso, Thomas

2014-04-22

Self-organized molecular films with long-range quasiperiodic order have been grown by using the complex potential energy landscape of quasicrystalline surfaces as templates. The long-range order arises from a specific subset of quasilattice sites acting as preferred adsorption sites for the molecules, thus enforcing a quasiperiodic structure in the film. These adsorption sites exhibit a local 5-fold symmetry resulting from the cut by the surface plane through the cluster units identified in the bulk solid. Symmetry matching between the C60 fullerene and the substrate leads to a preferred adsorption configuration of the molecules with a pentagonal face down, a feature unique to quasicrystalline surfaces, enabling efficient chemical bonding at the molecule-substrate interface. This finding offers opportunities to investigate the physical properties of model 2D quasiperiodic systems, as the molecules can be functionalized to yield architectures with tailor-made properties.

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.

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.

Theoretical Problems in Materials Science

NASA Technical Reports Server (NTRS)

Langer, J. S.; Glicksman, M. E.

1985-01-01

Interactions between theoretical physics and material sciences to identify problems of common interest in which some of the powerful theoretical approaches developed for other branches of physics may be applied to problems in materials science are presented. A unique structure was identified in rapidly quenched Al-14% Mn. The material has long-range directed bonds with icosahedral symmetry which does not form a regular structure but instead forms an amorphous-like quasiperiodic structure. Finite volume fractions of second phase material is advanced and is coupled with nucleation theory to describe the formation and structure of precipitating phases in alloys. Application of the theory of pattern formation to the problem of dendrite formation is studied.

Unparalleled lithium and sodium superionic conduction in solid electrolytes with large monovalent cage-like anions

DOE PAGES

Tang, Wan Si; Unemoto, Atsushi; Zhou, Wei; ...

2015-10-08

Solid electrolytes with sufficiently high conductivities and stabilities are the elusive answer to the inherent shortcomings of organic liquid electrolytes prevalent in today's rechargeable batteries. We recently revealed a novel fast-ion-conducting sodium salt, Na 2B 12H 12, which contains large, icosahedral, divalent B 12H 12 2– anions that enable impressive superionic conductivity, albeit only above its 529 K phase transition. Its lithium congener, Li 2B 12H 12, possesses an even more technologically prohibitive transition temperature above 600 K. Here we show that the chemically related LiCB 11H 12 and NaCB 11H 12 salts, which contain icosahedral, monovalent CB 11H 12–more » anions, both exhibit much lower transition temperatures near 400 K and 380 K, respectively, and truly stellar ionic conductivities (>0.1 S cm –1) unmatched by any other known polycrystalline materials at these temperatures. Furthermore with proper modifications, we are confident that room-temperature-stabilized superionic salts incorporating such large polyhedral anion building blocks are attainable, thus enhancing their future prospects as practical electrolyte materials in next-generation, all-solid-state batteries.« less

Dynamical, structural and chemical heterogeneities in a binary metallic glass-forming liquid

NASA Astrophysics Data System (ADS)

Puosi, F.; Jakse, N.; Pasturel, A.

2018-04-01

As it approaches the glass transition, particle motion in liquids becomes highly heterogeneous and regions with virtually no mobility coexist with liquid-like domains. This complex dynamic is believed to be responsible for different phenomena including non-exponential relaxation and the breakdown of the Stokes-Einstein relation. Understanding the relationships between dynamical heterogeneities and local structure in metallic liquids and glasses is a major scientific challenge. Here we use classical molecular dynamics simulations to study the atomic dynamics and microscopic structure of Cu50Zr50 alloy in the supercooling regime. Dynamical heterogeneities are identified via an isoconfigurational analysis. We demonstrate the transition from isolated to clustering low mobility with decreasing temperature. These slow clusters, whose sizes grow upon cooling, are also associated with concentration fluctuations, characterized by a Zr-enriched phase, with a composition CuZr2 . In addition, a structural analysis of slow clusters based on Voronoi tessellation evidences an increase with respect of the bulk system of the fraction of Cu atoms having a local icosahedral order. These results are in agreement with the consolidated scenario of the relevant role played by icosahedral order in the dynamic slowing-down in supercooled metal alloys.

Formation pathways of mesoporous silica nanoparticles with dodecagonal tiling

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

Sun, Yao; Ma, Kai; Kao, Teresa

Considerable progress in the fabrication of quasicrystals demonstrates that they can be realized in a broad range of materials. However, the development of chemistries enabling direct experimental observation of early quasicrystal growth pathways remains challenging. Here, we report the synthesis of four surfactant-directed mesoporous silica nanoparticle structures, including dodecagonal quasicrystalline nanoparticles, as a function of micelle pore expander concentration or stirring rate. We demonstrate that the early formation stages of dodecagonal quasicrystalline mesoporous silica nanoparticles can be preserved, where precise control of mesoporous silica nanoparticle size down to <30 nm facilitates comparison between mesoporous silica nanoparticles and simulated single-particle growthmore » trajectories beginning with a single tiling unit. Our results reveal details of the building block size distributions during early growth and how they promote quasicrystal formation. This work identifies simple synthetic parameters, such as stirring rate, that may be exploited to design other quasicrystal-forming self-assembly chemistries and processes.« less

Imaging quasiperiodic electronic states in a synthetic Penrose tiling

NASA Astrophysics Data System (ADS)

Collins, Laura C.; Witte, Thomas G.; Silverman, Rochelle; Green, David B.; Gomes, Kenjiro K.

2017-06-01

Quasicrystals possess long-range order but lack the translational symmetry of crystalline solids. In solid state physics, periodicity is one of the fundamental properties that prescribes the electronic band structure in crystals. In the absence of periodicity and the presence of quasicrystalline order, the ways that electronic states change remain a mystery. Scanning tunnelling microscopy and atomic manipulation can be used to assemble a two-dimensional quasicrystalline structure mapped upon the Penrose tiling. Here, carbon monoxide molecules are arranged on the surface of Cu(111) one at a time to form the potential landscape that mimics the ionic potential of atoms in natural materials by constraining the electrons in the two-dimensional surface state of Cu(111). The real-space images reveal the presence of the quasiperiodic order in the electronic wave functions and the Fourier analysis of our results links the energy of the resonant states to the local vertex structure of the quasicrystal.

Formation pathways of mesoporous silica nanoparticles with dodecagonal tiling

DOE PAGES

Sun, Yao; Ma, Kai; Kao, Teresa; ...

2017-08-15

Considerable progress in the fabrication of quasicrystals demonstrates that they can be realized in a broad range of materials. However, the development of chemistries enabling direct experimental observation of early quasicrystal growth pathways remains challenging. Here, we report the synthesis of four surfactant-directed mesoporous silica nanoparticle structures, including dodecagonal quasicrystalline nanoparticles, as a function of micelle pore expander concentration or stirring rate. We demonstrate that the early formation stages of dodecagonal quasicrystalline mesoporous silica nanoparticles can be preserved, where precise control of mesoporous silica nanoparticle size down to <30 nm facilitates comparison between mesoporous silica nanoparticles and simulated single-particle growthmore » trajectories beginning with a single tiling unit. Our results reveal details of the building block size distributions during early growth and how they promote quasicrystal formation. This work identifies simple synthetic parameters, such as stirring rate, that may be exploited to design other quasicrystal-forming self-assembly chemistries and processes.« less

Imaging quasiperiodic electronic states in a synthetic Penrose tiling.

PubMed

Collins, Laura C; Witte, Thomas G; Silverman, Rochelle; Green, David B; Gomes, Kenjiro K

2017-06-22

Quasicrystals possess long-range order but lack the translational symmetry of crystalline solids. In solid state physics, periodicity is one of the fundamental properties that prescribes the electronic band structure in crystals. In the absence of periodicity and the presence of quasicrystalline order, the ways that electronic states change remain a mystery. Scanning tunnelling microscopy and atomic manipulation can be used to assemble a two-dimensional quasicrystalline structure mapped upon the Penrose tiling. Here, carbon monoxide molecules are arranged on the surface of Cu(111) one at a time to form the potential landscape that mimics the ionic potential of atoms in natural materials by constraining the electrons in the two-dimensional surface state of Cu(111). The real-space images reveal the presence of the quasiperiodic order in the electronic wave functions and the Fourier analysis of our results links the energy of the resonant states to the local vertex structure of the quasicrystal.

Non-Classical Order in Sphere Forming ABAC Tetrablock Copolymers

NASA Astrophysics Data System (ADS)

Zhang, Jingwen; Sides, Scott; Bates, Frank

2013-03-01

AB diblock and ABC triblock copolymers have been studied thoroughly. ABAC tetrablock copolymers, representing the simplest variation from ABC triblock by breaking the molecular symmetry via inserting some of the A block in between B and C blocks, have been studied systematically in this research. The model system is poly(styrene-b-isoprene-b-styrene-b-ethylene oxide) (SISO) tetrablock terpolymers and the resulting morphologies were characterized by nuclear magnetic resonance, gel permeation chromatography, small-angle X-ray scattering, transmission electron microscopy, differential scanning calorimetry and dynamic mechanical spectroscopy. Two novel phases are first discovered in a single component block copolymers: hexagonally ordered spherical phase and tentatively identified dodecagonal quasicrystalline (QC) phase. In particular, the discovery of QC phase bridges the world of soft matters to that of metals. These unusual sets of morphologies will be discussed in the context of segregation under the constraints associated with the tetrablock molecular architecture. Theoretical calculations based on the assumption of Gaussian chain statistics provide valuable insights into the molecular configurations associated with these morphologies. the U.S. Department of Energy, Basic Energy Sciences, Division of Materials Science and Engineering, under contract number DEAC05-00OR22725 with UT-Battelle LLC at Oak Ridge National Lab.

Assembling substrate-less plasmonic metacrystals at the oil/water interface for multiplex ultratrace analyte detection.

PubMed

Lee, Yih Hong; Lee, Hiang Kwee; Ho, Jonathan Yong Chew; Yang, Yijie; Ling, Xing Yi

2016-08-15

Current substrate-less SERS platforms are limited to uncontrolled aggregation of plasmonic nanoparticles or quasi-crystalline arrays of spherical nanoparticles, with no study on how the lattice structures formed by nanoparticle self-assembly affect their detection capabilities. Here, we organize Ag octahedral building blocks into two large-area plasmonic metacrystals at the oil/water interface, and investigate their in situ SERS sensing capabilities. Amphiphilic octahedra assemble into a hexagonal close-packed metacrystal, while hydrophobic octahedra assemble into an open square metacrystal. The lower packing density square metacrystal gives rise to much stronger SERS enhancement than the denser packing hexagonal metacrystal, arising from the larger areas of plasmonic hotspots within the square metacrystal at the excitation wavelength. We further demonstrate the ability of the square metacrystal to achieve quantitative ultratrace detection of analytes from both the aqueous and organic phases. Detection limits are at the nano-molar levels, with analytical enhancement factors reaching 10(8). In addition, multiplex detection across both phases can be achieved in situ without any loss of signal quantitation.

Distinct DNA exit and packaging portals in the virus Acanthamoeba polyphaga mimivirus.

PubMed

Zauberman, Nathan; Mutsafi, Yael; Halevy, Daniel Ben; Shimoni, Eyal; Klein, Eugenia; Xiao, Chuan; Sun, Siyang; Minsky, Abraham

2008-05-13

Icosahedral double-stranded DNA viruses use a single portal for genome delivery and packaging. The extensive structural similarity revealed by such portals in diverse viruses, as well as their invariable positioning at a unique icosahedral vertex, led to the consensus that a particular, highly conserved vertex-portal architecture is essential for viral DNA translocations. Here we present an exception to this paradigm by demonstrating that genome delivery and packaging in the virus Acanthamoeba polyphaga mimivirus occur through two distinct portals. By using high-resolution techniques, including electron tomography and cryo-scanning electron microscopy, we show that Mimivirus genome delivery entails a large-scale conformational change of the capsid, whereby five icosahedral faces open up. This opening, which occurs at a unique vertex of the capsid that we coined the "stargate", allows for the formation of a massive membrane conduit through which the viral DNA is released. A transient aperture centered at an icosahedral face distal to the DNA delivery site acts as a non-vertex DNA packaging portal. In conjunction with comparative genomic studies, our observations imply a viral packaging pathway akin to bacterial DNA segregation, which might be shared by diverse internal membrane-containing viruses.

Distinct DNA Exit and Packaging Portals in the Virus Acanthamoeba polyphaga mimivirus

PubMed Central

Zauberman, Nathan; Mutsafi, Yael; Halevy, Daniel Ben; Shimoni, Eyal; Klein, Eugenia; Xiao, Chuan; Sun, Siyang; Minsky, Abraham

2008-01-01

Icosahedral double-stranded DNA viruses use a single portal for genome delivery and packaging. The extensive structural similarity revealed by such portals in diverse viruses, as well as their invariable positioning at a unique icosahedral vertex, led to the consensus that a particular, highly conserved vertex-portal architecture is essential for viral DNA translocations. Here we present an exception to this paradigm by demonstrating that genome delivery and packaging in the virus Acanthamoeba polyphaga mimivirus occur through two distinct portals. By using high-resolution techniques, including electron tomography and cryo-scanning electron microscopy, we show that Mimivirus genome delivery entails a large-scale conformational change of the capsid, whereby five icosahedral faces open up. This opening, which occurs at a unique vertex of the capsid that we coined the “stargate”, allows for the formation of a massive membrane conduit through which the viral DNA is released. A transient aperture centered at an icosahedral face distal to the DNA delivery site acts as a non-vertex DNA packaging portal. In conjunction with comparative genomic studies, our observations imply a viral packaging pathway akin to bacterial DNA segregation, which might be shared by diverse internal membrane–containing viruses. PMID:18479185

Atom probe tomography investigation of lath boundary segregation and precipitation in a maraging stainless steel.

PubMed

Thuvander, Mattias; Andersson, Marcus; Stiller, Krystyna

2013-09-01

Lath boundaries in a maraging stainless steel of composition 13Cr-8Ni-2Mo-2Cu-1Ti-0.7Al-0.3Mn-0.2Si-0.03C (at%) have been investigated using atom probe tomography following aging at 475 °C for up to 100 h. Segregation of Mo, Si and P to the lath boundaries was observed already after 5 min of aging, and the amount of segregation increases with aging time. At lath boundaries also precipitation of η-Ni₃(Ti, Al) and Cu-rich 9R, in contact with each other, takes place. These co-precipitates grow with time and because of coarsening the area number density decreases. After 100 h of aging a ∼5 nm thick film-like precipitation of a Mo-rich phase was observed at the lath boundaries. From the composition of the film it is suggested that the phase in question is the quasicrystalline R' phase. The film is perforated with Cu-rich 9R and η-Ni₃(Ti, Al) co-precipitates. Not all precipitate types present in the matrix do precipitate at the lath boundaries; the Si-containing G phase and γ'-Ni₃(Ti, Al, Si) and the Cr-rich α' phase were not observed at the lath boundaries. Copyright © 2012 Elsevier B.V. All rights reserved.

Unlocking Internal Prestress from Protein Nanoshells

NASA Astrophysics Data System (ADS)

Klug, W. S.; Roos, W. H.; Wuite, G. J. L.

2012-10-01

The capsids of icosahedral viruses are closed shells assembled from a hexagonal lattice of proteins with fivefold angular defects located at the icosahedral vertices. Elasticity theory predicts that these disclinations are subject to an internal compressive prestress, which provides an explanation for the link between size and shape of capsids. Using a combination of experiment and elasticity theory we investigate the question of whether macromolecular assemblies are subject to residual prestress, due to basic geometric incompatibility of the subunits. Here we report the first direct experimental test of the theory: by controlled removal of protein pentamers from the icosahedral vertices, we measure the mechanical response of so-called “whiffle ball” capsids of herpes simplex virus, and demonstrate the signature of internal prestress locked into wild-type capsids during assembly.

Why Are Buckyonions Round?

NASA Technical Reports Server (NTRS)

Bates, Kevin R.; Scuseria, Gustavo E.

1997-01-01

Multi-layered round carbon particles (onions) containing tens to hundreds of thousands of atoms form during electron irradiation of graphite carbon. However, theoretical models of large icosahedral fullerenes predict highly faceted shapes for molecules with more than a few hundred atoms. This discrepancy in shape may be explained by the presence of defects during the formation of carbon onions. Here, we use the semi-empirical tight-binding method for carbon to simulate the incorporation of pentagon-heptagon defects on to the surface of large icosahedral fullerenes. We show a simple mechanism that results in energetically competitive derivative structures and a global change in molecular shape from faceted to round. Our results provide a plausible explanation of the apparent discrepancy between experimental observations of round buckyonions and theoretical predictions of faceted icosahedral fullerenes.

Why are Buckyonions Round?

NASA Technical Reports Server (NTRS)

Bates, Kevin R.; Scuseria, Gustavo E.

1998-01-01

Multi-layered round carbon particles (onions) containing tens to hundreds of thousands of atoms form during electron irradiation of graphite. However. theoretical models or large icosahedral fullerenes predict highly faceted shapes for molecules with more than a few hundred atoms. This discrepancy in shape may be explained by the presence of defects during the formation of carbon onions. Here, we use the semi-empirical tight-binding method for carbon to simulate the incorporation of pentagon-heptagon defects on to the surface of large icosahedral fullerenes. We show a simple mechanism that results in energetically competitive derivative structures and a global change in molecular shape from faceted to round. Our results provide a plausible explanation of the apparent discrepancy between experimental observations or round buckyonions and theoretical predictions of faceted icosahedral fullerenes.

Quasicrystal-reinforced Mg alloys.

PubMed

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

2014-04-01

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

Quasicrystal-reinforced Mg alloys

PubMed Central

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

2014-01-01

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

Detection of Intermediates And Kinetic Control During Assembly of Bacteriophage P22 Procapsid

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

Tuma, R.; Tsuruta, H.; French, K.H.

2009-05-26

Bacteriophage P22 serves as a model for the assembly and maturation of other icosahedral double-stranded DNA viruses. P22 coat and scaffolding proteins assemble in vitro into an icosahedral procapsid, which then expands during DNA packaging (maturation). Efficient in vitro assembly makes this system suitable for design and production of monodisperse spherical nanoparticles (diameter {approx} 50 nm). In this work, we explore the possibility of controlling the outcome of assembly by scaffolding protein engineering. The scaffolding protein exists in monomer-dimer-tetramer equilibrium. We address the role of monomers and dimers in assembly by using three different scaffolding proteins with altered monomer-dimer equilibriummore » (weak dimer, covalent dimer, monomer). The progress and outcome of assembly was monitored by time-resolved X-ray scattering, which allowed us to distinguish between closed shells and incomplete assembly intermediates. Binding of scaffolding monomer activates the coat protein for assembly. Excess dimeric scaffolding protein resulted in rapid nucleation and kinetic trapping yielding incomplete shells. Addition of monomeric wild-type scaffold with excess coat protein completed these metastable shells. Thus, the monomeric scaffolding protein plays an essential role in the elongation phase by activating the coat and effectively lowering its critical concentration for assembly.« less

Quasiperiodic oscillation and possible Second Law violation in a nanosystem

NASA Astrophysics Data System (ADS)

Quick, R.; Singharoy, A.; Ortoleva, P.

2013-05-01

Simulation of a virus-like particle reveals persistent oscillation about a free-energy minimizing structure. For an icosahedral structure of 12 human papillomavirus (HPV) L1 protein pentamers, the period is about 70 picoseconds and has amplitude of about 4 Å at 300 K and pH 7. The pentamers move radially and out-of-phase with their neighbors. As temperature increases the amplitude and period decrease. Since the dynamics are shown to be friction-dominated and free-energy driven, the oscillations are noninertial. These anomalous oscillations are an apparent violation of the Second Law mediated by fluctuations accompanying nanosystem behavior.

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.

Melting of iron determined by X-ray absorption spectroscopy to 100 GPa

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

Aquilanti, Giuliana; Trapananti, Angela; Karandikar, Amol

2015-09-14

There is a long-standing controversy over the melting curve of Fe at high pressure as determined from static laser heated diamond anvil cell and dynamic compression studies. X-ray absorption spectroscopy measurements are used here as a criterion to detect melting under pressure. Confronted with a diversity of obtained melting curves, this technique, used at such pressure and temperature conditions, is eligible to be at the forefront to probe Earth's deep interior. Furthermore, the experiment reported here holds promise for addressing important issues related to the structure and phase diagram of compressed melts, such as the existence of structural complexity (polyamorphism)more » in the liquid phase or the extent of icosahedral ordering whose investigation has been limited until now to ambient conditions.« less

New Icosahedral Boron Carbide Semiconductors

NASA Astrophysics Data System (ADS)

Echeverria Mora, Elena Maria

Novel semiconductor boron carbide films and boron carbide films doped with aromatic compounds have been investigated and characterized. Most of these semiconductors were formed by plasma enhanced chemical vapor deposition. The aromatic compound additives used, in this thesis, were pyridine (Py), aniline, and diaminobenzene (DAB). As one of the key parameters for semiconducting device functionality is the metal contact and, therefore, the chemical interactions or band bending that may occur at the metal/semiconductor interface, X-ray photoemission spectroscopy has been used to investigate the interaction of gold (Au) with these novel boron carbide-based semiconductors. Both n- and p-type films have been tested and pure boron carbide devices are compared to those containing aromatic compounds. The results show that boron carbide seems to behave differently from other semiconductors, opening a way for new analysis and approaches in device's functionality. By studying the electrical and optical properties of these films, it has been found that samples containing the aromatic compound exhibit an improvement in the electron-hole separation and charge extraction, as well as a decrease in the band gap. The hole carrier lifetimes for each sample were extracted from the capacitance-voltage, C(V), and current-voltage, I(V), curves. Additionally, devices, with boron carbide with the addition of pyridine, exhibited better collection of neutron capture generated pulses at ZERO applied bias, compared to the pure boron carbide samples. This is consistent with the longer carrier lifetimes estimated for these films. The I-V curves, as a function of external magnetic field, of the pure boron carbide films and films containing DAB demonstrate that significant room temperature negative magneto-resistance (> 100% for pure samples, and > 50% for samples containing DAB) is possible in the resulting dielectric thin films. Inclusion of DAB is not essential for significant negative magneto-resistance, however, these results suggest practical device applications, especially as such effects are manifested in nanoscale films with facile fabrication. Overall, the greater negative magneto-resistance, when undoped with an aromatic, suggests a material with more defects and is consistent with a shorter carrier lifetime.

Impact of a nonuniform charge distribution on virus assembly

NASA Astrophysics Data System (ADS)

Li, Siyu; Erdemci-Tandogan, Gonca; Wagner, Jef; van der Schoot, Paul; Zandi, Roya

2017-08-01

Many spherical viruses encapsulate their genomes in protein shells with icosahedral symmetry. This process is spontaneous and driven by electrostatic interactions between positive domains on the virus coat proteins and the negative genomes. We model the effect of the nonuniform icosahedral charge distribution from the protein shell instead using a mean-field theory. We find that this nonuniform charge distribution strongly affects the optimal genome length and that it can explain the experimentally observed phenomenon of overcharging of virus and viruslike particles.

Structural rigidity in the capsid assembly of cowpea chlorotic mottle virus

NASA Astrophysics Data System (ADS)

Hespenheide, B. M.; Jacobs, D. J.; Thorpe, M. F.

2004-11-01

The cowpea chlorotic mottle virus (CCMV) has a protein cage, or capsid, which encloses its genetic material. The structure of the capsid consists of 180 copies of a single protein that self-assemble inside a cell to form a complete capsid with icosahedral symmetry. The icosahedral surface can be naturally divided into pentagonal and hexagonal faces, and the formation of either of these faces has been proposed to be the first step in the capsid assembly process. We have used the software FIRST to analyse the rigidity of pentameric and hexameric substructures of the complete capsid to explore the viability of certain capsid assembly pathways. FIRST uses the 3D pebble game to determine structural rigidity, and a brief description of this algorithm, as applied to body-bar networks, is given here. We find that the pentameric substructure, which corresponds to a pentagonal face on the icosahedral surface, provides the best structural properties for nucleating the capsid assembly process, consistent with experimental observations.

Morphological evidence for phages in Xylella fastidiosa

PubMed Central

Chen, Jianchi; Civerolo, Edwin L

2008-01-01

Presumptive phage particles associated with Xylella fastidiosa strain Temecula-1 grown in PW broth were observed by transmission electron microscopy (TEM) in ultrathin sections of bacterial cell-containing low speed centrifugation pellets and in partially purified preparations from CsCl equilibrium centrifugation density gradients. Ultrathin-sectioned cell pellets contained icosahedral particles of about 45 nm in diameter. Samples collected from CsCl density gradients revealed mostly non-tailed icosahedral but also tailed particles. The icosahedral particles could be divided into two types: a large type (about 45 nm) and a small type (about 30 nm). Filamentous phage-like particles (17 × 120 to 6,300 nm) were also observed. The presence of different types of phage-like particles resembling to those in several bacteriophage families provides new physical evidence, in addition to X. fastidiosa genomic information, that X. fastidiosa possesses active phages. This is the first report of phage particles released in X. fastidiosa cultures. PMID:18538030

Physical properties of organic fullerene cocrystals

NASA Astrophysics Data System (ADS)

Macovez, Roberto

2017-12-01

The basic facts and fundamental properties of binary fullerene cocrystals are reviewed, focusing especially on solvates and salts of Buckminsterfullerene (C60), and hydrates of hydrophilic C60 derivatives. The examined properties include the lattice structure and the presence of orientational disorder and/or rotational dynamics (of both fullerenes and cocrystallizing moieties), thermodynamic properties such as decomposition enthalpies, and charge transport properties. Both thermodynamic properties and molecular orientational disorder shed light on the extent of intermolecular interactions in these binary solid-state systems. Comparison is carried out also with pristine fullerite and with the solid phases of functionalized C60. Interesting experimental findings on binary fullerene cocrystals include the simultaneous occurrence of rotations of both constituent molecular species, crystal morphologies reminiscent of quasi-crystalline behaviour, the observation of proton conduction in hydrate solids of hydrophilic fullerene derivatives, and the production of super-hard carbon materials by application of high pressures on solvated fullerene crystals.

Electronic shell structure in Ga12 icosahedra and the relation to the bulk forms of gallium.

PubMed

Schebarchov, D; Gaston, N

2012-07-28

The electronic structure of known cluster compounds with a cage-like icosahedral Ga(12) centre is studied by first-principles theoretical methods, based on density functional theory. We consider these hollow metalloid nanostructures in the context of the polymorphism of the bulk, and identify a close relation to the α phase of gallium. This previously unrecognised connection is established using the electron localisation function, which reveals the ubiquitous presence of radially-pointing covalent bonds around the Ga(12) centre--analogous to the covalent bonds between buckled deltahedral planes in α-Ga. Furthermore, we find prominent superatom shell structure in these clusters, despite their hollow icosahedral motif and the presence of covalent bonds. The exact nature of the electronic shell structure is contrasted with simple electron shell models based on jellium, and we demonstrate how the interplay between gallium dimerisation, ligand- and crystal-field effects can alter the splitting of the partially filled 1F shell. Finally, in the unique compound where the Ga(12) centre is bridged by six phosphorus ligands, the electronic structure most closely resembles that of δ-Ga and there are no well-defined superatom orbitals. The results of this comprehensive study bring new insights into the nature of chemical bonding in metalloid gallium compounds and the relation to bulk gallium metal, and they may also guide the development of more general models for ligand-protected clusters.

Fourth class of convex equilateral polyhedron with polyhedral symmetry related to fullerenes and viruses.

PubMed

Schein, Stan; Gayed, James Maurice

2014-02-25

The three known classes of convex polyhedron with equal edge lengths and polyhedral symmetry--tetrahedral, octahedral, and icosahedral--are the 5 Platonic polyhedra, the 13 Archimedean polyhedra--including the truncated icosahedron or soccer ball--and the 2 rhombic polyhedra reported by Johannes Kepler in 1611. (Some carbon fullerenes, inorganic cages, icosahedral viruses, geodesic structures, and protein complexes resemble these fundamental shapes.) Here we add a fourth class, "Goldberg polyhedra," which are also convex and equilateral. We begin by decorating each of the triangular facets of a tetrahedron, an octahedron, or an icosahedron with the T vertices and connecting edges of a "Goldberg triangle." We obtain the unique set of internal angles in each planar face of each polyhedron by solving a system of n equations and n variables, where the equations set the dihedral angle discrepancy about different types of edge to zero, and the variables are a subset of the internal angles in 6gons. Like the faces in Kepler's rhombic polyhedra, the 6gon faces in Goldberg polyhedra are equilateral and planar but not equiangular. We show that there is just a single tetrahedral Goldberg polyhedron, a single octahedral one, and a systematic, countable infinity of icosahedral ones, one for each Goldberg triangle. Unlike carbon fullerenes and faceted viruses, the icosahedral Goldberg polyhedra are nearly spherical. The reasoning and techniques presented here will enable discovery of still more classes of convex equilateral polyhedra with polyhedral symmetry.

Design of a hyperstable 60-subunit protein icosahedron

NASA Astrophysics Data System (ADS)

Hsia, Yang; Bale, Jacob B.; Gonen, Shane; Shi, Dan; Sheffler, William; Fong, Kimberly K.; Nattermann, Una; Xu, Chunfu; Huang, Po-Ssu; Ravichandran, Rashmi; Yi, Sue; Davis, Trisha N.; Gonen, Tamir; King, Neil P.; Baker, David

2016-07-01

The icosahedron is the largest of the Platonic solids, and icosahedral protein structures are widely used in biological systems for packaging and transport. There has been considerable interest in repurposing such structures for applications ranging from targeted delivery to multivalent immunogen presentation. The ability to design proteins that self-assemble into precisely specified, highly ordered icosahedral structures would open the door to a new generation of protein containers with properties custom-tailored to specific applications. Here we describe the computational design of a 25-nanometre icosahedral nanocage that self-assembles from trimeric protein building blocks. The designed protein was produced in Escherichia coli, and found by electron microscopy to assemble into a homogenous population of icosahedral particles nearly identical to the design model. The particles are stable in 6.7 molar guanidine hydrochloride at up to 80 degrees Celsius, and undergo extremely abrupt, but reversible, disassembly between 2 molar and 2.25 molar guanidinium thiocyanate. The icosahedron is robust to genetic fusions: one or two copies of green fluorescent protein (GFP) can be fused to each of the 60 subunits to create highly fluorescent ‘standard candles’ for use in light microscopy, and a designed protein pentamer can be placed in the centre of each of the 20 pentameric faces to modulate the size of the entrance/exit channels of the cage. Such robust and customizable nanocages should have considerable utility in targeted drug delivery, vaccine design and synthetic biology.

Reduction of variance in spectral estimates for correction of ultrasonic aberration.

PubMed

Astheimer, Jeffrey P; Pilkington, Wayne C; Waag, Robert C

2006-01-01

A variance reduction factor is defined to describe the rate of convergence and accuracy of spectra estimated from overlapping ultrasonic scattering volumes when the scattering is from a spatially uncorrelated medium. Assuming that the individual volumes are localized by a spherically symmetric Gaussian window and that centers of the volumes are located on orbits of an icosahedral rotation group, the factor is minimized by adjusting the weight and radius of each orbit. Conditions necessary for the application of the variance reduction method, particularly for statistical estimation of aberration, are examined. The smallest possible value of the factor is found by allowing an unlimited number of centers constrained only to be within a ball rather than on icosahedral orbits. Computations using orbits formed by icosahedral vertices, face centers, and edge midpoints with a constraint radius limited to a small multiple of the Gaussian width show that a significant reduction of variance can be achieved from a small number of centers in the confined volume and that this reduction is nearly the maximum obtainable from an unlimited number of centers in the same volume.

Ionic High-Pressure Form of Elemental Boron

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

Oganov, A.; Chen, J; Gatti, C

2009-01-01

This Letter presents the results of high-pressure experiments and ab initio evolutionary crystal structure predictions, and found a new boron phase that we named gamma-B28. This phase is comprised of icosahedral B12 clusters and B2 pairs in a NaCl-type arrangement, stable between 19 and 89 GPa, and exhibits evidence for charge transfer (for which our best estimate is delta approximately 0.48) between the constituent clusters to give (B2)delta+(B12)delta-. We have recently found that the same high-pressure boron phase may have given rise to the Bragg reflections reported by Wentorf in 1965 (ref. 1), although the chemical composition was not analysedmore » and the data (subsequently deleted from the Powder Diffraction File database) seems to not have been used to propose a structure model. We also note that although we used the terms 'partially ionic' and 'ionic' to emphasize the polar nature of the high-pressure boron phase and the influence this polarity has on several physical properties of the elemental phase, the chemical bonding in gamma-B28 is predominantly covalent.« less

The synthesis and characterization of iron nanoparticles

NASA Astrophysics Data System (ADS)

Bennett, Tyler

Nanoparticle synthesis has garnered attention for technological applications for catalysts, industrial processing, and medical applications. The size ranges for these is in the particles nanostructural domain. Pure iron nanoparticles have been of particular interest for their reactivity and relative biological inertness. Applications include cancer treatment and carrying medicine to a relevant site. Unfortunately, because of their reactivity, pure iron nanoparticles have been difficult to study. This is because of their accelerated tendency to form oxides in air, due to the increased surface area to volume ratio. Using synthesis processes with polyphenols or long chain amines, air stable iron nanoparticles have been produced with a diameter size range of ~ 2 to about ~10 nm, but apparently have transformed due to internal pressure and crystallographic defects to the FCC phase. The FCC crystals have been seen to form icosahedral and decahedral shapes. This size is within the range for use as a catalyst for the growth of both carbon nanotubes and boron nitride nanotubes as well for biomedical applications. The advantages of these kinds of catalysts are that nanotube growth can be for the first time separated from the catalyst formation. Additionally, the catalyst size can be preselected for a certain size nanotube to grow. In summary: (1) we found the size distributions of nanoparticles for various synthesis processes, (2) we discovered the right size range for growth of nanotubes from the iron nanoparticles, (3) the nanoparticles are under a very high internal pressure, (4) the nanoparticles are in the FCC phase, (5) they appear to be in icosahedral and decahedral structures, (6) they undergo room temperature twinning, (7) the FCC crystals are distorted due to carbon in octahedral sites, (8) the iron nanoparticles are stable in air, (9) adding small amounts of copper make the iron nanoparticles smaller.

High-pressure phase transition makes B 4.3 C boron carbide a wide-gap semiconductor

DOE PAGES

Hushur, Anwar; Manghnani, Murli H.; Werheit, Helmut; ...

2016-01-11

Single-crystal B4.3C boron carbide is investigated concerning the pressure-dependence of optical properties and of Raman-active phonons up to ~70 GPa. The high concentration of structural defects determining the electronic properties of boron carbide at ambient conditions initially decrease and finally vanish with pressure increasing. We obtain this immediately from transparency photos, allowing to estimate the pressure-dependent variation of the absorption edge rapidly increasing around 55 GPa. Glass-like transparency at pressures exceeding 60 GPa indicate that the width of the band exceeds ~3.1 eV thus making boron carbide a wide-gap semiconductor. Furthermore, the spectra of Raman–active phonons indicate a pressure-dependent phasemore » transition in single-crystal natB4.3C boron carbide near 35 GPa., particularly related to structural changes in connection with the C-B-C chains, while the basic icosahedral structure remains largely unaffected.« less

Synthesis of boron suboxide from boron and boric acid under mild pressure and temperature conditions

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

Jiao, Xiaopeng; Jin, Hua; Ding, Zhanhui

2011-05-15

Graphical abstract: Well-crystallized and icosahedral B{sub 6}O crystals were prepared by reacting boron and boric acid at milder reaction conditions (1 GPa and 1300 {sup o}C for 2 h) as compared to previous work.. Research highlights: {yields} Well-crystallized icosahedral B{sub 6}O was synthesized by reacting boric acid and boron. {yields} The synthesis conditions (1 GPa and 1300 {sup o}C for 2 h) are milder in comparison with previous work. {yields} The more practical synthesis method may make B{sub 6}O as a potential substitute for diamond in industry. -- Abstract: Boron suboxide (B{sub 6}O) was synthesized by reacting boron and boricmore » acid (H{sub 3}BO{sub 3}) at pressures between 1 and 10 GPa, and at temperatures between 1300 and 1400 {sup o}C. The B{sub 6}O samples prepared were icosahedral with diameters ranging from 20 to 300 nm. Well-crystallized and icosahedral crystals with an average size of {approx}100 nm can be obtained at milder reaction conditions (1 GPa and 1300 {sup o}C for 2 h) as compared to previous work. The bulk B{sub 6}O sample was stable in air at 600 {sup o}C and then slowly oxidized up to 1000 {sup o}C. The relatively mild synthetic conditions developed in this study provide a more practical synthesis of B{sub 6}O, which may potentially be used as a substitute for diamond in industry as a new superhard material.« less

Phases, phase equilibria, and phase rules in low-dimensional systems

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

Frolov, T., E-mail: timfrol@berkeley.edu; Mishin, Y., E-mail: ymishin@gmu.edu

2015-07-28

We present a unified approach to thermodynamic description of one, two, and three dimensional phases and phase transformations among them. The approach is based on a rigorous definition of a phase applicable to thermodynamic systems of any dimensionality. Within this approach, the same thermodynamic formalism can be applied for the description of phase transformations in bulk systems, interfaces, and line defects separating interface phases. For both lines and interfaces, we rigorously derive an adsorption equation, the phase coexistence equations, and other thermodynamic relations expressed in terms of generalized line and interface excess quantities. As a generalization of the Gibbs phasemore » rule for bulk phases, we derive phase rules for lines and interfaces and predict the maximum number of phases than may coexist in systems of the respective dimensionality.« less

Structure and tribological properties of composite materials based on Al-Cu-Fe formed at high pressure

NASA Astrophysics Data System (ADS)

Golovkova, E. A.; Ekimov, E. A.; Ivanov, A. S.; Kruglov, V. S.; Pal', A. F.; Ryabinkin, A. N.; Serov, A. O.; Starostin, A. N.; Tsetlin, M. B.

2017-11-01

The use of high pressure ( 8 GPa) in the formation of composite quasi-crystalline materials from powders made it possible to create practically poreless samples with a density close to the maximum known for this type of quasi-crystals. For samples with a nickel binder, sintered at a temperature of 550°C, a very low coefficient of friction was obtained, which retain its value during the testing.

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

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

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

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

Composition-dependent stability of the medium-range order responsible for metallic glass formation

DOE PAGES

Zhang, Feng; Ji, Min; Fang, Xiao-Wei; ...

2014-09-18

The competition between the characteristic medium-range order corresponding to amorphous alloys and that in ordered crystalline phases is central to phase selection and morphology evolution under various processing conditions. We examine the stability of a model glass system, Cu–Zr, by comparing the energetics of various medium-range structural motifs over a wide range of compositions using first-principles calculations. Furthermore, we focus specifically on motifs that represent possible building blocks for competing glassy and crystalline phases, and we employ a genetic algorithm to efficiently identify the energetically favored decorations of each motif for specific compositions. These results show that a Bergman-type motifmore » with crystallization-resisting icosahedral symmetry is energetically most favorable in the composition range 0.63 < xCu < 0.68, and is the underlying motif for one of the three optimal glass-forming ranges observed experimentally for this binary system (Li et al., 2008). This work establishes an energy-based methodology to evaluate specific medium-range structural motifs which compete with stable crystalline nuclei in deeply undercooled liquids.« less

The 3.2 Angstrom Resolution Structure of the Polymorphic Cowpea Chlorotic Mottle Virus Ribonucleoprotein Particle

NASA Astrophysics Data System (ADS)

Speir, Jeffrey Alan

Structural studies of the polymorphic cowpea chlorotic mottle virus have resulted in high resolution structures for two distinct icosahedral ribonucleoprotein particle conformations dependent upon whether acidic or basic pH conditions prevail. CCMV is stable below pH 6.5, however metal-free particles maintain a 10% increase in hydrodynamic volume at pH >=q 7.5. Identification of this swollen' form of CCMV, which can easily be disrupted with 1M NaCl, led to the first reassembly of an icosahedral virus in vitro from purified viral protein and RNA to form infectious particles, and its assembly has been the subject of biochemical and biophysical investigations for over twenty-five years. Under well defined conditions of pH, ionic strength and divalent metal ion concentration, CCMV capsid protein or capsid protein and RNA will reassemble to form icosahedral particles of various sizes, sheets, tubes, rosettes, and a variety of laminar structures which resemble virion structures from non-related virus families. Analysis of native particles at 3.2A resolution and swollen particles at 28A resolution has suggested that the chemical basis for the formation of polymorphic icosahedral and anisometric structures is: (i) hexamers formed of beta-barrel subunits stabilized by an unusual hexameric parallel beta structure made up of their N-termini, (ii) the location of protein-RNA interactions, (iii) divalent metal cation binding sites that regulate quasi-symmetrical subunit associations, (iv) charge repulsion across the same interfaces when lacking divalent metal ions at basic pH, which induces the formation of sixty 20A diameter portals for RNA release, and (v) a novel, C-terminal-based, subunit dimer assembly unit. The use of C- and N-terminal arms in CCMV has not been observed in other icosahedral RNA virus structures determined at near atomic resolution, however, their detailed interactions and roles in stabilizing the quaternary organization of CCMV are related to that found

A Molecular Dynamics Study of the Structure-Dynamics Relationships of Supercooled Liquids and Glasses

NASA Astrophysics Data System (ADS)

Soklaski, Ryan

of the Stokes-Einstein relationship, the decoupling of particle diffusivities, and the development of general "glassy" relaxation features are found to coincide with successive manifestation of icosahedral ordering that arise as the liquid is supercooled. Remarkably, we detect critical-like features in the growth of the icosahedron network, with signatures that suggest that a liquid-liquid phase transition may occur in the deeply supercooled regime to precede glass formation. Such a transition is predicted to occur in many supercooled liquids, although explicit evidence of this phenomenon in realistic systems is scarce. Ultimately this work concludes that icosahedral order characterizes all dynamical regimes of Cu64Zr 36, demonstrating the importance and utility of studying supercooled liquids in the context of locally-preferred structure. More broadly, it serves to confirm and inform recent theoretical and empirical findings that are central to understanding the physics underlying the glass transition.

Use of frit-disc crucibles for routine and exploratory solution growth of single crystalline samples

DOE PAGES

Canfield, Paul C.; Kong, Tai; Kaluarachchi, Udhara S.; ...

2016-01-05

Solution growth of single crystals from high temperature solutions often involves the separation of residual solution from the grown crystals. For many growths of intermetallic compounds, this separation has historically been achieved with the use of plugs of silica wool. Whereas this is generally efficient in a mechanical sense, it leads to a significant contamination of the decanted liquid with silica fibres. In this paper, we present a simple design for frit-disc alumina crucible sets that has made their use in the growth single crystals from high temperature solutions both simple and affordable. An alumina frit-disc allows for the cleanmore » separation of the residual liquid from the solid phase. This allows for the reuse of the decanted liquid, either for further growth of the same phase, or for subsequent growth of other, related phases. In this article, we provide examples of the growth of isotopically substituted TbCd 6 and icosahedral i-RCd quasicrystals, as well as the separation of (i) the closely related Bi 2Rh 3S 2 and Bi 2Rh 3.5S 2 phases and (ii) and PrZn 11 and PrZn 17.« less

Allosteric effects in bacteriophage HK97 procapsids revealed directly from covariance analysis of cryo EM data.

PubMed

Xu, Nan; Veesler, David; Doerschuk, Peter C; Johnson, John E

2018-05-01

The information content of cryo EM data sets exceeds that of the electron scattering potential (cryo EM) density initially derived for structure determination. Previously we demonstrated the power of data variance analysis for characterizing regions of cryo EM density that displayed functionally important variance anomalies associated with maturation cleavage events in Nudaurelia Omega Capensis Virus and the presence or absence of a maturation protease in bacteriophage HK97 procapsids. Here we extend the analysis in two ways. First, instead of imposing icosahedral symmetry on every particle in the data set during the variance analysis, we only assume that the data set as a whole has icosahedral symmetry. This change removes artifacts of high variance along icosahedral symmetry axes, but retains all of the features previously reported in the HK97 data set. Second we present a covariance analysis that reveals correlations in structural dynamics (variance) between the interior of the HK97 procapsid with the protease and regions of the exterior (not seen in the absence of the protease). The latter analysis corresponds well with hydrogen deuterium exchange studies previously published that reveal the same correlation. Copyright © 2018 Elsevier Inc. All rights reserved.

Non-commutative Chern numbers for generic aperiodic discrete systems

NASA Astrophysics Data System (ADS)

Bourne, Chris; Prodan, Emil

2018-06-01

The search for strong topological phases in generic aperiodic materials and meta-materials is now vigorously pursued by the condensed matter physics community. In this work, we first introduce the concept of patterned resonators as a unifying theoretical framework for topological electronic, photonic, phononic etc (aperiodic) systems. We then discuss, in physical terms, the philosophy behind an operator theoretic analysis used to systematize such systems. A model calculation of the Hall conductance of a 2-dimensional amorphous lattice is given, where we present numerical evidence of its quantization in the mobility gap regime. Motivated by such facts, we then present the main result of our work, which is the extension of the Chern number formulas to Hamiltonians associated to lattices without a canonical labeling of the sites, together with index theorems that assure the quantization and stability of these Chern numbers in the mobility gap regime. Our results cover a broad range of applications, in particular, those involving quasi-crystalline, amorphous as well as synthetic (i.e. algorithmically generated) lattices.

ac impedance analysis of a Ni-Nb-Zr-H glassy alloy with femtofarad capacitance tunnels

NASA Astrophysics Data System (ADS)

Fukuhara, M.; Seto, M.; Inoue, A.

2010-01-01

A Nyquist diagram of a (Ni0.36Nb0.24Zr0.40)90H10 glassy alloy shows a semitrue circle, indicating that it is a conducting material with a total capacitance of 17.8 μF. The Bode plots showing the dependencies of its real and imaginary impedances, and phase on frequency suggest a simpler equivalent circuit having a resistor in parallel with a capacitor. Dividing the total capacitance (17.8 μF) by the capacitance of a single tunnel (0.9 fF), we deduced that this material has a high number of dielectric tunnels, which can be regarded as regular prisms separated from the electric-conducting distorted icosahedral Zr5Ni5Nb3 clusters by an average of 0.225 nm.

Three-dimensional ordered particulate structures: Method to retrieve characteristics from photonic band gap data

NASA Astrophysics Data System (ADS)

Miskevich, Alexander A.; Loiko, Valery A.

2015-01-01

A method to retrieve characteristics of ordered particulate structures, such as photonic crystals, is proposed. It is based on the solution of the inverse problem using data on the photonic band gap (PBG). The quasicrystalline approximation (QCA) of the theory of multiple scattering of waves and the transfer matrix method (TMM) are used. Retrieval of the refractive index of particles is demonstrated. Refractive indices of the artificial opal particles are estimated using the published experimental data.

Phase relationship in three-phase composites which include a void phase

NASA Technical Reports Server (NTRS)

Price, H. L.; Nelson, J. B.

1976-01-01

The paper shows the relationship among polymer, particles, and voids in a three-phase composite and how some of the properties of a composite may be changed by changing the proportions of the phases. The three-phase composite is an aggregate of microspheres bonded together with a small amount of polymer which may not form a continuous matrix. The void space (third phase) is obtained by limiting the amount of polymer which is mixed with the microspheres. A ternary phase diagram is used to show the proportional relationship among the three phases, with each apex representing a volume fraction of unity for a constituent while the side opposite the apex represents a volume fraction of zero for that constituent. The vertical dimension represents some composite property such as density or strength. The effect of composition on composite properties is shown by plotting them on a binary phase diagram which represents a perpendicular plane coincident with the 0.60 volume fraction microsphere line.

CrowdPhase: crowdsourcing the phase problem

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

Jorda, Julien; Sawaya, Michael R.; Yeates, Todd O., E-mail: yeates@mbi.ucla.edu

The idea of attacking the phase problem by crowdsourcing is introduced. Using an interactive, multi-player, web-based system, participants work simultaneously to select phase sets that correspond to better electron-density maps in order to solve low-resolution phasing problems. The human mind innately excels at some complex tasks that are difficult to solve using computers alone. For complex problems amenable to parallelization, strategies can be developed to exploit human intelligence in a collective form: such approaches are sometimes referred to as ‘crowdsourcing’. Here, a first attempt at a crowdsourced approach for low-resolution ab initio phasing in macromolecular crystallography is proposed. A collaborativemore » online game named CrowdPhase was designed, which relies on a human-powered genetic algorithm, where players control the selection mechanism during the evolutionary process. The algorithm starts from a population of ‘individuals’, each with a random genetic makeup, in this case a map prepared from a random set of phases, and tries to cause the population to evolve towards individuals with better phases based on Darwinian survival of the fittest. Players apply their pattern-recognition capabilities to evaluate the electron-density maps generated from these sets of phases and to select the fittest individuals. A user-friendly interface, a training stage and a competitive scoring system foster a network of well trained players who can guide the genetic algorithm towards better solutions from generation to generation via gameplay. CrowdPhase was applied to two synthetic low-resolution phasing puzzles and it was shown that players could successfully obtain phase sets in the 30° phase error range and corresponding molecular envelopes showing agreement with the low-resolution models. The successful preliminary studies suggest that with further development the crowdsourcing approach could fill a gap in current crystallographic methods by making it

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

Cryo-Electron Microscopy of Viruses Infecting Bacterium

NASA Astrophysics Data System (ADS)

Chiu, Wah

2010-03-01

Single particle cryo-EM can yield structures of infectious bacterial viruses with and without imposed icosahedral symmetry at subnanometer resolution. Reconstructions of infectious and empty phage particles show substantial differences in the portal vertex protein complex at one of the 12 pentameric vertices in the icosahedral virus particle through which the viral genomes are packaged or released. In addition, electron cryo-tomography of viruses during infecting its bacterial host cell displayed multiple conformations of the tail fiber of the virus. Our structural observations by single particle and tomographic reconstructions suggest a mechanism whereby the viral tail fibers, upon binding to the host cell, induce a cascade of structural alterations of the portal vertex protein complex that triggers DNA release.

General phase regularized reconstruction using phase cycling.

PubMed

Ong, Frank; Cheng, Joseph Y; Lustig, Michael

2018-07-01

To develop a general phase regularized image reconstruction method, with applications to partial Fourier imaging, water-fat imaging and flow imaging. The problem of enforcing phase constraints in reconstruction was studied under a regularized inverse problem framework. A general phase regularized reconstruction algorithm was proposed to enable various joint reconstruction of partial Fourier imaging, water-fat imaging and flow imaging, along with parallel imaging (PI) and compressed sensing (CS). Since phase regularized reconstruction is inherently non-convex and sensitive to phase wraps in the initial solution, a reconstruction technique, named phase cycling, was proposed to render the overall algorithm invariant to phase wraps. The proposed method was applied to retrospectively under-sampled in vivo datasets and compared with state of the art reconstruction methods. Phase cycling reconstructions showed reduction of artifacts compared to reconstructions without phase cycling and achieved similar performances as state of the art results in partial Fourier, water-fat and divergence-free regularized flow reconstruction. Joint reconstruction of partial Fourier + water-fat imaging + PI + CS, and partial Fourier + divergence-free regularized flow imaging + PI + CS were demonstrated. The proposed phase cycling reconstruction provides an alternative way to perform phase regularized reconstruction, without the need to perform phase unwrapping. It is robust to the choice of initial solutions and encourages the joint reconstruction of phase imaging applications. Magn Reson Med 80:112-125, 2018. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.

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.

CrowdPhase: crowdsourcing the phase problem

PubMed Central

Jorda, Julien; Sawaya, Michael R.; Yeates, Todd O.

2014-01-01

The human mind innately excels at some complex tasks that are difficult to solve using computers alone. For complex problems amenable to parallelization, strategies can be developed to exploit human intelligence in a collective form: such approaches are sometimes referred to as ‘crowdsourcing’. Here, a first attempt at a crowdsourced approach for low-resolution ab initio phasing in macromolecular crystallography is proposed. A collaborative online game named CrowdPhase was designed, which relies on a human-powered genetic algorithm, where players control the selection mechanism during the evolutionary process. The algorithm starts from a population of ‘individuals’, each with a random genetic makeup, in this case a map prepared from a random set of phases, and tries to cause the population to evolve towards individuals with better phases based on Darwinian survival of the fittest. Players apply their pattern-recognition capabilities to evaluate the electron-density maps generated from these sets of phases and to select the fittest individuals. A user-friendly interface, a training stage and a competitive scoring system foster a network of well trained players who can guide the genetic algorithm towards better solutions from generation to generation via gameplay. CrowdPhase was applied to two synthetic low-resolution phasing puzzles and it was shown that players could successfully obtain phase sets in the 30° phase error range and corresponding molecular envelopes showing agreement with the low-resolution models. The successful preliminary studies suggest that with further development the crowdsourcing approach could fill a gap in current crystallographic methods by making it possible to extract meaningful information in cases where limited resolution might otherwise prevent initial phasing. PMID:24914965

Phase correction, phase resetting, and phase shifts after subliminal timing perturbations in sensorimotor synchronization.

PubMed

Repp, B H

2001-06-01

Recent studies of synchronized finger tapping have shown that perceptually subliminal phase shifts in an auditory sequence are rapidly compensated for in the motor activity (B. H. Repp, 2000a). Experiment 1 used a continuation-tapping task to confirm that this compensation is indeed a phase correction, not an adjustment of the central timekeeper period. Experiments 2-5 revealed that this phase correction occurs even when there is no ordinary sensorimotor asynchrony--when the finger taps are in antiphase or arbitrary phase relative to the auditory sequence (Experiments 2 and 3) or when the tap coinciding with the sequence phase shift is withheld (Experiments 4 and 5). The phase correction observed in the latter conditions was instantaneous, which suggests that phase resetting occurs when the motor activity is discontinuous. A prolonged phase shift suggestive of overcompensation was observed in some conditions, which poses a challenge to pure phase correction models.

Digital image processing of nanometer-size metal particles on amorphous substrates

NASA Technical Reports Server (NTRS)

Soria, F.; Artal, P.; Bescos, J.; Heinemann, K.

1989-01-01

The task of differentiating very small metal aggregates supported on amorphous films from the phase contrast image features inherently stemming from the support is extremely difficult in the nanometer particle size range. Digital image processing was employed to overcome some of the ambiguities in evaluating such micrographs. It was demonstrated that such processing allowed positive particle detection and a limited degree of statistical size analysis even for micrographs where by bare eye examination the distribution between particles and erroneous substrate features would seem highly ambiguous. The smallest size class detected for Pd/C samples peaks at 0.8 nm. This size class was found in various samples prepared under different evaporation conditions and it is concluded that these particles consist of 'a magic number' of 13 atoms and have cubooctahedral or icosahedral crystal structure.

Phase accuracy evaluation for phase-shifting fringe projection profilometry based on uniform-phase coded image

NASA Astrophysics Data System (ADS)

Zhang, Chunwei; Zhao, Hong; Zhu, Qian; Zhou, Changquan; Qiao, Jiacheng; Zhang, Lu

2018-06-01

Phase-shifting fringe projection profilometry (PSFPP) is a three-dimensional (3D) measurement technique widely adopted in industry measurement. It recovers the 3D profile of measured objects with the aid of the fringe phase. The phase accuracy is among the dominant factors that determine the 3D measurement accuracy. Evaluation of the phase accuracy helps refine adjustable measurement parameters, contributes to evaluating the 3D measurement accuracy, and facilitates improvement of the measurement accuracy. Although PSFPP has been deeply researched, an effective, easy-to-use phase accuracy evaluation method remains to be explored. In this paper, methods based on the uniform-phase coded image (UCI) are presented to accomplish phase accuracy evaluation for PSFPP. These methods work on the principle that the phase value of a UCI can be manually set to be any value, and once the phase value of a UCI pixel is the same as that of a pixel of a corresponding sinusoidal fringe pattern, their phase accuracy values are approximate. The proposed methods provide feasible approaches to evaluating the phase accuracy for PSFPP. Furthermore, they can be used to experimentally research the property of the random and gamma phase errors in PSFPP without the aid of a mathematical model to express random phase error or a large-step phase-shifting algorithm. In this paper, some novel and interesting phenomena are experimentally uncovered with the aid of the proposed methods.

Phase Coexistence in a Dynamic Phase Diagram.

PubMed

Gentile, Luigi; Coppola, Luigi; Balog, Sandor; Mortensen, Kell; Ranieri, Giuseppe A; Olsson, Ulf

2015-08-03

Metastability and phase coexistence are important concepts in colloidal science. Typically, the phase diagram of colloidal systems is considered at the equilibrium without the presence of an external field. However, several studies have reported phase transition under mechanical deformation. The reason behind phase coexistence under shear flow is not fully understood. Here, multilamellar vesicle (MLV)-to-sponge (L3 ) and MLV-to-Lα transitions upon increasing temperature are detected using flow small-angle neutron scattering techniques. Coexistence of Lα and MLV phases at 40 °C under shear flow is detected by using flow NMR spectroscopy. The unusual rheological behavior observed by studying the lamellar phase of a non-ionic surfactant is explained using (2) H NMR and diffusion flow NMR spectroscopy with the coexistence of planar lamellar-multilamellar vesicles. Moreover, a dynamic phase diagram over a wide range of temperatures is proposed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Phase-step retrieval for tunable phase-shifting algorithms

NASA Astrophysics Data System (ADS)

Ayubi, Gastón A.; Duarte, Ignacio; Perciante, César D.; Flores, Jorge L.; Ferrari, José A.

2017-12-01

Phase-shifting (PS) is a well-known technique for phase retrieval in interferometry, with applications in deflectometry and 3D-profiling, which requires a series of intensity measurements with certain phase-steps. Usually the phase-steps are evenly spaced, and its knowledge is crucial for the phase retrieval. In this work we present a method to extract the phase-step between consecutive interferograms. We test the proposed technique with images corrupted by additive noise. The results were compared with other known methods. We also present experimental results showing the performance of the method when spatial filters are applied to the interferograms and the effect that they have on their relative phase-steps.

Phase detector for three-phase power factor controller

NASA Technical Reports Server (NTRS)

Nola, F. J. (Inventor)

1984-01-01

A phase detector for the three phase power factor controller (PFC) is described. The phase detector for each phase includes an operational amplifier which senses the current phase angle for that phase by sensing the voltage across the phase thyristor. Common mode rejection is achieved by providing positive feedback between the input and output of the voltage sensing operational amplifier. this feedback preferably comprises a resistor connected between the output and input of the operational amplifier. The novelty of the invention resides in providing positive feedback such that switching of the operational amplifier is synchronized with switching of the voltage across the thyristor. The invention provides a solution to problems associated with high common mode voltage and enables use of lower cost components than would be required by other approaches.

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.

In situ phase transformation of Laves phase from Chi-phase in Mo-containing Fe–Cr–Ni alloys

DOE PAGES

Tan, L.; Yang, Y.

2015-11-01

For an in situ phase transformation of the Chi (χ) phase to the Laves phase we observed in a Fe–Cr–Ni–Mo model alloy. The morphology, composition, and crystal structure of the χ and Laves phases, and their orientation relationship with the matrix austenite phase were investigated. The resulted Laves phase has larger lattice mismatch with the matrix phase than the χ phase, leading to the increase of local strain fields and the formation of dislocations. Moreover, this finding is helpful to understand the precipitation behavior of the intermetallic phases in the Mo-containing austenitic stainless steels.

Amorphous topological insulators constructed from random point sets

NASA Astrophysics Data System (ADS)

Mitchell, Noah P.; Nash, Lisa M.; Hexner, Daniel; Turner, Ari M.; Irvine, William T. M.

2018-04-01

The discovery that the band structure of electronic insulators may be topologically non-trivial has revealed distinct phases of electronic matter with novel properties1,2. Recently, mechanical lattices have been found to have similarly rich structure in their phononic excitations3,4, giving rise to protected unidirectional edge modes5-7. In all of these cases, however, as well as in other topological metamaterials3,8, the underlying structure was finely tuned, be it through periodicity, quasi-periodicity or isostaticity. Here we show that amorphous Chern insulators can be readily constructed from arbitrary underlying structures, including hyperuniform, jammed, quasi-crystalline and uniformly random point sets. While our findings apply to mechanical and electronic systems alike, we focus on networks of interacting gyroscopes as a model system. Local decorations control the topology of the vibrational spectrum, endowing amorphous structures with protected edge modes—with a chirality of choice. Using a real-space generalization of the Chern number, we investigate the topology of our structures numerically, analytically and experimentally. The robustness of our approach enables the topological design and self-assembly of non-crystalline topological metamaterials on the micro and macro scale.

Convection in containerless processing.

PubMed

Hyers, Robert W; Matson, Douglas M; Kelton, Kenneth F; Rogers, Jan R

2004-11-01

Different containerless processing techniques have different strengths and weaknesses. Applying more than one technique allows various parts of a problem to be solved separately. For two research projects, one on phase selection in steels and the other on nucleation and growth of quasicrystals, a combination of experiments using electrostatic levitation (ESL) and electromagnetic levitation (EML) is appropriate. In both experiments, convection is an important variable. The convective conditions achievable with each method are compared for two very different materials: a low-viscosity, high-temperature stainless steel, and a high-viscosity, low-temperature quasicrystal-forming alloy. It is clear that the techniques are complementary when convection is a parameter to be explored in the experiments. For a number of reasons, including the sample size, temperature, and reactivity, direct measurement of the convective velocity is not feasible. Therefore, we must rely on computation techniques to estimate convection in these experiments. These models are an essential part of almost any microgravity investigation. The methods employed and results obtained for the projects levitation observation of dendrite evolution in steel ternary alloy rapid solidification (LODESTARS) and quasicrystalline undercooled alloys for space investigation (QUASI) are explained.

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.

Molecular dynamics (MD) studies on phase transformation and deformation behaviors in FCC metals and alloys

NASA Astrophysics Data System (ADS)

Qi, Yue

This thesis focused on the phase transformation and deformation behaviors in face center cubic (FCC) metals and alloys. These studies used the new quantum modified Sutton-Chen (QMSC) many-body potentials for Cu, Ni, Ag, and Au and for their alloys through simple combination rules. Various systems and processes are simulated by standard equilibrium molecular dynamics (MD), quasi-static equilibrium MD and non-equilibrium MD (NEMD), cooperated with different periodic boundary conditions. The main topics include: (1) Melting, glass formation, and crystallization processes in bulk alloys. In our simulation CuNi and pure Cu always form an FCC crystal, while Cu4Ag6 always forms glass (with Tg decreasing as the quench rate increases) due to the large atomic size difference. (2) Size effects in melting and crystallization in Ni nano clusters. There is a transition from cluster or molecular regime (where the icosahedral is the stable structure) below ˜500 atoms to a mesoscale regime (with well-defined bulk and surface properties and surface melting processes, which leads to Tm,N = Tm,B - alpha N-1/3) above ˜750 atoms. (3) The deformation behavior of metallic nanowires of pure Ni, NiCu and NiAu alloys, under high rates of uniaxial tensile strain, ranging from 5*108/s to 5*1010/s. We find that deformation proceeds through twinning and coherent slipping at low strain rate and amorphization at high strain rate. This research provides a new method, fast straining, to induce amorphization except fast cooling and disordering. (4) The calculation of the ½ <110> screw dislocation in nickel (Ni). We calculated the core energy of screw dislocation after dissociation is 0.5 eV/b, the annihilation process of opposite signed dislocations depends dramatically on the configurations of dissociation planes and the cross-slip energy barrier is 0.1eV/b. (5) Friction anisotropy on clean Ni(100)/(100) interface. We found that static friction coefficient on flat and incommensurate interface is

Phase shifts in the Fourier spectra of phase gratings and phase grids: an application for one-shot phase-shifting interferometry.

PubMed

Toto-Arellano, Noel-Ivan; Rodriguez-Zurita, Gustavo; Meneses-Fabian, Cruz; Vazquez-Castillo, Jose F

2008-11-10

Among several techniques, phase shifting interferometry can be implemented with a grating used as a beam divider to attain several interference patterns around each diffraction order. Because each pattern has to show a different phase-shift, a suitable shifting technique must be employed. Phase gratings are attractive to perform the former task due to their higher diffraction efficiencies. But as is very well known, the Fourier coefficients of only-phase gratings are integer order Bessel functions of the first kind. The values of these real-valued functions oscillate around zero, so they can adopt negative values, thereby introducing phase shifts of pi at certain diffraction orders. Because this almost trivial fact seems to have been overlooked in the literature regarding its practical implications, in this communication such phase shifts are stressed in the description of interference patterns obtained with grating interferometers. These patterns are obtained by placing two windows in the object plane of a 4f system with a sinusoidal grating/grid in the Fourier plane. It is shown that the corresponding experimental observations of the fringe modulation, as well as the corresponding phase measurements, are all in agreement with the proposed description. A one-shot phase shifting interferometer is finally proposed taking into account these properties after proper incorporation of modulation of polarization.

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.

Ab initio molecular dynamics simulation of binary Cu64Zr36 bulk metallic glass: Validation of the cluster-plus-glue-atom model

NASA Astrophysics Data System (ADS)

Tian, Hua; Zhang, Chong; Wang, Lu; Zhao, JiJun; Dong, Chuang; Wen, Bin; Wang, Qing

2011-06-01

We have performed ab initio molecular dynamics simulation of Cu64Zr36 alloy at descending temperatures (from 2000 K to 400 K) and discussed the evolution of short-range order with temperature. The pair-correlation functions, coordination numbers, and chemical compositions of the most abundant local clusters have been analyzed. We found that icosahedral short-range order exists in the liquid, undercooled, and glass states, and it becomes dominant in the glass states. Moreover, we demonstrated the existence of Cu-centered Cu8Zr5 icosahedral clusters as the major local structural unit in the Cu64Zr36 amorphous alloy. This finding agrees well with our previous cluster model of Cu-Zr-based BMG as well as experimental evidences from synchrotron x ray and neutron diffraction measurements.

Shellwise Mackay transformation in iron nanoclusters.

PubMed

Rollmann, Georg; Gruner, Markus E; Hucht, Alfred; Meyer, Ralf; Entel, Peter; Tiago, Murilo L; Chelikowsky, James R

2007-08-24

Structure and magnetism of iron clusters with up to 641 atoms have been investigated by means of density functional theory calculations including full geometric optimizations. Body-centered cubic (bcc) isomers are found to be lowest in energy when the clusters contain more than about 100 atoms. In addition, another stable conformation has been identified for magic-number clusters, which lies well within the range of thermal energies as compared to the bcc isomers. Its structure is characterized by a close-packed particle core and an icosahedral surface, while intermediate shells are partially transformed along the Mackay path between icosahedral and cuboctahedral geometry. The gradual transformation results in a favorable bcc environment for the subsurface atoms. For Fe55, the shellwise Mackay-transformed morphology is a promising candidate for the ground state.

Assembly of viral capsids, buckling, and the Asaro-Grinfeld-Tiller instability

NASA Astrophysics Data System (ADS)

Morozov, Alexander Yu.; Bruinsma, Robijn F.

2010-04-01

Icosahedral viral shells are characterized by intrinsic elastic stress focused on the 12 structurally required pentamers. We show that, according to thin-shell theory, assembling icosahedral viral shells should be subject to the Asaro-Grinfeld-Tiller instability (AGTI). AGTIs are encountered in growing epitaxial films exposed to extrinsic elastic stress. For viral shells, the AGTI relieves intrinsic elastic stresses by generating corrugation along the perimeter of the assembling shell. The buckling transition of Lidmar, Mirny, and Nelson provides an alternative mechanism for stress release, which in principle would allow for avoidance of AGTIs. For system parameters appropriate for viral shells however, the AGTI appears to be unavoidable. The azimuthal stress condensation produced by the AGTI might actually assist assembly by providing a guiding mechanism for the insertion of pentamers during viral assembly.

Monitoring Physiological Changes in Haloarchaeal Cell during Virus Release

PubMed Central

Svirskaitė, Julija; Oksanen, Hanna M.; Daugelavičius, Rimantas; Bamford, Dennis H.

2016-01-01

The slow rate of adsorption and non-synchronous release of some archaeal viruses have hindered more thorough analyses of the mechanisms of archaeal virus release. To address this deficit, we utilized four viruses that infect Haloarcula hispanica that represent the four virion morphotypes currently known for halophilic euryarchaeal viruses: (1) icosahedral internal membrane-containing SH1; (2) icosahedral tailed HHTV-1; (3) spindle-shaped His1; and (4) pleomorphic His2. To discern the events occurring as the progeny viruses exit, we monitored culture turbidity, as well as viable cell and progeny virus counts of infected and uninfected cultures. In addition to these traditional metrics, we measured three parameters associated with membrane integrity: the binding of the lipophilic anion phenyldicarbaundecaborane, oxygen consumption, and both intra- and extra-cellular ATP levels. PMID:26927156

Digital Phase-Locked Loop With Phase And Frequency Feedback

NASA Technical Reports Server (NTRS)

Thomas, J. Brooks

1991-01-01

Advanced design for digital phase-lock loop (DPLL) allows loop gains higher than those used in other designs. Divided into two major components: counterrotation processor and tracking processor. Notable features include use of both phase and rate-of-change-of-phase feedback instead of frequency feedback alone, normalized sine phase extractor, improved method for extracting measured phase, and improved method for "compressing" output rate.

Phase calibration target for quantitative phase imaging with ptychography.

PubMed

Godden, T M; Muñiz-Piniella, A; Claverley, J D; Yacoot, A; Humphry, M J

2016-04-04

Quantitative phase imaging (QPI) utilizes refractive index and thickness variations that lead to optical phase shifts. This gives contrast to images of transparent objects. In quantitative biology, phase images are used to accurately segment cells and calculate properties such as dry mass, volume and proliferation rate. The fidelity of the measured phase shifts is of critical importance in this field. However to date, there has been no standardized method for characterizing the performance of phase imaging systems. Consequently, there is an increasing need for protocols to test the performance of phase imaging systems using well-defined phase calibration and resolution targets. In this work, we present a candidate for a standardized phase resolution target, and measurement protocol for the determination of the transfer of spatial frequencies, and sensitivity of a phase imaging system. The target has been carefully designed to contain well-defined depth variations over a broadband range of spatial frequencies. In order to demonstrate the utility of the target, we measure quantitative phase images on a ptychographic microscope, and compare the measured optical phase shifts with Atomic Force Microscopy (AFM) topography maps and surface profile measurements from coherence scanning interferometry. The results show that ptychography has fully quantitative nanometer sensitivity in optical path differences over a broadband range of spatial frequencies for feature sizes ranging from micrometers to hundreds of micrometers.

Small Business Innovation Research GRC Phase I, Phase II, and Post-Phase II Opportunity Assessment for 2015

NASA Technical Reports Server (NTRS)

Nguyen, Hung D.; Steele, Gynelle C.

2016-01-01

This report outlines the 2015 Small Business Innovation Research/Small Business Technology Transfer (SBIR/STTR) Phase I, Phase II, and Post-Phase II opportunity contract award results associated with NASA's Aeronautics Research Mission Directorate (ARMD), Human Exploration and Operations Mission Directorate (HEOMD), Science Mission Directorate (SMD), and Space Technology Mission Directorate (STMD) for NASA Glenn Research Center. The report also highlights the number of Phase I, Phase II, and Post-Phase II contracts awarded by mission directorate. The 2015 Phase I contract awards to companies in Ohio and their corresponding technologies are also discussed.

Phase-locked loop with controlled phase slippage

DOEpatents

Mestha, L.K.

1994-03-29

A system for synchronizing a first subsystem controlled by a changing frequency sweeping from a first frequency to a second frequency, with a second subsystem operating at a steady state second frequency is described. Trip plan parameters are calculated in advance to determine the phase relationship between the frequencies of the first subsystem and second subsystem in order to obtain synchronism at the end of the frequency sweep of the first subsystem. During the time in which the frequency of the first subsystem is sweeping from the first frequency to the second frequency, the phase locked system compares the actual phase difference with the trip plan phase difference and incrementally changes the sweep frequency in a manner so that phase lock is achieved when the first subsystem reaches a frequency substantially identical to that of the second subsystem. 10 figures.

Phase-locked loop with controlled phase slippage

DOEpatents

Mestha, Lingappa K.

1994-01-01

A system for synchronizing a first subsystem controlled by a changing frequency sweeping from a first frequency to a second frequency, with a second subsystem operating at a steady state second frequency. Trip plan parameters are calculated in advance to determine the phase relationship between the frequencies of the first subsystem and second subsystem in order to obtain synchronism at the end of the frequency sweep of the first subsystem. During the time in which the frequency of the first subsystem is sweeping from the first frequency to the second frequency, the phase locked system compares the actual phase difference with the trip plan phase difference and incrementally changes the sweep frequency in a manner so that phase lock is achieved when the first subsystem reaches a frequency substantially identical to that of the second subsystem.

Research on effects of phase error in phase-shifting interferometer

NASA Astrophysics Data System (ADS)

Wang, Hongjun; Wang, Zhao; Zhao, Hong; Tian, Ailing; Liu, Bingcai

2007-12-01

Referring to phase-shifting interferometry technology, the phase shifting error from the phase shifter is the main factor that directly affects the measurement accuracy of the phase shifting interferometer. In this paper, the resources and sorts of phase shifting error were introduction, and some methods to eliminate errors were mentioned. Based on the theory of phase shifting interferometry, the effects of phase shifting error were analyzed in detail. The Liquid Crystal Display (LCD) as a new shifter has advantage as that the phase shifting can be controlled digitally without any mechanical moving and rotating element. By changing coded image displayed on LCD, the phase shifting in measuring system was induced. LCD's phase modulation characteristic was analyzed in theory and tested. Based on Fourier transform, the effect model of phase error coming from LCD was established in four-step phase shifting interferometry. And the error range was obtained. In order to reduce error, a new error compensation algorithm was put forward. With this method, the error can be obtained by process interferogram. The interferogram can be compensated, and the measurement results can be obtained by four-step phase shifting interferogram. Theoretical analysis and simulation results demonstrate the feasibility of this approach to improve measurement accuracy.

Phase computations and phase models for discrete molecular oscillators.

PubMed

Suvak, Onder; Demir, Alper

2012-06-11

Biochemical oscillators perform crucial functions in cells, e.g., they set up circadian clocks. The dynamical behavior of oscillators is best described and analyzed in terms of the scalar quantity, phase. A rigorous and useful definition for phase is based on the so-called isochrons of oscillators. Phase computation techniques for continuous oscillators that are based on isochrons have been used for characterizing the behavior of various types of oscillators under the influence of perturbations such as noise. In this article, we extend the applicability of these phase computation methods to biochemical oscillators as discrete molecular systems, upon the information obtained from a continuous-state approximation of such oscillators. In particular, we describe techniques for computing the instantaneous phase of discrete, molecular oscillators for stochastic simulation algorithm generated sample paths. We comment on the accuracies and derive certain measures for assessing the feasibilities of the proposed phase computation methods. Phase computation experiments on the sample paths of well-known biological oscillators validate our analyses. The impact of noise that arises from the discrete and random nature of the mechanisms that make up molecular oscillators can be characterized based on the phase computation techniques proposed in this article. The concept of isochrons is the natural choice upon which the phase notion of oscillators can be founded. The isochron-theoretic phase computation methods that we propose can be applied to discrete molecular oscillators of any dimension, provided that the oscillatory behavior observed in discrete-state does not vanish in a continuous-state approximation. Analysis of the full versatility of phase noise phenomena in molecular oscillators will be possible if a proper phase model theory is developed, without resorting to such approximations.

Transport properties and Stokes-Einstein relation in Al-rich liquid alloys

NASA Astrophysics Data System (ADS)

Jakse, N.; Pasturel, A.

2016-06-01

We use ab initio molecular dynamics simulations to study the transport properties and the validity of the Stokes-Einstein relation in Al-rich liquid alloys with Ni, Cu, and Zn as alloying elements. First, we show that the composition and temperature dependence of their transport properties present different behaviors, which can be related to their local structural ordering. Then, we evidence that the competition between the local icosahedral ordering and the local chemical ordering may cause the breakdown of the Stokes-Einstein relation even in the liquid phase. We demonstrate that this breakdown can be captured by entropy-scaling relationships developed by Rosenfeld and using the two-body excess entropy. Our findings provide a unique framework to study the relation between structure, thermodynamics, and dynamics in metallic melts and pave the way towards the explanation of various complex transport properties in metallic melts.

ALMA long baseline phase calibration using phase referencing

NASA Astrophysics Data System (ADS)

Asaki, Yoshiharu; Matsushita, Satoki; Fomalont, Edward B.; Corder, Stuartt A.; Nyman, Lars-Åke; Dent, William R. F.; Philips, Neil M.; Hirota, Akihiko; Takahashi, Satoko; Vila-Vilaro, Baltasar; Nikolic, Bojan; Hunter, Todd R.; Remijan, Anthony; Vlahakis, Catherine

2016-08-01

The Atacama Large Millimeter/submillimeter Array (ALMA) is the world's largest millimeter/submillimeter telescope and provides unprecedented sensitivities and spatial resolutions. To achieve the highest imaging capabilities, interferometric phase calibration for the long baselines is one of the most important subjects: The longer the baselines, the worse the phase stability becomes because of turbulent motions of the Earth's atmosphere, especially, the water vapor in the troposphere. To overcome this subject, ALMA adopts a phase correction scheme using a Water Vapor Radiometer (WVR) to estimate the amount of water vapor content along the antenna line of sight. An additional technique is phase referencing, in which a science target and a nearby calibrator are observed by turn by quickly changing the antenna pointing. We conducted feasibility studies of the hybrid technique with the WVR phase correction and the antenna Fast Switching (FS) phase referencing (WVR+FS phase correction) for the ALMA 16 km longest baselines in cases that (1) the same observing frequency both for a target and calibrator is used, and (2) higher and lower frequencies for a target and calibrator, respectively, with a typical switching cycle time of 20 s. It was found that the phase correction performance of the hybrid technique is promising where a nearby calibrator is located within roughly 3◦ from a science target, and that the phase correction with 20 s switching cycle time significantly improves the performance with the above separation angle criterion comparing to the 120 s switching cycle time. The currently trial phase calibration method shows the same performance independent of the observing frequencies. This result is especially important for the higher frequency observations because it becomes difficult to find a bright calibrator close to an arbitrary sky position. In the series of our experiments, it is also found that phase errors affecting the image quality come from not only

Structural Changes in PEO-PPO-PEO Gels Induced by Methylparaben and Dexamethasone Observed Using Time-Resolved SAXS

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

Meznarich, Norman A.K.; Juggernauth, K Anne; Batzli, Kiersten M

2011-11-17

Aqueous solutions of polyoxyethylene-polyoxypropylene-polyoxyethylene (PEO-PPO-PEO) triblock copolymers (commercially available as Pluronic surfactants) micellize and structurally arrange into cubic quasicrystalline lattices as their temperature is raised. This structural evolution is seen macroscopically as a gelation, and the presence of these ordered phases can be controlled through both polymer concentration and temperature. The presence of added solutes within the dispersions can also affect the onset and kinetics of structure formation. Here we investigate the structures formed in Pluronic F127 solutions ranging from 20 to 30% with two pharmaceutical additives [methylparaben (MP) and dexamethasone (DX)] using small-angle X-ray scattering (SAXS). We observe bothmore » the progressive evolution and breakdown of these structures as the temperature is increased from 0 to 80 °C. Additionally, we conducted time-resolved SAXS measurements to elucidate the kinetics of the structural evolution. On the basis of the evolution of scattering peaks as the samples were being heated, we suggest that added MP changes the nucleation behavior of fcc phases within the sample from a heterogeneous process to a more homogeneous distribution of nucleated species. MP and DX also stabilize the micelle lattices, allowing them to persevere at higher temperatures. We observed the unusual result that the presence of DX caused the primary peaks of the structure factor to be suppressed, while preserving the higher order peaks. The primary peaks reappeared at the highest temperatures tested.« less

Moon Phases

ERIC Educational Resources Information Center

Riddle, Bob

2010-01-01

When teaching Moon phases, the focus seems to be on the sequence of Moon phases and, in some grade levels, how Moon phases occur. Either focus can sometimes be a challenge, especially without the use of models and observations of the Moon. In this month's column, the author describes some of the lessons that he uses to teach the phases of the Moon…

Phase computations and phase models for discrete molecular oscillators

PubMed Central

2012-01-01

Background Biochemical oscillators perform crucial functions in cells, e.g., they set up circadian clocks. The dynamical behavior of oscillators is best described and analyzed in terms of the scalar quantity, phase. A rigorous and useful definition for phase is based on the so-called isochrons of oscillators. Phase computation techniques for continuous oscillators that are based on isochrons have been used for characterizing the behavior of various types of oscillators under the influence of perturbations such as noise. Results In this article, we extend the applicability of these phase computation methods to biochemical oscillators as discrete molecular systems, upon the information obtained from a continuous-state approximation of such oscillators. In particular, we describe techniques for computing the instantaneous phase of discrete, molecular oscillators for stochastic simulation algorithm generated sample paths. We comment on the accuracies and derive certain measures for assessing the feasibilities of the proposed phase computation methods. Phase computation experiments on the sample paths of well-known biological oscillators validate our analyses. Conclusions The impact of noise that arises from the discrete and random nature of the mechanisms that make up molecular oscillators can be characterized based on the phase computation techniques proposed in this article. The concept of isochrons is the natural choice upon which the phase notion of oscillators can be founded. The isochron-theoretic phase computation methods that we propose can be applied to discrete molecular oscillators of any dimension, provided that the oscillatory behavior observed in discrete-state does not vanish in a continuous-state approximation. Analysis of the full versatility of phase noise phenomena in molecular oscillators will be possible if a proper phase model theory is developed, without resorting to such approximations. PMID:22687330

Safety performance of traffic phases and phase transitions in three phase traffic theory.

PubMed

Xu, Chengcheng; Liu, Pan; Wang, Wei; Li, Zhibin

2015-12-01

Crash risk prediction models were developed to link safety to various phases and phase transitions defined by the three phase traffic theory. Results of the Bayesian conditional logit analysis showed that different traffic states differed distinctly with respect to safety performance. The random-parameter logit approach was utilized to account for the heterogeneity caused by unobserved factors. The Bayesian inference approach based on the Markov Chain Monte Carlo (MCMC) method was used for the estimation of the random-parameter logit model. The proposed approach increased the prediction performance of the crash risk models as compared with the conventional logit model. The three phase traffic theory can help us better understand the mechanism of crash occurrences in various traffic states. The contributing factors to crash likelihood can be well explained by the mechanism of phase transitions. We further discovered that the free flow state can be divided into two sub-phases on the basis of safety performance, including a true free flow state in which the interactions between vehicles are minor, and a platooned traffic state in which bunched vehicles travel in successions. The results of this study suggest that a safety perspective can be added to the three phase traffic theory. The results also suggest that the heterogeneity between different traffic states should be considered when estimating the risks of crash occurrences on freeways. Copyright © 2015 Elsevier Ltd. All rights reserved.

Phase transformation of mixed-phase clouds

NASA Astrophysics Data System (ADS)

Korolev, Alexei; Isaac, George

2003-01-01

The glaciation time of a mixed-phase cloud due to the Wegener-Bergeron-Findeisen mechanism is calculated using an adiabatic one-dimensional numerical model for the cases of zero, ascending, descending and oscillating vertical velocities. The characteristic values of the glaciation time are obtained for different concentrations of ice particles and liquid-water content. Steady state is not possible for the ice-water content/total water content ratio in a uniformly vertically moving mixed-phase parcel. The vertical oscillation of a cloud parcel may result in a periodic evaporation and activation of liquid droplets in the presence of ice particles during infinite time. After a certain time, the average ice-water content and liquid-water content reach a steady state. This phenomenon may explain the existence of long-lived mixed-phase stratiform layers. The obtained results are important for understanding the mechanisms of formation and life cycle of mixed-phase clouds.

Analyzing phase diagrams and phase transitions in networked competing populations

NASA Astrophysics Data System (ADS)

Ni, Y.-C.; Yin, H. P.; Xu, C.; Hui, P. M.

2011-03-01

Phase diagrams exhibiting the extent of cooperation in an evolutionary snowdrift game implemented in different networks are studied in detail. We invoke two independent payoff parameters, unlike a single payoff often used in most previous works that restricts the two payoffs to vary in a correlated way. In addition to the phase transition points when a single payoff parameter is used, phase boundaries separating homogeneous phases consisting of agents using the same strategy and a mixed phase consisting of agents using different strategies are found. Analytic expressions of the phase boundaries are obtained by invoking the ideas of the last surviving patterns and the relative alignments of the spectra of payoff values to agents using different strategies. In a Watts-Strogatz regular network, there exists a re-entrant phenomenon in which the system goes from a homogeneous phase into a mixed phase and re-enters the homogeneous phase as one of the two payoff parameters is varied. The non-trivial phase diagram accompanying this re-entrant phenomenon is quantitatively analyzed. The effects of noise and cooperation in randomly rewired Watts-Strogatz networks are also studied. The transition between a mixed phase and a homogeneous phase is identify to belong to the directed percolation universality class. The methods used in the present work are applicable to a wide range of problems in competing populations of networked agents.

Thermodynamic properties of hydrate phases immersed in ice phase

NASA Astrophysics Data System (ADS)

Belosludov, V. R.; Subbotin, O. S.; Krupskii, D. S.; Ikeshoji, T.; Belosludov, R. V.; Kawazoe, Y.; Kudoh, J.

2006-01-01

Thermodynamic properties and the pressure of hydrate phases immersed in the ice phase with the aim to understand the nature of self-preservation effect of methane hydrate in the framework of macroscopic and microscopic molecular models was studied. It was show that increasing of pressure is happen inside methane hydrate phases immersed in the ice phase under increasing temperature and if the ice structure does not destroy, the methane hydrate will have larger pressure than ice phase. This is because of the thermal expansion of methane hydrate in a few times larger than ice one. The thermal expansion of the hydrate is constrained by the thermal expansion of ice because it can remain in a region of stability within the methane hydrate phase diagram. The utter lack of preservation behavior in CS-II methane- ethane hydrate can be explain that the thermal expansion of ethane-methane hydrate coincide with than ice one it do not pent up by thermal expansion of ice. The pressure and density during the crossing of interface between ice and hydrate was found and dynamical and thermodynamic stability of this system are studied in accordance with relation between ice phase and hydrate phase.

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

Cameron, Maria K., E-mail: cameron@math.umd.edu

We develop computational tools for spectral analysis of stochastic networks representing energy landscapes of atomic and molecular clusters. Physical meaning and some properties of eigenvalues, left and right eigenvectors, and eigencurrents are discussed. We propose an approach to compute a collection of eigenpairs and corresponding eigencurrents describing the most important relaxation processes taking place in the system on its way to the equilibrium. It is suitable for large and complex stochastic networks where pairwise transition rates, given by the Arrhenius law, vary by orders of magnitude. The proposed methodology is applied to the network representing the Lennard-Jones-38 cluster created bymore » Wales's group. Its energy landscape has a double funnel structure with a deep and narrow face-centered cubic funnel and a shallower and wider icosahedral funnel. However, the complete spectrum of the generator matrix of the Lennard-Jones-38 network has no appreciable spectral gap separating the eigenvalue corresponding to the escape from the icosahedral funnel. We provide a detailed description of the escape process from the icosahedral funnel using the eigencurrent and demonstrate a superexponential growth of the corresponding eigenvalue. The proposed spectral approach is compared to the methodology of the Transition Path Theory. Finally, we discuss whether the Lennard-Jones-38 cluster is metastable from the points of view of a mathematician and a chemical physicist, and make a connection with experimental works.« less

Next generation of the self-consistent and environment-dependent Hamiltonian: Applications to various boron allotropes from zero- to three-dimensional structures

NASA Astrophysics Data System (ADS)

Tandy, P.; Yu, Ming; Leahy, C.; Jayanthi, C. S.; Wu, S. Y.

2015-03-01

An upgrade of the previous self-consistent and environment-dependent linear combination of atomic orbitals Hamiltonian (referred as SCED-LCAO) has been developed. This improved version of the semi-empirical SCED-LCAO Hamiltonian, in addition to the inclusion of self-consistent determination of charge redistribution, multi-center interactions, and modeling of electron-electron correlation, has taken into account the effect excited on the orbitals due to the atomic aggregation. This important upgrade has been subjected to a stringent test, the construction of the SCED-LCAO Hamiltonian for boron. It was shown that the Hamiltonian for boron has successfully characterized the electron deficiency of boron and captured the complex chemical bonding in various boron allotropes, including the planar and quasi-planar, the convex, the ring, the icosahedral, and the fullerene-like clusters, the two-dimensional monolayer sheets, and the bulk alpha boron, demonstrating its transferability, robustness, reliability, and predictive power. The molecular dynamics simulation scheme based on the Hamiltonian has been applied to explore the existence and the energetics of ˜230 compact boron clusters BN with N in the range from ˜100 to 768, including the random, the rhombohedral, and the spherical icosahedral structures. It was found that, energetically, clusters containing whole icosahedral B12 units are more stable for boron clusters of larger size (N > 200). The ease with which the simulations both at 0 K and finite temperatures were completed is a demonstration of the efficiency of the SCED-LCAO Hamiltonian.

Single-particle cryo-electron microscopy of Rift Valley fever virus

PubMed Central

Sherman, Michael B.; Freiberg, Alexander N.; Holbrook, Michael R.; Watowich, Stanley J.

2009-01-01

Rift Valley fever virus (RVFV; Bunyaviridae; Phlebovirus) is an emerging human veterinary pathogen causing acute hepatitis in ruminants and has the potential to Single-particle cryo-EM reconstruction of RVFV MP-12 hemorrhagic fever in humans. We report a three-dimensional reconstruction of RVFV vaccine strain MP-12 (RVFV MP-12) by cryo-electron microcopy using icosahedral symmetry of individual virions. Although the genomic core of RVFV MP-12 is apparently poorly ordered, the glycoproteins on the virus surface are highly symmetric and arranged on a T=12 icosahedral lattice. Our RVFV MP-12 structure allowed clear identification of inter-capsomer contacts and definition of possible glycoprotein arrangements within capsomers. This structure provides a detailed model for phleboviruses, opens new avenues for high-resolution structural studies of the bunyavirus family, and aids the design of antiviral diagnostics and effective subunit-vaccines. PMID:19304307

Single-particle cryo-electron microscopy of Rift Valley fever virus

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

Sherman, Michael B.; Sealy Center for Structural Biology and Molecular Biophysics, University of Texas Medical Branch, Galveston, TX 77555; Freiberg, Alexander N.

2009-04-25

Rift Valley fever virus (RVFV; Bunyaviridae; Phlebovirus) is an emerging human and veterinary pathogen causing acute hepatitis in ruminants and has the potential to cause hemorrhagic fever in humans. We report a three-dimensional reconstruction of RVFV vaccine strain MP-12 (RVFV MP-12) by cryo-electron microcopy using icosahedral symmetry of individual virions. Although the genomic core of RVFV MP-12 is apparently poorly ordered, the glycoproteins on the virus surface are highly symmetric and arranged on a T = 12 icosahedral lattice. Our RVFV MP-12 structure allowed clear identification of inter-capsomer contacts and definition of possible glycoprotein arrangements within capsomers. This structure providesmore » a detailed model for phleboviruses, opens new avenues for high-resolution structural studies of the bunyavirus family, and aids the design of antiviral diagnostics and effective subunit vaccines.« less

Phase-space evolution of x-ray coherence in phase-sensitive imaging.

PubMed

Wu, Xizeng; Liu, Hong

2008-08-01

X-ray coherence evolution in the imaging process plays a key role for x-ray phase-sensitive imaging. In this work we present a phase-space formulation for the phase-sensitive imaging. The theory is reformulated in terms of the cross-spectral density and associated Wigner distribution. The phase-space formulation enables an explicit and quantitative account of partial coherence effects on phase-sensitive imaging. The presented formulas for x-ray spectral density at the detector can be used for performing accurate phase retrieval and optimizing the phase-contrast visibility. The concept of phase-space shearing length derived from this phase-space formulation clarifies the spatial coherence requirement for phase-sensitive imaging with incoherent sources. The theory has been applied to x-ray Talbot interferometric imaging as well. The peak coherence condition derived reveals new insights into three-grating-based Talbot-interferometric imaging and gratings-based x-ray dark-field imaging.

PHASE DETECTOR

DOEpatents

Kippenhan, D.O.

1959-09-01

A phase detector circuit is described for use at very high frequencies of the order of 50 megacycles. The detector circuit includes a pair of rectifiers inverted relative to each other. One voltage to be compared is applied to the two rectifiers in phase opposition and the other voltage to be compared is commonly applied to the two rectifiers. The two result:ng d-c voltages derived from the rectifiers are combined in phase opposition to produce a single d-c voltage having amplitude and polarity characteristics dependent upon the phase relation between the signals to be compared. Principal novelty resides in the employment of a half-wave transmission line to derive the phase opposing signals from the first voltage to be compared for application to the two rectifiers in place of the transformer commonly utilized for such purpose in phase detector circuits for operation at lower frequency.

Probabilistic physical characteristics of phase transitions at highway bottlenecks: incommensurability of three-phase and two-phase traffic-flow theories.

PubMed

Kerner, Boris S; Klenov, Sergey L; Schreckenberg, Michael

2014-05-01

Physical features of induced phase transitions in a metastable free flow at an on-ramp bottleneck in three-phase and two-phase cellular automaton (CA) traffic-flow models have been revealed. It turns out that at given flow rates at the bottleneck, to induce a moving jam (F → J transition) in the metastable free flow through the application of a time-limited on-ramp inflow impulse, in both two-phase and three-phase CA models the same critical amplitude of the impulse is required. If a smaller impulse than this critical one is applied, neither F → J transition nor other phase transitions can occur in the two-phase CA model. We have found that in contrast with the two-phase CA model, in the three-phase CA model, if the same smaller impulse is applied, then a phase transition from free flow to synchronized flow (F → S transition) can be induced at the bottleneck. This explains why rather than the F → J transition, in the three-phase theory traffic breakdown at a highway bottleneck is governed by an F → S transition, as observed in real measured traffic data. None of two-phase traffic-flow theories incorporates an F → S transition in a metastable free flow at the bottleneck that is the main feature of the three-phase theory. On the one hand, this shows the incommensurability of three-phase and two-phase traffic-flow theories. On the other hand, this clarifies why none of the two-phase traffic-flow theories can explain the set of fundamental empirical features of traffic breakdown at highway bottlenecks.

Quantitative phase imaging using grating-based quadrature phase interferometer

NASA Astrophysics Data System (ADS)

Wu, Jigang; Yaqoob, Zahid; Heng, Xin; Cui, Xiquan; Yang, Changhuei

2007-02-01

In this paper, we report the use of holographic gratings, which act as the free-space equivalent of the 3x3 fiber-optic coupler, to perform full field phase imaging. By recording two harmonically-related gratings in the same holographic plate, we are able to obtain nontrivial phase shift between different output ports of the gratings-based Mach-Zehnder interferometer. The phase difference can be adjusted by changing the relative phase of the recording beams when recording the hologram. We have built a Mach-Zehnder interferometer using harmonically-related holographic gratings with 600 and 1200 lines/mm spacing. Two CCD cameras at the output ports of the gratings-based Mach-Zehnder interferometer are used to record the full-field quadrature interferograms, which are subsequently processed to reconstruct the phase image. The imaging system has ~12X magnification with ~420μmx315μm field-of-view. To demonstrate the capability of our system, we have successfully performed phase imaging of a pure phase object and a paramecium caudatum.

Experiments on sparsity assisted phase retrieval of phase objects

NASA Astrophysics Data System (ADS)

Gaur, Charu; Lochab, Priyanka; Khare, Kedar

2017-05-01

Iterative phase retrieval algorithms such as the Gerchberg-Saxton method and the Fienup hybrid input-output method are known to suffer from the twin image stagnation problem, particularly when the solution to be recovered is complex valued and has centrosymmetric support. Recently we showed that the twin image stagnation problem can be addressed using image sparsity ideas (Gaur et al 2015 J. Opt. Soc. Am. A 32 1922). In this work we test this sparsity assisted phase retrieval method with experimental single shot Fourier transform intensity data frames corresponding to phase objects displayed on a spatial light modulator. The standard iterative phase retrieval algorithms are combined with an image sparsity based penalty in an adaptive manner. Illustrations for both binary and continuous phase objects are provided. It is observed that image sparsity constraint has an important role to play in obtaining meaningful phase recovery without encountering the well-known stagnation problems. The results are valuable for enabling single shot coherent diffraction imaging of phase objects for applications involving illumination wavelengths over a wide range of electromagnetic spectrum.

Phase-amplitude coupling supports phase coding in human ECoG

PubMed Central

Watrous, Andrew J; Deuker, Lorena; Fell, Juergen; Axmacher, Nikolai

2015-01-01

Prior studies have shown that high-frequency activity (HFA) is modulated by the phase of low-frequency activity. This phenomenon of phase-amplitude coupling (PAC) is often interpreted as reflecting phase coding of neural representations, although evidence for this link is still lacking in humans. Here, we show that PAC indeed supports phase-dependent stimulus representations for categories. Six patients with medication-resistant epilepsy viewed images of faces, tools, houses, and scenes during simultaneous acquisition of intracranial recordings. Analyzing 167 electrodes, we observed PAC at 43% of electrodes. Further inspection of PAC revealed that category specific HFA modulations occurred at different phases and frequencies of the underlying low-frequency rhythm, permitting decoding of categorical information using the phase at which HFA events occurred. These results provide evidence for categorical phase-coded neural representations and are the first to show that PAC coincides with phase-dependent coding in the human brain. DOI: http://dx.doi.org/10.7554/eLife.07886.001 PMID:26308582

Eigenstate Phase Transitions

NASA Astrophysics Data System (ADS)

Zhao, Bo

Phase transitions are one of the most exciting physical phenomena ever discovered. The understanding of phase transitions has long been of interest. Recently eigenstate phase transitions have been discovered and studied; they are drastically different from traditional thermal phase transitions. In eigenstate phase transitions, a sharp change is exhibited in properties of the many-body eigenstates of the Hamiltonian of a quantum system, but not the thermal equilibrium properties of the same system. In this thesis, we study two different types of eigenstate phase transitions. The first is the eigenstate phase transition within the ferromagnetic phase of an infinite-range spin model. By studying the interplay of the eigenstate thermalization hypothesis and Ising symmetry breaking, we find two eigenstate phase transitions within the ferromagnetic phase: In the lowest-temperature phase the magnetization can macroscopically oscillate by quantum tunneling between up and down. The relaxation of the magnetization is always overdamped in the remainder of the ferromagnetic phase, which is further divided into phases where the system thermally activates itself over the barrier between the up and down states, and where it quantum tunnels. The second is the many-body localization phase transition. The eigenstates on one side of the transition obey the eigenstate thermalization hypothesis; the eigenstates on the other side are many-body localized, and thus thermal equilibrium need not be achieved for an initial state even after evolving for an arbitrary long time. We study this many-body localization phase transition in the strong disorder renormalization group framework. After setting up a set of coarse-graining rules for a general one dimensional chain, we get a simple "toy model'' and obtain an almost purely analytical solution to the infinite-randomness critical fixed point renormalization group equation. We also get an estimate of the correlation length critical exponent nu

Active phase locking of thirty fiber channels using multilevel phase dithering method

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

Huang, Zhimeng; Luo, Yongquan, E-mail: yongquan-l@sina.com; Liu, Cangli

2016-03-15

An active phase locking of a large-scale fiber array with thirty channels has been demonstrated experimentally. In the experiment, the first group of thirty phase controllers is used to compensate the phase noises between the elements and the second group of thirty phase modulators is used to impose additional phase disturbances to mimic the phase noises in the high power fiber amplifiers. A multi-level phase dithering algorithm using dual-level rectangular-wave phase modulation and time division multiplexing can achieve the same phase control as single/multi-frequency dithering technique, but without coherent demodulation circuit. The phase locking efficiency of 30 fiber channels ismore » achieved about 98.68%, 97.82%, and 96.50% with no additional phase distortion, modulated phase distortion I (±1 rad), and phase distortion II (±2 rad), corresponding to the phase error of λ/54, λ/43, and λ/34 rms. The contrast of the coherent combined beam profile is about 89%. Experimental results reveal that the multi-level phase dithering technique has great potential in scaling to a large number of laser beams.« less

Quantitative phase imaging using four interferograms with special phase shifts by dual-wavelength in-line phase-shifting interferometry

NASA Astrophysics Data System (ADS)

Xu, Xiaoqing; Wang, Yawei; Ji, Ying; Xu, Yuanyuan; Xie, Ming; Han, Hao

2018-05-01

A new approach of quantitative phase imaging using four interferograms with special phase shifts in dual-wavelength in-line phase-shifting interferometry is presented. In this method, positive negative 2π phase shifts are employed to easily separate the incoherent addition of two single-wavelength interferograms by combining the phase-shifting technique with the subtraction procedure, then the quantitative phase at one of both wavelengths can be achieved based on two intensities without the corresponding dc terms by the use of the character of the trigonometric function. The quantitative phase of the other wavelength can be retrieved from two dc-term suppressed intensities obtained by employing the two-step phase-shifting technique or the filtering technique in the frequency domain. The proposed method is illustrated with theory, and its effectiveness is demonstrated by simulation experiments of the spherical cap and the HeLa cell, respectively.

Presence of Two Virus-Like Particles in Penicillium citrinum

PubMed Central

Volterra, L.; Cassone, A.; Tonolo, A.; Bruzzone, M. L.

1975-01-01

Two icosahedral virus-like particles (28 and 19 nm in diameter, respectively) have been detected in sporogenic and asporogenic segregants of a strain of Penicillium citrinum. The distribution of the two particles differed among the two segregants. Images PMID:50049

Characterization of a Nepovirus causing a leaf mottling disease in Petunia hybrida

USDA-ARS?s Scientific Manuscript database

This report describes the complete genome sequence and characterization of a new virus infecting petunia. Icosahedral virus-like particles were isolated from Petunia hybrida cuttings with interveinal chlorotic mottling. The virus was transmitted by mechanical inoculation from infected to healthy P. ...

The diversity of the orthoreoviruses: molecular taxonomy and phylogentic divides.

USDA-ARS?s Scientific Manuscript database

The family Reoviridae is a diverse group of viruses with double-stranded ribonucleic acid (RNA) genomes contained within icosahedral, layered protein capsids. Within the Reoviridae, the Orthoreovirus genus includes viruses that infect reptiles, birds and mammals (including humans). Recent sequencing...

Speedup of minimum discontinuity phase unwrapping algorithm with a reference phase distribution

NASA Astrophysics Data System (ADS)

Liu, Yihang; Han, Yu; Li, Fengjiao; Zhang, Qican

2018-06-01

In three-dimensional (3D) shape measurement based on phase analysis, the phase analysis process usually produces a wrapped phase map ranging from - π to π with some 2 π discontinuities, and thus a phase unwrapping algorithm is necessary to recover the continuous and nature phase map from which 3D height distribution can be restored. Usually, the minimum discontinuity phase unwrapping algorithm can be used to solve many different kinds of phase unwrapping problems, but its main drawback is that it requires a large amount of computations and has low efficiency in searching for the improving loop within the phase's discontinuity area. To overcome this drawback, an improvement to speedup of the minimum discontinuity phase unwrapping algorithm by using the phase distribution on reference plane is proposed. In this improved algorithm, before the minimum discontinuity phase unwrapping algorithm is carried out to unwrap phase, an integer number K was calculated from the ratio of the wrapped phase to the nature phase on a reference plane. And then the jump counts of the unwrapped phase can be reduced by adding 2K π, so the efficiency of the minimum discontinuity phase unwrapping algorithm is significantly improved. Both simulated and experimental data results verify the feasibility of the proposed improved algorithm, and both of them clearly show that the algorithm works very well and has high efficiency.

Three-Phase and Six-Phase AC at the Lab Bench

ERIC Educational Resources Information Center

Caplan, George M.

2009-01-01

Utility companies generate three-phase electric power, which consists of three sinusoidal voltages with phase angles of 0 degrees, 120 degrees, and 240 degrees. The ac generators described in most introductory textbooks are single-phase generators, so physics students are not likely to learn about three-phase power. I have developed a simple way…

Quantifying phase synchronization using instances of Hilbert phase slips

NASA Astrophysics Data System (ADS)

Govindan, R. B.

2018-07-01

We propose to quantify phase synchronization between two signals, x(t) and y(t), by calculating variance in the Hilbert phase of y(t) at instances of phase slips exhibited by x(t). The proposed approach is tested on numerically simulated coupled chaotic Roessler systems and second order autoregressive processes. Furthermore we compare the performance of the proposed and original approaches using uterine electromyogram signals and show that both approaches yield consistent results A standard phase synchronization approach, which involves unwrapping the Hilbert phases (ϕ1(t) and ϕ2(t)) of the two signals and analyzing the variance in the | n ṡϕ1(t) - m ṡϕ2(t) | , mod 2 π, (n and m are integers), was used for comparison. The synchronization indexes obtained from the proposed approach and the standard approach agree reasonably well in all of the systems studied in this work. Our results indicate that the proposed approach, unlike the traditional approach, does not require the non-invertible transformations - unwrapping of the phases and calculation of mod 2 π and it can be used to reliably to quantify phase synchrony between two signals.

Luteal phase hyperprolactinemia.

PubMed

Falk, R J; Anderson, L

1994-01-01

To determine the incidence of both isolated and repetitive prolactin elevations in the luteal phase of otherwise normoprolactinemic women. To see if sporadic luteal-phase hyperprolactinemia is associated with progesterone deficiency, and to explore a possible physiological basis for sporadic hyperprolactinemia by TRH challenge. Hospital-based reproductive endocrinology/infertility service. Prospective measurement of luteal phase serum progesterone and prolactin in normoprolactinemic ovulatory women. TRH stimulation testing in volunteers with repetitive luteal phase hyperprolactinemia and normoprolactinemic controls. 133 sequentially selected infertile, ovulatory women with normal prolactin levels in the proliferative phase of the cycle. Measurement of serum progesterone and prolactin during the luteal phase, based on the day of the LH surge. TRH testing in the midluteal phase of the cycle in patients with two or more luteal phase prolactin elevations, and in five normoprolactinemic volunteers in both the preovulatory and midluteal phase. Of 133 subjects, 85 (64%) had no prolactin level exceeding 20 ng/mL in the luteal phase. Thirty-three (25%) had two or more elevated levels, and were considered to have repetitive luteal phase hyperprolactinemia (LPH). TRH testing in control subjects resulted in a greater prolactin response in the preovulatory phase. The group with LPH demonstrated an initial elevation of prolactin greater than that of the normoprolactinemic controls, but a subsequent drop to levels lower than both preovulatory and midluteal normoprolactinemic controls by 45 minutes. Sporadic luteal-phase hyperprolactinemia is a relatively common event (36% of 133 subjects in the present series). Of these 48 women, 33 (69%) had repetitive elevations, suggesting the elevation in these subjects to be more than a random event. The physiological validity of this observation is further demonstrated by an abnormal response to TRH stimulation, but the normal levels of

A phased approach to clinical testing: criteria for progressing from Phase I to Phase II to Phase III studies.

PubMed

André, F E; Foulkes, M A

1998-01-01

The overall intent of clinical testing is to establish, in a series of phased studies, the clinical tolerance and acceptable "safety" of the candidate vaccine, as well as the type, level and persistence of the immune response after its inoculation, to a representative target population, according to a convenient administration schedule. The final stages involve the direct or indirect demonstration of protective efficacy, if possible in the population(s) for which the vaccine is intended. In addition, consistency of production must be demonstrated. At all these stages, the amount of prior information from preclinical and other studies affects and informs the objectives and design of subsequent studies. Progression from one testing phase to the next is dependent upon attaining the pre-set objectives of each series of studies. The precise objectives to be met will be decided on a case-by-case basis. The earliest assessments in humans (Phase I) involve evaluation of short-term clinical tolerance as measured by local and general reactogenicity, and gross assessments of immunogenicity, in a small number of highly selected individuals in an idealised situation. The selection of "optimal" dose and schedule are the result of further dose-ranging investigations (Phase II), involving more volunteers, with longer, more detailed follow-up assessments. It is at this stage that the accumulated evidence on its immunogenicity profile should be sufficient to assess whether or not the vaccine is worthy of further development. The next level of investigation (Phase III) aims to measure with greater precision the vaccine protective efficacy in the intended target population(s) by comparison of infection and/or disease attack rates in vaccine and placebo recipients. In consistency studies different production lots, manufactured at commercial scale, are tested to demonstrate consistency of manufacture. Additional bridging studies to establish similarity of lots at different production

Improved phase sensitivity in spectral domain phase microscopy using line-field illumination and self phase-referencing

PubMed Central

Yaqoob, Zahid; Choi, Wonshik; Oh, Seungeun; Lue, Niyom; Park, Yongkeun; Fang-Yen, Christopher; Dasari, Ramachandra R.; Badizadegan, Kamran; Feld, Michael S.

2010-01-01

We report a quantitative phase microscope based on spectral domain optical coherence tomography and line-field illumination. The line illumination allows self phase-referencing method to reject common-mode phase noise. The quantitative phase microscope also features a separate reference arm, permitting the use of high numerical aperture (NA > 1) microscope objectives for high resolution phase measurement at multiple points along the line of illumination. We demonstrate that the path-length sensitivity of the instrument can be as good as 41 pm/Hz, which makes it suitable for nanometer scale study of cell motility. We present the detection of natural motions of cell surface and two-dimensional surface profiling of a HeLa cell. PMID:19550464

Grating-based x-ray differential phase contrast imaging with twin peaks in phase-stepping curves—phase retrieval and dewrapping

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

Yang, Yi; Xie, Huiqiao; Tang, Xiangyang, E-mail: xiangyang.tang@emory.edu

Purpose: X-ray differential phase contrast CT implemented with Talbot interferometry employs phase-stepping to extract information of x-ray attenuation, phase shift, and small-angle scattering. Since inaccuracy may exist in the absorption grating G{sub 2} due to an imperfect fabrication, the effective period of G{sub 2} can be as large as twice the nominal period, leading to a phenomenon of twin peaks that differ remarkably in their heights. In this work, the authors investigate how to retrieve and dewrap the phase signal from the phase-stepping curve (PSC) with the feature of twin peaks for x-ray phase contrast imaging. Methods: Based on themore » paraxial Fresnel–Kirchhoff theory, the analytical formulae to characterize the phenomenon of twin peaks in the PSC are derived. Then an approach to dewrap the retrieved phase signal by jointly using the phases of the first- and second-order Fourier components is proposed. Through an experimental investigation using a prototype x-ray phase contrast imaging system implemented with Talbot interferometry, the authors evaluate and verify the derived analytic formulae and the proposed approach for phase retrieval and dewrapping. Results: According to theoretical analysis, the twin-peak phenomenon in PSC is a consequence of combined effects, including the inaccuracy in absorption grating G{sub 2}, mismatch between phase grating and x-ray source spectrum, and finite size of x-ray tube’s focal spot. The proposed approach is experimentally evaluated by scanning a phantom consisting of organic materials and a lab mouse. The preliminary data show that compared to scanning G{sub 2} over only one single nominal period and correcting the measured phase signal with an intuitive phase dewrapping method that is being used in the field, stepping G{sub 2} over twice its nominal period and dewrapping the measured phase signal with the proposed approach can significantly improve the quality of x-ray differential phase contrast imaging

Phase transformations during the growth of paracetamol crystals from the vapor phase

NASA Astrophysics Data System (ADS)

Belyaev, A. P.; Rubets, V. P.; Antipov, V. V.; Bordei, N. S.

2014-07-01

Phase transformations during the growth of paracetamol crystals from the vapor phase are studied by differential scanning calorimetry. It is found that the vapor-crystal phase transition is actually a superposition of two phase transitions: a first-order phase transition with variable density and a second-order phase transition with variable ordering. The latter, being a diffuse phase transition, results in the formation of a new, "pretransition," phase irreversibly spent in the course of the transition, which ends in the appearance of orthorhombic crystals. X-ray diffraction data and micrograph are presented.

Using the phase-space imager to analyze partially coherent imaging systems: bright-field, phase contrast, differential interference contrast, differential phase contrast, and spiral phase contrast

NASA Astrophysics Data System (ADS)

Mehta, Shalin B.; Sheppard, Colin J. R.

2010-05-01

Various methods that use large illumination aperture (i.e. partially coherent illumination) have been developed for making transparent (i.e. phase) specimens visible. These methods were developed to provide qualitative contrast rather than quantitative measurement-coherent illumination has been relied upon for quantitative phase analysis. Partially coherent illumination has some important advantages over coherent illumination and can be used for measurement of the specimen's phase distribution. However, quantitative analysis and image computation in partially coherent systems have not been explored fully due to the lack of a general, physically insightful and computationally efficient model of image formation. We have developed a phase-space model that satisfies these requirements. In this paper, we employ this model (called the phase-space imager) to elucidate five different partially coherent systems mentioned in the title. We compute images of an optical fiber under these systems and verify some of them with experimental images. These results and simulated images of a general phase profile are used to compare the contrast and the resolution of the imaging systems. We show that, for quantitative phase imaging of a thin specimen with matched illumination, differential phase contrast offers linear transfer of specimen information to the image. We also show that the edge enhancement properties of spiral phase contrast are compromised significantly as the coherence of illumination is reduced. The results demonstrate that the phase-space imager model provides a useful framework for analysis, calibration, and design of partially coherent imaging methods.

Phase unwrapping algorithm using polynomial phase approximation and linear Kalman filter.

PubMed

Kulkarni, Rishikesh; Rastogi, Pramod

2018-02-01

A noise-robust phase unwrapping algorithm is proposed based on state space analysis and polynomial phase approximation using wrapped phase measurement. The true phase is approximated as a two-dimensional first order polynomial function within a small sized window around each pixel. The estimates of polynomial coefficients provide the measurement of phase and local fringe frequencies. A state space representation of spatial phase evolution and the wrapped phase measurement is considered with the state vector consisting of polynomial coefficients as its elements. Instead of using the traditional nonlinear Kalman filter for the purpose of state estimation, we propose to use the linear Kalman filter operating directly with the wrapped phase measurement. The adaptive window width is selected at each pixel based on the local fringe density to strike a balance between the computation time and the noise robustness. In order to retrieve the unwrapped phase, either a line-scanning approach or a quality guided strategy of pixel selection is used depending on the underlying continuous or discontinuous phase distribution, respectively. Simulation and experimental results are provided to demonstrate the applicability of the proposed method.

Isotropic differential phase contrast microscopy for quantitative phase bio-imaging.

PubMed

Chen, Hsi-Hsun; Lin, Yu-Zi; Luo, Yuan

2018-05-16

Quantitative phase imaging (QPI) has been investigated to retrieve optical phase information of an object and applied to biological microscopy and related medical studies. In recent examples, differential phase contrast (DPC) microscopy can recover phase image of thin sample under multi-axis intensity measurements in wide-field scheme. Unlike conventional DPC, based on theoretical approach under partially coherent condition, we propose a new method to achieve isotropic differential phase contrast (iDPC) with high accuracy and stability for phase recovery in simple and high-speed fashion. The iDPC is simply implemented with a partially coherent microscopy and a programmable thin-film transistor (TFT) shield to digitally modulate structured illumination patterns for QPI. In this article, simulation results show consistency of our theoretical approach for iDPC under partial coherence. In addition, we further demonstrate experiments of quantitative phase images of a standard micro-lens array, as well as label-free live human cell samples. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Phase-field model for isothermal phase transitions in binary alloys

NASA Technical Reports Server (NTRS)

Wheeler, A. A.; Boettinger, W. J.; Mcfadden, G. B.

1992-01-01

A new phase field model is described which models isothermal phase transitions between ideal binary alloy solution phases. Equations are developed for the temporal and spatial variation of the phase field, which describes the identity of the phase, and of the composition. An asymptotic analysis, as the gradient energy coefficient of the phase field becomes small, was conducted. From the analysis, it is shown that the model recovers classical sharp interface models of this situation when the interfacial layers are thin, and they show how to relate the parameters appearing in the phase field model to material and growth parameters in real systems. Further, three stages of temporal evolution are identified: the first corresponding to interfacial genesis which occurs very rapidly; the second to interfacial motion controlled by the local energy difference across the interface and diffusion; the last taking place on a long time scale in which curvature effects are important and which correspond to Ostwald ripening. The results of the numerical calculations are presented.

Digital phase-lock loop

NASA Technical Reports Server (NTRS)

Thomas, Jr., Jess B. (Inventor)

1991-01-01

An improved digital phase lock loop incorporates several distinctive features that attain better performance at high loop gain and better phase accuracy. These features include: phase feedback to a number-controlled oscillator in addition to phase rate; analytical tracking of phase (both integer and fractional cycles); an amplitude-insensitive phase extractor; a more accurate method for extracting measured phase; a method for changing loop gain during a track without loss of lock; and a method for avoiding loss of sampled data during computation delay, while maintaining excellent tracking performance. The advantages of using phase and phase-rate feedback are demonstrated by comparing performance with that of rate-only feedback. Extraction of phase by the method of modeling provides accurate phase measurements even when the number-controlled oscillator phase is discontinuously updated.

Transport properties and Stokes-Einstein relation in Al-rich liquid alloys

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

Jakse, N.; Pasturel, A.

We use ab initio molecular dynamics simulations to study the transport properties and the validity of the Stokes-Einstein relation in Al-rich liquid alloys with Ni, Cu, and Zn as alloying elements. First, we show that the composition and temperature dependence of their transport properties present different behaviors, which can be related to their local structural ordering. Then, we evidence that the competition between the local icosahedral ordering and the local chemical ordering may cause the breakdown of the Stokes–Einstein relation even in the liquid phase. We demonstrate that this breakdown can be captured by entropy-scaling relationships developed by Rosenfeld andmore » using the two-body excess entropy. Our findings provide a unique framework to study the relation between structure, thermodynamics, and dynamics in metallic melts and pave the way towards the explanation of various complex transport properties in metallic melts.« less

Correlation of Mechanical Properties in Bulk Metallic Glasses with 27Al NMR Characteristics

DTIC Science & Technology

2011-12-01

recycle delay of 300 ms. Magnetization measurements were conducted at room temperature using a Quantum Design SQUID magne- tometer. The magnetization of...Gangopadhyay A K, et al. First X-ray scattering studies on electrostatically levitated metallic liquids: Demonstrated influence of local icosahedral

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.

Single phase inverter for a three phase power generation and distribution system

NASA Technical Reports Server (NTRS)

Lindena, S. J.

1976-01-01

A breadboard design of a single-phase inverter with sinusoidal output voltage for a three-phase power generation and distribution system was developed. The three-phase system consists of three single-phase inverters, whose output voltages are connected in a delta configuration. Upon failure of one inverter the two remaining inverters will continue to deliver three-phase power. Parallel redundancy as offered by two three-phase inverters is substituted by one three-phase inverter assembly with high savings in volume, weight, components count and complexity, and a considerable increase in reliability. The following requirements must be met: (1) Each single-phase, current-fed inverter must be capable of being synchronized to a three-phase reference system such that its output voltage remains phaselocked to its respective reference voltage. (2) Each single-phase, current-fed inverter must be capable of accepting leading and lagging power factors over a range from -0.7 through 1 to +0.7.

New ligand platforms featuring boron-rich clusters as organomimetic substituents*,**

PubMed Central

Spokoyny, Alexander M.

2013-01-01

200 years of research with carbon-rich molecules have shaped the development of modern chemistry. Research pertaining to the chemistry of boron-rich species has historically trailed behind its more distinguished neighbor (carbon) in the periodic table. Notably, a potentially rich and, in many cases, unmatched field of coordination chemistry using boronrich clusters remains fundamentally underdeveloped. Our work has been devoted to examining several basic concepts related to the functionalization of icosahedral boron-rich clusters and their use as ligands, aimed at designing fundamentally new hybrid molecular motifs and materials. Particularly interesting are icosahedral carboranes, which can be regarded as 3D analogs of benzene. These species comprise a class of boron-rich clusters that were discovered in the 1950s during the “space race” while researchers were developing energetic materials for rocket fuels. Ultimately, the unique chemical and physical properties of carborane species, such as rigidity, indefinite stability to air and moisture, and 3D aromaticity, may allow one to access a set of properties not normally available in carbon-based chemistry. While technically these species are considered as inorganic clusters, the chemical properties they possess make these boron-rich species suitable for replacing and/or altering structural and functional features of the organic and organometallic molecules—a phenomenon best described as “organomimetic”. Aside from purely fundamental features associated with the organomimetic chemistry of icosahedral carboranes, their use can also provide new avenues in the development of systems relevant to solving current problems associated with energy production, storage, and conversion. PMID:24311823

How faceted liquid droplets grow tails: from surface topology to active motion

NASA Astrophysics Data System (ADS)

Sloutskin, Eli

Among all possible shapes of a volume V, a sphere has the smallest surface area A. Therefore, liquid droplets are spherical, minimizing their interfacial energy γA for a given interfacial tension γ > 0 . This talk will demonstrate that liquid oil (alkane) droplets in water, stabilized by a common surfactant can be temperature-tuned to adopt icosahedral and other faceted shapes, above the bulk melting temperature of the oil. Although emulsions have been studied for centuries no faceted liquid droplets have ever been reported. The formation of an icosahedral shape is attributed to the interplay between γ and the elastic properties of the interfacial monomolecular layer, which crystallizes here 10-15K above bulk melting, leaving the droplet's bulk liquid. The icosahedral symmetry is dictated by twelve five-fold topological defects, forming within the hexagonally-packed interfacial crystalline monolayer. Moreover, we demonstrate that upon further cooling this `interfacial freezing' effect makes γ transiently switch its sign, leading to a spontaneous splitting of droplets and an active growth of their surface area, reminiscent of the classical spontaneous emulsification, yet driven by completely different physics. The observed phenomena allow deeper insights to be gained into the fundamentals of molecular elasticity and open new vitas for a wide range of novel nanotechnological applications, from self-assembly of complex shapes to new delivery strategies in bio-medicine. Acknowledgment is made to the Donors of the American Chemical Society Petroleum Research Fund for support of this research and to the Kahn Foundation for the purchase of equipment.

Changes in the stability and biomechanics of P22 bacteriophage capsid during maturation.

PubMed

Kant, Ravi; Llauró, Aida; Rayaprolu, Vamseedhar; Qazi, Shefah; de Pablo, Pedro J; Douglas, Trevor; Bothner, Brian

2018-03-15

The capsid of P22 bacteriophage undergoes a series of structural transitions during maturation that guide it from spherical to icosahedral morphology. The transitions include the release of scaffold proteins and capsid expansion. Although P22 maturation has been investigated for decades, a unified model that incorporates thermodynamic and biophysical analyses is not available. A general and specific model of icosahedral capsid maturation is of significant interest to theoreticians searching for fundamental principles as well as virologists and material scientists seeking to alter maturation to their advantage. To address this challenge, we have combined the results from orthogonal biophysical techniques including differential scanning fluorimetry, atomic force microscopy, circular dichroism, and hydrogen-deuterium exchange mass spectrometry. By integrating these results from single particle and population measurements, an energy landscape of P22 maturation from procapsid through expanded shell to wiffle ball emerged, highlighting the role of metastable structures and the thermodynamics guiding maturation. The propagation of weak quaternary interactions across symmetric elements of the capsid is a key component for stability in P22. A surprising finding is that the progression to wiffle ball, which lacks pentamers, shows that chemical and thermal stability can be uncoupled from mechanical rigidity, elegantly demonstrating the complexity inherent in capsid protein interactions and the emergent properties that can arise from icosahedral symmetry. On a broader scale, this work demonstrates the power of applying orthogonal biophysical techniques to elucidate assembly mechanisms for supramolecular complexes and provides a framework within which other viral systems can be compared. Copyright © 2018 Elsevier B.V. All rights reserved.

Nanometer scale atomic structure of zirconium based bulk metallic glass

NASA Astrophysics Data System (ADS)

Hwang, Jinwoo

We have studied the nanometer scale structure of bulk metallic glass (BMG) using fluctuation electron microscopy (FEM). The nanometer scale medium range order (MRO) in BMG is of significant interest because of its possible relationship to the properties, but the experimental study of the MRO is difficult because conventional diffraction techniques are not sensitive to the MRO scale. FEM is a quantitative transmission electron microscopy technique which measures the nanoscale structural fluctuation associated with MRO in amorphous materials, and provides information about the size, distribution, and internal structure of MRO. In this work, we developed an improved method for FEM using energy-filtered STEM nanodiffraction with highly coherent probes with size up to 11nm in a state-of-the-art Cs- corrected STEM. We also developed an effective way to eliminate the effect of sample thickness variation to the FEM data by using Z-contrast images as references. To study the detailed structure of MRO, we developed a hybrid reverse Monte Carlo (H-RMC) simulation which combines an empirical atomic potential and the FEM data. H-RMC generated model structures that match the experimental data at short and medium range. In addition, the subtle rotational symmetries in the FEM nanodiffraction patterns were analyzed by angular correlation function to reveal more details of the internal structure of MRO. Our experiments and simulations show that Zr-based BMG contains pseudo-planar, crystal-like MRO as well as icosahedral clusters in its nanoscale structure. We found that some icosahedral clusters may be connected, and that structural relaxation by annealing increases the population of icosahedral clusters.

Fourth class of convex equilateral polyhedron with polyhedral symmetry related to fullerenes and viruses

PubMed Central

Schein, Stan; Gayed, James Maurice

2014-01-01

The three known classes of convex polyhedron with equal edge lengths and polyhedral symmetry––tetrahedral, octahedral, and icosahedral––are the 5 Platonic polyhedra, the 13 Archimedean polyhedra––including the truncated icosahedron or soccer ball––and the 2 rhombic polyhedra reported by Johannes Kepler in 1611. (Some carbon fullerenes, inorganic cages, icosahedral viruses, geodesic structures, and protein complexes resemble these fundamental shapes.) Here we add a fourth class, “Goldberg polyhedra,” which are also convex and equilateral. We begin by decorating each of the triangular facets of a tetrahedron, an octahedron, or an icosahedron with the T vertices and connecting edges of a “Goldberg triangle.” We obtain the unique set of internal angles in each planar face of each polyhedron by solving a system of n equations and n variables, where the equations set the dihedral angle discrepancy about different types of edge to zero, and the variables are a subset of the internal angles in 6gons. Like the faces in Kepler’s rhombic polyhedra, the 6gon faces in Goldberg polyhedra are equilateral and planar but not equiangular. We show that there is just a single tetrahedral Goldberg polyhedron, a single octahedral one, and a systematic, countable infinity of icosahedral ones, one for each Goldberg triangle. Unlike carbon fullerenes and faceted viruses, the icosahedral Goldberg polyhedra are nearly spherical. The reasoning and techniques presented here will enable discovery of still more classes of convex equilateral polyhedra with polyhedral symmetry. PMID:24516137

Next generation of the self-consistent and environment-dependent Hamiltonian: Applications to various boron allotropes from zero- to three-dimensional structures

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

Tandy, P.; Yu, Ming; Leahy, C.

2015-03-28

An upgrade of the previous self-consistent and environment-dependent linear combination of atomic orbitals Hamiltonian (referred as SCED-LCAO) has been developed. This improved version of the semi-empirical SCED-LCAO Hamiltonian, in addition to the inclusion of self-consistent determination of charge redistribution, multi-center interactions, and modeling of electron-electron correlation, has taken into account the effect excited on the orbitals due to the atomic aggregation. This important upgrade has been subjected to a stringent test, the construction of the SCED-LCAO Hamiltonian for boron. It was shown that the Hamiltonian for boron has successfully characterized the electron deficiency of boron and captured the complex chemicalmore » bonding in various boron allotropes, including the planar and quasi-planar, the convex, the ring, the icosahedral, and the fullerene-like clusters, the two-dimensional monolayer sheets, and the bulk alpha boron, demonstrating its transferability, robustness, reliability, and predictive power. The molecular dynamics simulation scheme based on the Hamiltonian has been applied to explore the existence and the energetics of ∼230 compact boron clusters B{sub N} with N in the range from ∼100 to 768, including the random, the rhombohedral, and the spherical icosahedral structures. It was found that, energetically, clusters containing whole icosahedral B{sub 12} units are more stable for boron clusters of larger size (N > 200). The ease with which the simulations both at 0 K and finite temperatures were completed is a demonstration of the efficiency of the SCED-LCAO Hamiltonian.« less

Microstructure study of a severely plastically deformed Mg-Zn-Y alloy by application of low angle annular dark field diffraction contrast imaging.

PubMed

Basha, Dudekula Althaf; Rosalie, Julian M; Somekawa, Hidetoshi; Miyawaki, Takashi; Singh, Alok; Tsuchiya, Koichi

2016-01-01

Microstructural investigation of extremely strained samples, such as severely plastically deformed (SPD) materials, by using conventional transmission electron microscopy techniques is very challenging due to strong image contrast resulting from the high defect density. In this study, low angle annular dark field (LAADF) imaging mode of scanning transmission electron microscope (STEM) has been applied to study the microstructure of a Mg-3Zn-0.5Y (at%) alloy processed by high pressure torsion (HPT). LAADF imaging advantages for observation of twinning, grain fragmentation, nucleation of recrystallized grains and precipitation on second phase particles in the alloy processed by HPT are highlighted. By using STEM-LAADF imaging with a range of incident angles, various microstructural features have been imaged, such as nanoscale subgrain structure and recrystallization nucleation even from the thicker region of the highly strained matrix. It is shown that nucleation of recrystallized grains starts at a strain level of revolution [Formula: see text] (earlier than detected by conventional bright field imaging). Occurrence of recrystallization of grains by nucleating heterogeneously on quasicrystalline particles is also confirmed. Minimizing all strain effects by LAADF imaging facilitated grain size measurement of [Formula: see text] nm in fully recrystallized HPT specimen after [Formula: see text].

The Perfect Glass Paradigm: Disordered Hyperuniform Glasses Down to Absolute Zero

NASA Astrophysics Data System (ADS)

Zhang, G.; Stillinger, F. H.; Torquato, S.

2016-11-01

Rapid cooling of liquids below a certain temperature range can result in a transition to glassy states. The traditional understanding of glasses includes their thermodynamic metastability with respect to crystals. However, here we present specific examples of interactions that eliminate the possibilities of crystalline and quasicrystalline phases, while creating mechanically stable amorphous glasses down to absolute zero temperature. We show that this can be accomplished by introducing a new ideal state of matter called a “perfect glass”. A perfect glass represents a soft-interaction analog of the maximally random jammed (MRJ) packings of hard particles. These latter states can be regarded as the epitome of a glass since they are out of equilibrium, maximally disordered, hyperuniform, mechanically rigid with infinite bulk and shear moduli, and can never crystallize due to configuration-space trapping. Our model perfect glass utilizes two-, three-, and four-body soft interactions while simultaneously retaining the salient attributes of the MRJ state. These models constitute a theoretical proof of concept for perfect glasses and broaden our fundamental understanding of glass physics. A novel feature of equilibrium systems of identical particles interacting with the perfect-glass potential at positive temperature is that they have a non-relativistic speed of sound that is infinite.

The Perfect Glass Paradigm: Disordered Hyperuniform Glasses Down to Absolute Zero.

PubMed

Zhang, G; Stillinger, F H; Torquato, S

2016-11-28

Rapid cooling of liquids below a certain temperature range can result in a transition to glassy states. The traditional understanding of glasses includes their thermodynamic metastability with respect to crystals. However, here we present specific examples of interactions that eliminate the possibilities of crystalline and quasicrystalline phases, while creating mechanically stable amorphous glasses down to absolute zero temperature. We show that this can be accomplished by introducing a new ideal state of matter called a "perfect glass". A perfect glass represents a soft-interaction analog of the maximally random jammed (MRJ) packings of hard particles. These latter states can be regarded as the epitome of a glass since they are out of equilibrium, maximally disordered, hyperuniform, mechanically rigid with infinite bulk and shear moduli, and can never crystallize due to configuration-space trapping. Our model perfect glass utilizes two-, three-, and four-body soft interactions while simultaneously retaining the salient attributes of the MRJ state. These models constitute a theoretical proof of concept for perfect glasses and broaden our fundamental understanding of glass physics. A novel feature of equilibrium systems of identical particles interacting with the perfect-glass potential at positive temperature is that they have a non-relativistic speed of sound that is infinite.

The Perfect Glass Paradigm: Disordered Hyperuniform Glasses Down to Absolute Zero

PubMed Central

Zhang, G.; Stillinger, F. H.; Torquato, S.

2016-01-01

Rapid cooling of liquids below a certain temperature range can result in a transition to glassy states. The traditional understanding of glasses includes their thermodynamic metastability with respect to crystals. However, here we present specific examples of interactions that eliminate the possibilities of crystalline and quasicrystalline phases, while creating mechanically stable amorphous glasses down to absolute zero temperature. We show that this can be accomplished by introducing a new ideal state of matter called a “perfect glass”. A perfect glass represents a soft-interaction analog of the maximally random jammed (MRJ) packings of hard particles. These latter states can be regarded as the epitome of a glass since they are out of equilibrium, maximally disordered, hyperuniform, mechanically rigid with infinite bulk and shear moduli, and can never crystallize due to configuration-space trapping. Our model perfect glass utilizes two-, three-, and four-body soft interactions while simultaneously retaining the salient attributes of the MRJ state. These models constitute a theoretical proof of concept for perfect glasses and broaden our fundamental understanding of glass physics. A novel feature of equilibrium systems of identical particles interacting with the perfect-glass potential at positive temperature is that they have a non-relativistic speed of sound that is infinite. PMID:27892452

Liquid structure and temperature invariance of sound velocity in supercooled Bi melt

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

Emuna, M.; Mayo, M.; Makov, G.

2014-03-07

Structural rearrangement of liquid Bi in the vicinity of the melting point has been proposed due to the unique temperature invariant sound velocity observed above the melting temperature, the low symmetry of Bi in the solid phase and the necessity of overheating to achieve supercooling. The existence of this structural rearrangement is examined by measurements on supercooled Bi. The sound velocity of liquid Bi was measured into the supercooled region to high accuracy and it was found to be invariant over a temperature range of ∼60°, from 35° above the melting point to ∼25° into the supercooled region. The structuralmore » origin of this phenomenon was explored by neutron diffraction structural measurements in the supercooled temperature range. These measurements indicate a continuous modification of the short range order in the melt. The structure of the liquid is analyzed within a quasi-crystalline model and is found to evolve continuously, similar to other known liquid pnictide systems. The results are discussed in the context of two competing hypotheses proposed to explain properties of liquid Bi near the melting: (i) liquid bismuth undergoes a structural rearrangement slightly above melting and (ii) liquid Bi exhibits a broad maximum in the sound velocity located incidentally at the melting temperature.« less

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.

Comparison with CLPX II airborne data using DMRT model

USGS Publications Warehouse

Xu, X.; Liang, D.; Andreadis, K.M.; Tsang, L.; Josberger, E.G.

2009-01-01

In this paper, we considered a physical-based model which use numerical solution of Maxwell Equations in three-dimensional simulations and apply into Dense Media Radiative Theory (DMRT). The model is validated in two specific dataset from the second Cold Land Processes Experiment (CLPX II) at Alaska and Colorado. The data were all obtain by the Ku-band (13.95GHz) observations using airborne imaging polarimetric scatterometer (POLSCAT). Snow is a densely packed media. To take into account the collective scattering and incoherent scattering, analytical Quasi-Crystalline Approximation (QCA) and Numerical Maxwell Equation Method of 3-D simulation (NMM3D) are used to calculate the extinction coefficient and phase matrix. DMRT equations were solved by iterative solution up to 2nd order for the case of small optical thickness and full multiple scattering solution by decomposing the diffuse intensities into Fourier series was used when optical thickness exceed unity. It was shown that the model predictions agree with the field experiment not only co-polarization but also cross-polarization. For Alaska region, the input snow structure data was obtain by the in situ ground observations, while for Colorado region, we combined the VIC model to get the snow profile. ??2009 IEEE.

Reading Treasures. Phase I and Phase II.

ERIC Educational Resources Information Center

Kansas State Dept. of Education, Topeka.

Based on the premise that a school reading program must focus on the learner and the text, this guidebook is designed to serve as a resource for school districts, groups, or individuals involved in planning, implementing, and evaluating reading programs. The guidebook is divided into two phases. Phase 1, "Guidelines for Developing and…

Optimized phase gradient measurements and phase-amplitude interplay in optical coherence elastography

NASA Astrophysics Data System (ADS)

Zaitsev, Vladimir Y.; Matveyev, Alexander L.; Matveev, Lev A.; Gelikonov, Grigory V.; Sovetsky, Aleksandr A.; Vitkin, Alex

2016-11-01

In compressional optical coherence elastography, phase-variation gradients are used for estimating quasistatic strains created in tissue. Using reference and deformed optical coherence tomography (OCT) scans, one typically compares phases from pixels with the same coordinates in both scans. Usually, this limits the allowable strains to fairly small values < to 10-3, with the caveat that such weak phase gradients may become corrupted by stronger measurement noises. Here, we extend the OCT phase-resolved elastographic methodology by (1) showing that an order of magnitude greater strains can significantly increase the accuracy of derived phase-gradient differences, while also avoiding error-phone phase-unwrapping procedures and minimizing the influence of decorrelation noise caused by suprapixel displacements, (2) discussing the appearance of artifactual stiff inclusions in resultant OCT elastograms in the vicinity of bright scatterers due to the amplitude-phase interplay in phase-variation measurements, and (3) deriving/evaluating methods of phase-gradient estimation that can outperform conventionally used least-square gradient fitting. We present analytical arguments, numerical simulations, and experimental examples to demonstrate the advantages of the proposed optimized phase-variation methodology.

Linear chirp phase perturbing approach for finding binary phased codes

NASA Astrophysics Data System (ADS)

Li, Bing C.

2017-05-01

Binary phased codes have many applications in communication and radar systems. These applications require binary phased codes to have low sidelobes in order to reduce interferences and false detection. Barker codes are the ones that satisfy these requirements and they have lowest maximum sidelobes. However, Barker codes have very limited code lengths (equal or less than 13) while many applications including low probability of intercept radar, and spread spectrum communication, require much higher code lengths. The conventional techniques of finding binary phased codes in literatures include exhaust search, neural network, and evolutionary methods, and they all require very expensive computation for large code lengths. Therefore these techniques are limited to find binary phased codes with small code lengths (less than 100). In this paper, by analyzing Barker code, linear chirp, and P3 phases, we propose a new approach to find binary codes. Experiments show that the proposed method is able to find long low sidelobe binary phased codes (code length >500) with reasonable computational cost.

Joint estimation of phase and phase diffusion for quantum metrology.

PubMed

Vidrighin, Mihai D; Donati, Gaia; Genoni, Marco G; Jin, Xian-Min; Kolthammer, W Steven; Kim, M S; Datta, Animesh; Barbieri, Marco; Walmsley, Ian A

2014-04-14

Phase estimation, at the heart of many quantum metrology and communication schemes, can be strongly affected by noise, whose amplitude may not be known, or might be subject to drift. Here we investigate the joint estimation of a phase shift and the amplitude of phase diffusion at the quantum limit. For several relevant instances, this multiparameter estimation problem can be effectively reshaped as a two-dimensional Hilbert space model, encompassing the description of an interferometer phase probed with relevant quantum states--split single-photons, coherent states or N00N states. For these cases, we obtain a trade-off bound on the statistical variances for the joint estimation of phase and phase diffusion, as well as optimum measurement schemes. We use this bound to quantify the effectiveness of an actual experimental set-up for joint parameter estimation for polarimetry. We conclude by discussing the form of the trade-off relations for more general states and measurements.

Microstructural characteristics of σ phase and P phase in Ru-containing single crystal superalloys

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

Huo, Jiajie, E-mail: jiajiehuo0618@163.com

Microstructural instability caused by topologically close-packed (TCP) phase precipitation restricts the useful compositional range of advanced Ni-base single crystal superalloys in industrial applications. Limited systematic investigations of TCP formers (Cr and Mo) additions on microstructural evolution of both the σ phase and the P phase in Ru-containing single crystal superalloys have been reported. In this study, the microstructural characteristics of σ phase and P phase were investigated in three Ru-containing superalloys with different levels of Cr and Mo additions at 950 °C and 1100 °C by using phase extraction, X-ray diffraction, scanning electron microscope and high resolution transmission electron microscopy.more » The experimental results indicated that the high level additions of Cr and Mo promoted the formation of σ phase and P phase, respectively. The amount of σ phase was much higher than that of P phase after long term exposure at 950 °C and 1100 °C. The sheet-like σ phase existed in the alloy with higher Cr addition after thermal exposure at 950 °C and 1100 °C for 1000 h, while the needle-like P phase precipitated in high Mo content alloy after thermal exposure at 1100 °C for 1000 h and the intergrowth of σ phase and P phase was observed after thermal exposure at 950 °C for 500 h. Both the σ phase and P phase were enriched in Re, W, Cr and Mo, but the σ phase contained more Re and Cr while the P phase contained more Mo and Ni, and Ru was found in both phases. The nucleation of σ phase was much easier than P phase due to the more ledge steps in the interfacial structure between σ phase and matrix, as well as the higher partitioning ratios of Re, Cr and Mo. This study is helpful to understand the microstructural evolution of σ phase and P phase, and to optimize the alloy design in Ru-containing superalloys. - Highlights: •Microstructures of σ phase and P phase were characterized in detail. •Cr and Mo influenced the

Profilometry of three-dimensional discontinuous solids by combining two-steps temporal phase unwrapping, co-phased profilometry and phase-shifting interferometry

NASA Astrophysics Data System (ADS)

Servin, Manuel; Padilla, Moises; Garnica, Guillermo; Gonzalez, Adonai

2016-12-01

In this work we review and combine two techniques that have been recently published for three-dimensional (3D) fringe projection profilometry and phase unwrapping, namely: co-phased profilometry and 2-steps temporal phase-unwrapping. By combining these two methods we get a more accurate, higher signal-to-noise 3D profilometer for discontinuous industrial objects. In single-camera single-projector (standard) profilometry, the camera and the projector must form an angle between them. The phase-sensitivity of the profilometer depends on this angle, so it cannot be avoided. This angle produces regions with self-occluding shadows and glare from the solid as viewed from the camera's perspective, making impossible the demodulation of the fringe-pattern there. In other words, the phase data is undefined at those shadow regions. As published recently, this limitation can be solved by using several co-phased fringe-projectors and a single camera. These co-phased projectors are positioned at different directions towards the object, and as a consequence most shadows are compensated. In addition to this, most industrial objects are highly discontinuous, which precludes the use of spatial phase-unwrappers. One way to avoid spatial unwrapping is to decrease the phase-sensitivity to a point where the demodulated phase is bounded to one lambda, so the need for phase-unwrapping disappears. By doing this, however, the recovered non-wrapped phase contains too much harmonic distortion and noise. Using our recently proposed two-step temporal phase-unwrapping technique, the high-sensitivity phase is unwrapped using the low-frequency one as initial gross estimation. This two-step unwrapping technique solves the 3D object discontinuities while keeping the accuracy of the high-frequency profilometry data. In scientific research, new art are derived as logical and consistent result of previous efforts in the same direction. Here we present a new 3D-profilometer combining these two recently

An Interactive Tool for Discrete Phase Analysis in Two-Phase Flows

NASA Technical Reports Server (NTRS)

Dejong, Frederik J.; Thoren, Stephen J.

1993-01-01

Under a NASA MSFC SBIR Phase 1 effort an interactive software package has been developed for the analysis of discrete (particulate) phase dynamics in two-phase flows in which the discrete phase does not significantly affect the continuous phase. This package contains a Graphical User Interface (based on the X Window system and the Motif tool kit) coupled to a particle tracing program, which allows the user to interactively set up and run a case for which a continuous phase grid and flow field are available. The software has been applied to a solid rocket motor problem, to demonstrate its ease of use and its suitability for problems of engineering interest, and has been delivered to NASA Marshall Space Flight Center.

Phase behavior of thermotropic chiral liquid crystal with wide blue phase

NASA Astrophysics Data System (ADS)

Jessy, P. J.; Radha, S.; Nainesh, Patel

2018-04-01

We modified the phase transitions of a thermotropic chiral nematic liquid crystal system with various concentrations of chiral component and investigated their phase behavior and optical properties. The study shows that coupling between chirality and nematicity of liquid crystals lead to changes in phase morphology with extended temperature window of blue phase including human body temperatures and enhanced thermochromism performance. The temperature dependent refractive index analysis in the visible spectral region reveals that the optical modulation due to pitch variation of helical pattern results in the creation of new mesophases and more pronounced chirality in mixtures leading to blue phase which can be controlled by the chiral concentration. The appearance of extended blue phases with primary colors will pave way for the development of new photonic devices.

Phase 0 and phase III transport in various organs: combined concept of phases in xenobiotic transport and metabolism.

PubMed

Döring, Barbara; Petzinger, Ernst

2014-08-01

The historical phasing concept of drug metabolism and elimination was introduced to comprise the two phases of metabolism: phase I metabolism for oxidations, reductions and hydrolyses, and phase II metabolism for synthesis. With this concept, biological membrane barriers obstructing the accessibility of metabolism sites in the cells for drugs were not considered. The concept of two phases was extended to a concept of four phases when drug transporters were detected that guided drugs and drug metabolites in and out of the cells. In particular, water soluble or charged drugs are virtually not able to overcome the phospholipid membrane barrier. Drug transporters belong to two main clusters of transporter families: the solute carrier (SLC) families and the ATP binding cassette (ABC) carriers. The ABC transporters comprise seven families with about 20 carriers involved in drug transport. All of them operate as pumps at the expense of ATP splitting. Embedded in the former phase concept, the term "phase III" was introduced by Ishikawa in 1992 for drug export by ABC efflux pumps. SLC comprise 52 families, from which many carriers are drug uptake transporters. Later on, this uptake process was referred to as the "phase 0 transport" of drugs. Transporters for xenobiotics in man and animal are most expressed in liver, but they are also present in extra-hepatic tissues such as in the kidney, the adrenal gland and lung. This review deals with the function of drug carriers in various organs and their impact on drug metabolism and elimination.

Achieving a strongly negative scattering asymmetry factor in random media composed of dual-dipolar particles

NASA Astrophysics Data System (ADS)

Wang, B. X.; Zhao, C. Y.

2018-02-01

Understanding radiative transfer in random media like micro- or nanoporous and particulate materials, allows people to manipulate the scattering and absorption of radiation, as well as opens new possibilities in applications such as imaging through turbid media, photovoltaics, and radiative cooling. A strong-backscattering phase function, i.e., a negative scattering asymmetry parameter g , is of great interest, which can possibly lead to unusual radiative transport phenomena, for instance, Anderson localization of light. Here we demonstrate that by utilizing the structural correlations and second Kerker condition for a disordered medium composed of randomly distributed silicon nanoparticles, a strongly negative scattering asymmetry factor (g ˜-0.5 ) for multiple light scattering can be realized in the near infrared. Based on the multipole expansion of Foldy-Lax equations and quasicrystalline approximation (QCA), we have rigorously derived analytical expressions for the effective propagation constant and scattering phase function for a random system containing spherical particles, by taking the effect of structural correlations into account. We show that as the concentration of scattering particles rises, the backscattering is also enhanced. Moreover, in this circumstance, the transport mean free path is largely reduced and even becomes smaller than that predicted by independent scattering approximation. We further explore the dependent scattering effects, including the modification of electric and magnetic dipole excitations and far-field interference effect, both induced and influenced by the structural correlations, for volume fraction of particles up to fv˜0.25 . Our results have profound implications in harnessing micro- or nanoscale radiative transfer through random media.

Application of ANFIS to Phase Estimation for Multiple Phase Shift Keying

NASA Technical Reports Server (NTRS)

Drake, Jeffrey T.; Prasad, Nadipuram R.

2000-01-01

The paper discusses a novel use of Adaptive Neuro-Fuzzy Inference Systems (ANFIS) for estimating phase in Multiple Phase Shift Keying (M-PSK) modulation. A brief overview of communications phase estimation is provided. The modeling of both general open-loop, and closed-loop phase estimation schemes for M-PSK symbols with unknown structure are discussed. Preliminary performance results from simulation of the above schemes are presented.

Phase-shifting coronagraph

NASA Astrophysics Data System (ADS)

Hénault, François; Carlotti, Alexis; Vérinaud, Christophe

2017-09-01

With the recent commissioning of ground instruments such as SPHERE or GPI and future space observatories like WFIRST-AFTA, coronagraphy should probably become the most efficient tool for identifying and characterizing extrasolar planets in the forthcoming years. Coronagraphic instruments such as Phase mask coronagraphs (PMC) are usually based on a phase mask or plate located at the telescope focal plane, spreading the starlight outside the diameter of a Lyot stop that blocks it. In this communication is investigated the capability of a PMC to act as a phase-shifting wavefront sensor for better control of the achieved star extinction ratio in presence of the coronagraphic mask. We discuss the two main implementations of the phase-shifting process, either introducing phase-shifts in a pupil plane and sensing intensity variations in an image plane, or reciprocally. Conceptual optical designs are described in both cases. Numerical simulations allow for better understanding of the performance and limitations of both options, and optimizing their fundamental parameters. In particular, they demonstrate that the phase-shifting process is a bit more efficient when implemented into an image plane, and is compatible with the most popular phase masks currently employed, i.e. fourquadrants and vortex phase masks.

Experimental study of phase separation in dividing two phase flow

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

Qian Yong; Yang Zhilin; Xu Jijun

1996-12-31

Experimental study of phase separation of air-water two phase bubbly, slug flow in the horizontal T-junction is carried out. The influences of the inlet mass quality X1, mass extraction rate G3/G1, and fraction of extracted liquid QL3/QL1 on phase separation characteristics are analyzed. For the first time, the authors have found and defined pulsating run effect by the visual experiments, which show that under certain conditions, the down stream flow of the T-junction has strangely affected the phase redistribution of the junction, and firstly point out that the downstream geometric condition is very important to the study of phase separationmore » phenomenon of two-phase flow in a T-junction. This kind of phenomenon has many applications in the field of energy, power, petroleum and chemical industries, such as the loss of coolant accident (LOCA) caused by a small break in a horizontal coolant pipe in nuclear reactor, and the flip-flop effect in the natural gas transportation pipeline system, etc.« less

Entanglement-Enhanced Phase Estimation without Prior Phase Information

NASA Astrophysics Data System (ADS)

Colangelo, G.; Martin Ciurana, F.; Puentes, G.; Mitchell, M. W.; Sewell, R. J.

2017-06-01

We study the generation of planar quantum squeezed (PQS) states by quantum nondemolition (QND) measurement of an ensemble of Rb 87 atoms with a Poisson distributed atom number. Precise calibration of the QND measurement allows us to infer the conditional covariance matrix describing the Fy and Fz components of the PQS states, revealing the dual squeezing characteristic of PQS states. PQS states have been proposed for single-shot phase estimation without prior knowledge of the likely values of the phase. We show that for an arbitrary phase, the generated PQS states can give a metrological advantage of at least 3.1 dB relative to classical states. The PQS state also beats, for most phase angles, single-component-squeezed states generated by QND measurement with the same resources and atom number statistics. Using spin squeezing inequalities, we show that spin-spin entanglement is responsible for the metrological advantage.

Phase 2 and phase 3 presentation grids

Treesearch

Joseph McCollum; Jamie K. Cochran

2009-01-01

Many forest inventory and analysis (FIA) analysts, other researchers, and FIA Spatial Data Services personnel have expressed their desire to use the FIA Phase 2 (P2) and Phase 3 (P3), and Forest Health Monitoring (FHM) grids in presentations and other analytical reports. Such uses have been prohibited due to the necessity of keeping the actual P2, P3, and FHM grids...

Thermally induced phase transformation in multi-phase iron oxide nanoparticles on vacuum annealing

NASA Astrophysics Data System (ADS)

Anupama, A. V.; Keune, W.; Sahoo, B.

2017-10-01

The evolution of magnetic phases in multi-phase iron oxide nanoparticles, synthesized via the transferred arc plasma induced gas phase condensation method, was investigated by X-ray diffraction, vibrating sample magnetometry and 57Fe Mössbauer spectroscopy. The particles are proposed to be consisting of three different iron oxide phases: α-Fe2O3, γ-Fe2O3 and Fe3O4. These nanoparticles were exposed to high temperature (∼935 K) under vacuum (10-3 mbar He pressure), and the thermally induced phase transformations were investigated. The Rietveld refinement of the X-ray diffraction data corroborates the least-squares fitting of the transmission Mössbauer spectra in confirming the presence of Fe3O4, γ-Fe2O3 and α-Fe2O3 phases before the thermal treatment, while only Fe3O4 and α-Fe2O3 phases exist after thermal treatment. On thermal annealing in vacuum, conversion from γ-Fe2O3 to Fe3O4 and α-Fe2O3 was observed. Interestingly, we have observed a phase transformation occurring in the temperature range ∼498 K-538 K, which is strikingly lower than the phase transformation temperature of γ-Fe2O3 to α-Fe2O3 (573-623 K) in air. Combining the results of Rietveld refinement of X-ray diffraction patterns and Mössbauer spectroscopy, we have attributed this phase transformation to the phase conversion of a metastable "defected and strained" d-Fe3O4 phase, present in the as-prepared sample, to the α-Fe2O3 phase. Stabilization of the phases by controlling the phase transformations during the use of different iron-oxide nanoparticles is the key factor to select them for a particular application. Our investigation provides insight into the effect of temperature and chemical nature of the environment, which are the primary factors governing the phase stability, suitability and longevity of the iron oxide nanomaterials prepared by the gas-phase condensation method for various applications.

Vertical Wave Coupling associated with Stratospheric Sudden Warming Events analyzed in an Isentropic-Coordinate NWP Model.

NASA Astrophysics Data System (ADS)

Bleck, R.; Sun, S.; Benjamin, S.; Brown, J. M.

2017-12-01

Two- to four-week predictions of stratospheric sudden warming events during the winter seasons of 1999-2014, carried out with a high-resolution icosahedral NWP model using potential temperature as vertical coordinate, are inspected for commonalities in the evolution of both minor and major warmings. Emphasis is on the evolution of the potential vorticity field at different levels in the stratosphere, as well as on the sign and magnitude of the vertical component of the Eliassen-Palm flux vector suggestive of wave forcing in either direction. Material is presented shedding light on the skill of the model (FIM, developed at NOAA/ESRL) in predicting stratospheric warmings generally 2 weeks in advance. With an icosahedral grid ideally suited for studying polar processes, and a vertical coordinate faithfully reproducing details in the evolution of the potential vorticity and EP flux vector fields, FIM is found to be a good tool for investigating the SSW mechanism.

Mechanisms of Size Control and Polymorphism in Viral Capsid Assembly

PubMed Central

Elrad, Oren M.; Hagan, Michael F.

2009-01-01

We simulate the assembly dynamics of icosahedral capsids from subunits that interconvert between different conformations (or quasi-equivalent states). The simulations identify mechanisms by which subunits form empty capsids with only one morphology, but adaptively assemble into different icosahedral morphologies around nanoparticle cargoes with varying sizes, as seen in recent experiments with brome mosaic virus (BMV) capsid proteins. Adaptive cargo encapsidation requires moderate cargo-subunit interaction strengths; stronger interactions frustrate assembly by stabilizing intermediates with incommensurate curvature. We compare simulation results to experiments with cowpea chlorotic mottle virus empty capsids and BMV capsids assembled on functionalized nanoparticles, and suggest new cargo encapsidation experiments. Finally, we find that both empty and templated capsids maintain the precise spatial ordering of subunit conformations seen in the crystal structure even if interactions that preserve this arrangement are favored by as little as the thermal energy, consistent with experimental observations that different subunit conformations are highly similar. PMID:18950240

Chain-like structure elements in Ni40Ta60 metallic glasses observed by scanning tunneling microscopy

PubMed Central

Pawlak, Rémy; Marot, Laurent; Sadeghi, Ali; Kawai, Shigeki; Glatzel, Thilo; Reimann, Peter; Goedecker, Stefan; Güntherodt, Hans-Joachim; Meyer, Ernst

2015-01-01

The structure of metallic glasses is a long-standing question because the lack of long-range order makes diffraction based techniques difficult to be applied. Here, we used scanning tunneling microscopy with large tunneling resistance of 6 GΩ at low temperature in order to minimize forces between probe and sample and reduce thermal fluctuations of metastable structures. Under these extremely gentle conditions, atomic structures of Ni40Ta60 metallic glasses are revealed with unprecedented lateral resolution. In agreement with previous models and experiments, icosahedral-like clusters are observed. The clusters show a high degree of mobility, which explains the need of low temperatures for stable imaging. In addition to icosahedrons, chain-like structures are resolved and comparative density functional theory (DFT) calculations confirm that these structures are meta-stable. The co-existence of icosahedral and chain-like structures might be an key ingredient for the understanding of the mechanical properties of metallic glasses. PMID:26268430

All-atom molecular dynamics of the HBV capsid reveals insights into biological function and cryo-EM resolution limits

PubMed Central

Perilla, Juan R; Schlicksup, Christopher John; Venkatakrishnan, Balasubramanian; Zlotnick, Adam; Schulten, Klaus

2018-01-01

The hepatitis B virus capsid represents a promising therapeutic target. Experiments suggest the capsid must be flexible to function; however, capsid structure and dynamics have not been thoroughly characterized in the absence of icosahedral symmetry constraints. Here, all-atom molecular dynamics simulations are leveraged to investigate the capsid without symmetry bias, enabling study of capsid flexibility and its implications for biological function and cryo-EM resolution limits. Simulation results confirm flexibility and reveal a propensity for asymmetric distortion. The capsid’s influence on ionic species suggests a mechanism for modulating the display of cellular signals and implicates the capsid’s triangular pores as the location of signal exposure. A theoretical image reconstruction performed using simulated conformations indicates how capsid flexibility may limit the resolution of cryo-EM. Overall, the present work provides functional insight beyond what is accessible to experimental methods and raises important considerations regarding asymmetry in structural studies of icosahedral virus capsids. PMID:29708495

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

Structural properties of medium-range order in CuNiZr alloy

NASA Astrophysics Data System (ADS)

Gao, Tinghong; Hu, Xuechen; Xie, Quan; Li, Yidan; Ren, Lei

2017-10-01

The evolution characteristics of icosahedral clusters during the rapid solidification of Cu50Ni10Zr40 alloy at cooling rate of 1011 K s-1 are investigated based on molecular dynamics simulations. The structural properties of the short-range order and medium-range order of Cu50Ni10Zr40 alloy are analyzed by several structural characterization methods. The results reveal that the icosahedral clusters are the dominant short-range order structure, and that they assemble themselves into medium-range order by interpenetrating connections. The different morphologies of medium-range order are found in the system and include chain, triangle, tetrahedral, and their combination structures. The tetrahedral morphologies of medium-range order have excellent structural stability with decreasing temperature. The Zr atoms are favorable to form longer chains, while the Cu atoms are favorable to form shorter chains in the system. Those chains interlocked with each other to improve the structural stability.

Digital quadrature phase detection

DOEpatents

Smith, James A.; Johnson, John A.

1992-01-01

A system for detecting the phase of a frequency of phase modulated signal that includes digital quadrature sampling of the frequency or phase modulated signal at two times that are one quarter of a cycle of a reference signal apart, determination of the arctangent of the ratio of a first sampling of the frequency or phase modulated signal to the second sampling of the frequency or phase modulated signal, and a determination of quadrant in which the phase determination is increased by 2.pi. when the quadrant changes from the first quadrant to the fourth quadrant and decreased by 2.pi. when the quadrant changes from the fourth quadrant to the first quadrant whereby the absolute phase of the frequency or phase modulated signal can be determined using an arbitrary reference convention.

Digital quadrature phase detection

DOEpatents

Smith, J.A.; Johnson, J.A.

1992-05-26

A system for detecting the phase of a frequency or phase modulated signal that includes digital quadrature sampling of the frequency or phase modulated signal at two times that are one quarter of a cycle of a reference signal apart, determination of the arctangent of the ratio of a first sampling of the frequency or phase modulated signal to the second sampling of the frequency or phase modulated signal, and a determination of quadrant in which the phase determination is increased by 2[pi] when the quadrant changes from the first quadrant to the fourth quadrant and decreased by 2[pi] when the quadrant changes from the fourth quadrant to the first quadrant whereby the absolute phase of the frequency or phase modulated signal can be determined using an arbitrary reference convention. 6 figs.

interThermalPhaseChangeFoam-A framework for two-phase flow simulations with thermally driven phase change

NASA Astrophysics Data System (ADS)

Nabil, Mahdi; Rattner, Alexander S.

The volume-of-fluid (VOF) approach is a mature technique for simulating two-phase flows. However, VOF simulation of phase-change heat transfer is still in its infancy. Multiple closure formulations have been proposed in the literature, each suited to different applications. While these have enabled significant research advances, few implementations are publicly available, actively maintained, or inter-operable. Here, a VOF solver is presented (interThermalPhaseChangeFoam), which incorporates an extensible framework for phase-change heat transfer modeling, enabling simulation of diverse phenomena in a single environment. The solver employs object oriented OpenFOAM library features, including Run-Time-Type-Identification to enable rapid implementation and run-time selection of phase change and surface tension force models. The solver is packaged with multiple phase change and surface tension closure models, adapted and refined from earlier studies. This code has previously been applied to study wavy film condensation, Taylor flow evaporation, nucleate boiling, and dropwise condensation. Tutorial cases are provided for simulation of horizontal film condensation, smooth and wavy falling film condensation, nucleate boiling, and bubble condensation. Validation and grid sensitivity studies, interfacial transport models, effects of spurious currents from surface tension models, effects of artificial heat transfer due to numerical factors, and parallel scaling performance are described in detail in the Supplemental Material (see Appendix A). By incorporating the framework and demonstration cases into a single environment, users can rapidly apply the solver to study phase-change processes of interest.

The Berry phase and the phase of the determinant

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

Braverman, Maxim

2014-04-15

We show that under very general assumptions the adiabatic approximation of the phase of the zeta-regularized determinant of the imaginary-time Schrödinger operator with periodic Hamiltonian is equal to the Berry phase.

Two-phase/two-phase heat exchanger analysis

NASA Technical Reports Server (NTRS)

Kim, Rhyn H.

1992-01-01

A capillary pumped loop (CPL) system with a condenser linked to a double two-phase heat exchanger is analyzed numerically to simulate the performance of the system from different starting conditions to a steady state condition based on a simplified model. Results of the investigation are compared with those of similar apparatus available in the Space Station applications of the CPL system with a double two-phase heat exchanger.

PhasePApy: A robust pure Python package for automatic identification of seismic phases

USGS Publications Warehouse

Chen, Chen; Holland, Austin

2016-01-01

We developed a Python phase identification package: the PhasePApy for earthquake data processing and near‐real‐time monitoring. The package takes advantage of the growing number of Python libraries including Obspy. All the data formats supported by Obspy can be supported within the PhasePApy. The PhasePApy has two subpackages: the PhasePicker and the Associator, aiming to identify phase arrival onsets and associate them to phase types, respectively. The PhasePicker and the Associator can work jointly or separately. Three autopickers are implemented in the PhasePicker subpackage: the frequency‐band picker, the Akaike information criteria function derivative picker, and the kurtosis picker. All three autopickers identify picks with the same processing methods but different characteristic functions. The PhasePicker triggers the pick with a dynamic threshold and can declare a pick with false‐pick filtering. Also, the PhasePicker identifies a pick polarity and uncertainty for further seismological analysis, such as focal mechanism determination. Two associators are included in the Associator subpackage: the 1D Associator and 3D Associator, which assign phase types to picks that can best fit potential earthquakes by minimizing root mean square (rms) residuals of the misfits in distance and time, respectively. The Associator processes multiple picks from all channels at a seismic station and aggregates them to increase computational efficiencies. Both associators use travel‐time look up tables to determine the best estimation of the earthquake location and evaluate the phase type for picks. The PhasePApy package has been used extensively for local and regional earthquakes and can work for active source experiments as well.

Tau-independent Phase Analysis: A Novel Method for Accurately Determining Phase Shifts.

PubMed

Tackenberg, Michael C; Jones, Jeff R; Page, Terry L; Hughey, Jacob J

2018-06-01

Estimations of period and phase are essential in circadian biology. While many techniques exist for estimating period, comparatively few methods are available for estimating phase. Current approaches to analyzing phase often vary between studies and are sensitive to coincident changes in period and the stage of the circadian cycle at which the stimulus occurs. Here we propose a new technique, tau-independent phase analysis (TIPA), for quantifying phase shifts in multiple types of circadian time-course data. Through comprehensive simulations, we show that TIPA is both more accurate and more precise than the standard actogram approach. TIPA is computationally simple and therefore will enable accurate and reproducible quantification of phase shifts across multiple subfields of chronobiology.

Dynamical phase transitions in generalized Kuramoto model with distributed Sakaguchi phase

NASA Astrophysics Data System (ADS)

Banerjee, Amitava

2017-11-01

In this numerical work, we have systematically studied the dynamical phase transitions in the Kuramoto-Sakaguchi model of synchronizing phase oscillators controlled by disorder in the Sakaguchi phases. We derive the numerical steady state phase diagrams for quenched and annealed kinds of disorder in the Sakaguchi parameters, using the conventional order parameter and other such statistical quantities as strength of incoherence and discontinuity measures. We have also considered the correlation profile of the local order parameter fluctuations in the various phases identified. The phase diagrams for quenched disorder are qualitatively much different from those in the global coupling regime. The order of various transitions is confirmed by a study of the distribution of the order parameter and its fourth order Binder’s cumulant across the transition for an ensemble of initial distribution of phases. For the annealed type of disorder, in contrast to the case with quenched disorder, the system is almost insensitive to the amount of disorder. We also elucidate the role of chimeralike states in the synchronizing transition of the system, and study the effect of disorder on these states. Finally, we seek justification of our results from simulations guided by the Ott-Antonsen ansatz.

Quantized phase coding and connected region labeling for absolute phase retrieval.

PubMed

Chen, Xiangcheng; Wang, Yuwei; Wang, Yajun; Ma, Mengchao; Zeng, Chunnian

2016-12-12

This paper proposes an absolute phase retrieval method for complex object measurement based on quantized phase-coding and connected region labeling. A specific code sequence is embedded into quantized phase of three coded fringes. Connected regions of different codes are labeled and assigned with 3-digit-codes combining the current period and its neighbors. Wrapped phase, more than 36 periods, can be restored with reference to the code sequence. Experimental results verify the capability of the proposed method to measure multiple isolated objects.

Subwavelength nonlinear phase control and anomalous phase matching in plasmonic metasurfaces

NASA Astrophysics Data System (ADS)

Almeida, Euclides; Shalem, Guy; Prior, Yehiam

2016-01-01

Metasurfaces, and in particular those containing plasmonic-based metallic elements, constitute an attractive set of materials with a potential for replacing standard bulky optical elements. In recent years, increasing attention has been focused on their nonlinear optical properties, particularly in the context of second and third harmonic generation and beam steering by phase gratings. Here, we harness the full phase control enabled by subwavelength plasmonic elements to demonstrate a unique metasurface phase matching that is required for efficient nonlinear processes. We discuss the difference between scattering by a grating and by subwavelength phase-gradient elements. We show that for such interfaces an anomalous phase-matching condition prevails, which is the nonlinear analogue of the generalized Snell's law. The subwavelength phase control of optical nonlinearities paves the way for the design of ultrathin, flat nonlinear optical elements. We demonstrate nonlinear metasurface lenses, which act both as generators and as manipulators of the frequency-converted signal.

Octahedral tilting, monoclinic phase and the phase diagram of PZT

NASA Astrophysics Data System (ADS)

Cordero, F.; Trequattrini, F.; Craciun, F.; Galassi, C.

2011-10-01

Anelastic and dielectric spectroscopy measurements on PbZr1-xTixO3 (PZT) close to the morphotropic (MPB) and antiferroelectric boundaries provide new insight into some controversial aspects of its phase diagram. No evidence is found of a border separating monoclinic (M) from rhombohedral (R) phases, in agreement with recent structural studies supporting a coexistence of the two phases over a broad composition range x < 0.5, with the fraction of M increasing toward the MPB. It is also discussed why the observed maximum of elastic compliance appears to be due to a rotational instability of the polarization linearly coupled to shear strain. Therefore it cannot be explained by extrinsic softening from finely twinned R phase alone, but indicates the presence also of M phase, not necessarily homogeneous. A new diffuse transition is found within the ferroelectric phase near x ˜ 0.1, at a temperature TIT higher than the well established boundary TT to the phase with tilted octahedra. It is proposed that around TIT the octahedra start rotating in a disordered manner and finally become ordered below TT. In this interpretation, the onset temperature for octahedral tilting monotonically increases up to the antiferroelectric transition of PbZrO3, and the depression of TT(x) below x = 0.18 would be a consequence of the partial relief of the mismatch between the average cation radii with the initial stage of tilting below TIT.

New ordered metastable phases between the gel and subgel phases in hydrated phospholipids.

PubMed Central

Tenchov, B; Koynova, R; Rapp, G

2001-01-01

Formation of low-temperature ordered gel phases in several fully hydrated phosphatidylethanolamines (PEs) and phosphatidylcholines (PCs) with saturated chains as well as in dipalmitoylphosphatidylglycerol (DPPG) was observed by synchrotron x-ray diffraction, microcalorimetry, and densitometry. The diffraction patterns recorded during slow cooling show that the gel-phase chain reflection cooperatively splits into two reflections, signaling a transformation of the usual gel phase into a more ordered phase, with an orthorhombic chain packing (the Y-transition). This transition is associated with a small decrease (2-4 microl/g) or inflection of the partial specific volume. It is fully reversible with the temperature and displays in heating direction as a small (0.1-0.7 kcal/mol) endothermic event. We recorded a Y-transition in distearoyl PE, dipalmitoyl PE (DPPE), mono and dimethylated DPPE, distearoyl PC, dipalmitoyl PC, diC(15)PC, and DPPG. No such transition exists in dimyristoyl PE and dilauroyl PE where the gel L(beta) phase transforms directly into subgel L(c) phase, as well as in the unsaturated dielaidoyl PE. The PE and PC low-temperature phases denoted L(R1) and SGII, respectively, have different hydrocarbon chain packing. The SGII phase is with tilted chains, arranged in an orthorhombic lattice of two-nearest-neighbor type. Except for the PCs, it was also registered in ionized DPPG. In the L(R1) phase, the chains are perpendicular to the bilayer plane and arranged in an orthorhombic lattice of four-nearest-neighbor type. It was observed in PEs and in protonated DPPG. The L(R1) and SGII phases are metastable phases, which may only be formed by cooling the respective gel L(beta) and L(beta') phases, and not by heating the subgel L(c) phase. Whenever present, they appear to represent an indispensable intermediate step in the formation of the latter phase. PMID:11259300

Shape transformation of viral capsids and HIV

NASA Astrophysics Data System (ADS)

Nguyen, Toan

2005-03-01

We present a continuum description of the shape transformation of viral capsids. The cone-like HIV virus is shown to be an thermodynamic stable shape, intermediate between icosahedral and sphero-cylinder capsid shapes. A generalized Caspar-Klug classification is introduced to describe spherical, conical and cylinderical shapes of virus.

ICTV Virus taxonomy profile: Asfarviridae

USDA-ARS?s Scientific Manuscript database

The family Asfarviridae includes the single species African swine fever virus, isolates of which have linear dsDNA genomes of 170-194 kbp. Virons have an internal core, an internal lipid membrane, an icosahedral capsid and an outer lipid envelope. Infection of domestic pigs and wild boar results i...

Digital phase-locked loop

NASA Technical Reports Server (NTRS)

Cliff, R. A. (Inventor)

1975-01-01

An digital phase-locked loop is provided for deriving a loop output signal from an accumulator output terminal. A phase detecting exclusive OR gate is fed by the loop digital input and output signals. The output of the phase detector is a bi-level digital signal having a duty cycle indicative of the relative phase of the input and output signals. The accumulator is incremented at a first rate in response to a first output level of the phase detector and at a second rate in response to a second output level of the phase detector.

Phase stability in nanoscale material systems: extension from bulk phase diagrams

NASA Astrophysics Data System (ADS)

Bajaj, Saurabh; Haverty, Michael G.; Arróyave, Raymundo; Goddard Frsc, William A., III; Shankar, Sadasivan

2015-05-01

Phase diagrams of multi-component systems are critical for the development and engineering of material alloys for all technological applications. At nano dimensions, surfaces (and interfaces) play a significant role in changing equilibrium thermodynamics and phase stability. In this work, it is shown that these surfaces at small dimensions affect the relative equilibrium thermodynamics of the different phases. The CALPHAD approach for material surfaces (also termed ``nano-CALPHAD'') is employed to investigate these changes in three binary systems by calculating their phase diagrams at nano dimensions and comparing them with their bulk counterparts. The surface energy contribution, which is the dominant factor in causing these changes, is evaluated using the spherical particle approximation. It is first validated with the Au-Si system for which experimental data on phase stability of spherical nano-sized particles is available, and then extended to calculate phase diagrams of similarly sized particles of Ge-Si and Al-Cu. Additionally, the surface energies of the associated compounds are calculated using DFT, and integrated into the thermodynamic model of the respective binary systems. In this work we found changes in miscibilities, reaction compositions of about 5 at%, and solubility temperatures ranging from 100-200 K for particles of sizes 5 nm, indicating the importance of phase equilibrium analysis at nano dimensions.Phase diagrams of multi-component systems are critical for the development and engineering of material alloys for all technological applications. At nano dimensions, surfaces (and interfaces) play a significant role in changing equilibrium thermodynamics and phase stability. In this work, it is shown that these surfaces at small dimensions affect the relative equilibrium thermodynamics of the different phases. The CALPHAD approach for material surfaces (also termed ``nano-CALPHAD'') is employed to investigate these changes in three binary systems by

A Novel Liquid-Liquid Transition in Undercooled Ti-Zr-Ni Liquids

NASA Technical Reports Server (NTRS)

Lee, G. W.; Gangopadhyay, A. K.; Kelton, K. F.; Bradshaw, R. C.; Hyers, R. W.; Rathz, T. J.; Rogers, J. R.

2004-01-01

If crystallization can be avoided, liquids enter a metastable (undercooled) state below their equilibrium liquidus temperatures, T(sub l), finally 'freezing' into a glass below a characteristic temperature called the glass transition temperature, T(sub g). In rare cases, the undercooled liquid may undergo a liquid-liquid phase transition (liquid polymorphism) before entering the glassy state. This has been suggested from experimental studies of H2O and Si. Such phase transitions have been predicted in some stable liquids, ie. above T(sub l) at atmospheric pressure, for SiO2 and BeF2, but these have not been verified experimentally. They have been observed in liquids of P, Si and C, but only under high pressure. In this letter we present the first experimental evidence for a phase transition in a low viscosity metallic liquid that is driven by an approach to a constant entropy configuration state and correlated with a growing icosahedral order in the liquid. A maximum in the specific heat at constant pressure, similar to what is normally observed near T(sub g), is reported for undercooled liquids of quasicrystal-forming Ti-Zr-Ni alloys. A two-state excitation model that includes cooperativity by incorporating a temperature-dependent excitation energy, fits the specific heat data well, signaling a phase transition. An inflection in the liquid density with decreasing temperature instead of a discontinuity indicates that this is not a typical first order phase transition; it could be a weakly first order or higher order transition. While showing many similarities to a glass transition, this liquid-liquid phase transition occurs in a mobile liquid, making it novel.

Phase Separation of Superconducting Phases in the Penson-Kolb-Hubbard Model

NASA Astrophysics Data System (ADS)

Jerzy Kapcia, Konrad; Czart, Wojciech Robert; Ptok, Andrzej

2016-04-01

In this paper, we determine the phase diagrams (for T = 0 as well as T > 0) of the Penson-Kolb-Hubbard model for two dimensional square lattice within Hartree-Fock mean-field theory focusing on an investigation of superconducting phases and on a possibility of the occurrence of the phase separation. We obtain that the phase separation, which is a state of coexistence of two different superconducting phases (with s- and η-wave symmetries), occurs in definite ranges of the electron concentration. In addition, increasing temperature can change the symmetry of the superconducting order parameter (from η-wave into s-wave). The system considered exhibits also an interesting multicritical behaviour including bicritical points. The relevance of the results to experiments for real materials is also discussed.

[Recognition of walking stance phase and swing phase based on moving window].

PubMed

Geng, Xiaobo; Yang, Peng; Wang, Xinran; Geng, Yanli; Han, Yu

2014-04-01

Wearing transfemoral prosthesis is the only way to complete daily physical activity for amputees. Motion pattern recognition is important for the control of prosthesis, especially in the recognizing swing phase and stance phase. In this paper, it is reported that surface electromyography (sEMG) signal is used in swing and stance phase recognition. sEMG signal of related muscles was sampled by Infiniti of a Canadian company. The sEMG signal was then filtered by weighted filtering window and analyzed by height permitted window. The starting time of stance phase and swing phase is determined through analyzing special muscles. The sEMG signal of rectus femoris was used in stance phase recognition and sEMG signal of tibialis anterior is used in swing phase recognition. In a certain tolerating range, the double windows theory, including weighted filtering window and height permitted window, can reach a high accuracy rate. Through experiments, the real walking consciousness of the people was reflected by sEMG signal of related muscles. Using related muscles to recognize swing and stance phase is reachable. The theory used in this paper is useful for analyzing sEMG signal and actual prosthesis control.

The FIM-iHYCOM Model in SubX: Evaluation of Subseasonal Errors and Variability

NASA Astrophysics Data System (ADS)

Green, B.; Sun, S.; Benjamin, S.; Grell, G. A.; Bleck, R.

2017-12-01

NOAA/ESRL/GSD has produced both real-time and retrospective forecasts for the Subseasonal Experiment (SubX) using the FIM-iHYCOM model. FIM-iHYCOM couples the atmospheric Flow-following finite volume Icosahedral Model (FIM) to an icosahedral-grid version of the Hybrid Coordinate Ocean Model (HYCOM). This coupled model is unique in terms of its grid structure: in the horizontal, the icosahedral meshes are perfectly matched for FIM and iHYCOM, eliminating the need for a flux interpolator; in the vertical, both models use adaptive arbitrary Lagrangian-Eulerian hybrid coordinates. For SubX, FIM-iHYCOM initializes four time-lagged ensemble members around each Wednesday, which are integrated forward to provide 32-day forecasts. While it has already been shown that this model has similar predictive skill as NOAA's operational CFSv2 in terms of the RMM index, FIM-iHYCOM is still fairly new and thus its overall performance needs to be thoroughly evaluated. To that end, this study examines model errors as a function of forecast lead week (1-4) - i.e., model drift - for key variables including 2-m temperature, precipitation, and SST. Errors are evaluated against two reanalysis products: CFSR, from which FIM-iHYCOM initial conditions are derived, and the quasi-independent ERA-Interim. The week 4 error magnitudes are similar between FIM-iHYCOM and CFSv2, albeit with different spatial distributions. Also, intraseasonal variability as simulated in these two models will be compared with reanalyses. The impact of hindcast frequency (4 times per week, once per week, or once per day) on the model climatology is also examined to determine the implications for systematic error correction in FIM-iHYCOM.

Separation of alkylphenols by normal-phase and reversed-phase high-performance liquid chromatography

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

Schabron, J.F.; Hurtubise, R.J.; Silver, H.F.

1978-11-01

Empirical correlation factors were developed which relate log k' values for alkylphenols, the naphthols, and two phenylphenols to structural features. Both normal-phase and reversed-phase chromatographic systems were studied. The stationary phases employed in the normal-phase work were ..mu..-Bondapak CN, ..mu..-Bondapak NH/sub 2/, and ..mu..-Porasil. The structural features which affect retention in the normal-phase chromatographic systems are the number of ortho substituents, the number of aliphatic carbons, and the number of aromatic rings. The stationary phases employed in the reversed-phase work were ..mu..-Bondapak C/sub 18/ and ..mu..-Bondapak CN. The structural features which affect retention in the reversed-phase chromatographic systems are themore » number of aliphatic carbons and the number of aromatic double bonds. On ..mu..-Bondapak C/sub 18/, the presence or absence of a nonaromatic ring is of added importance.« less

Atomic structure and pressure-induced phase transformations in a phase-change alloy

NASA Astrophysics Data System (ADS)

Xu, Ming

Phase-change materials exist in at least two phases under the ambient condition. One is the amorphous state and another is crystalline phase. These two phases have vastly different physical properties, such as electrical conductivity, optical reflectivity, mass density, thermal conductivity, etc. The distinct physical properties and the fast transformation between amorphous and crystalline phases render these materials the ability to store information. For example, the DVD and the Blue-ray discs take advantage of the optical reflectivity contrast, and the newly developed solid-state memories make use of the large conductivity difference. In addition, both the amorphous and crystalline phases in phase-change memories (PCMs) are very stable at room temperature, and they are easy to be scaled up in the production of devices with large storage density. All these features make phase-change materials the ideal candidates for the next-generation memories. Despite of the fast development of these new memory materials in industry, many fundamental physics problems underlying these interesting materials are still not fully resolved. This thesis is aiming at solving some of the key issues in phase-change materials. Most of phase-change materials are composed of Ge-Sb-Te constituents. Among all these Ge-Sb-Te based materials, Ge2Sb2Te5 (GST) has the best performance and has been frequently studied as a prototypical phase-change material. The first and foremost issue is the structure of the two functioning phases. In this thesis, we investigate the unique atomic structure and bonding nature of amorphous GST (a-GST) and crystalline GST ( c-GST), using ab initio tools and X-ray diffraction (XRD) methods. Their local structures and bonding scenarios are then analyzed using electronic structure calculations. In order to gain insight into the fast phase transformation mechanism, we also carried out a series of high-pressure experiments on GST. Several new polymorphs and their

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

Quantitative phase imaging and complex field reconstruction by pupil modulation differential phase contrast

PubMed Central

Lu, Hangwen; Chung, Jaebum; Ou, Xiaoze; Yang, Changhuei

2016-01-01

Differential phase contrast (DPC) is a non-interferometric quantitative phase imaging method achieved by using an asymmetric imaging procedure. We report a pupil modulation differential phase contrast (PMDPC) imaging method by filtering a sample’s Fourier domain with half-circle pupils. A phase gradient image is captured with each half-circle pupil, and a quantitative high resolution phase image is obtained after a deconvolution process with a minimum of two phase gradient images. Here, we introduce PMDPC quantitative phase image reconstruction algorithm and realize it experimentally in a 4f system with an SLM placed at the pupil plane. In our current experimental setup with the numerical aperture of 0.36, we obtain a quantitative phase image with a resolution of 1.73μm after computationally removing system aberrations and refocusing. We also extend the depth of field digitally by 20 times to ±50μm with a resolution of 1.76μm. PMID:27828473

Phase Control in Nonlinear Systems

NASA Astrophysics Data System (ADS)

Zambrano, Samuel; Seoane, Jesús M.; Mariño, Inés P.; Sanjuán, Miguel A. F.; Meucci, Riccardo

The following sections are included: * Introduction * Phase Control of Chaos * Description of the model * Numerical exploration of phase control of chaos * Experimental evidence of phase control of chaos * Phase Control of Intermittency in Dynamical Systems * Crisis-induced intermittency and its control * Experimental setup and implementation of the phase control scheme * Phase control of the laser in the pre-crisis regime * Phase control of the intermittency after the crisis * Phase control of the intermittency in the quadratic map * Phase Control of Escapes in Open Dynamical Systems * Control of open dynamical systems * Model description * Numerical simulations and heuristic arguments * Experimental implementation in an electronic circuit * Conclusions and Discussions * Acknowledgments * References

Single-shot quantitative phase microscopy with color-multiplexed differential phase contrast (cDPC)

PubMed Central

2017-01-01

We present a new technique for quantitative phase and amplitude microscopy from a single color image with coded illumination. Our system consists of a commercial brightfield microscope with one hardware modification—an inexpensive 3D printed condenser insert. The method, color-multiplexed Differential Phase Contrast (cDPC), is a single-shot variant of Differential Phase Contrast (DPC), which recovers the phase of a sample from images with asymmetric illumination. We employ partially coherent illumination to achieve resolution corresponding to 2× the objective NA. Quantitative phase can then be used to synthesize DIC and phase contrast images or extract shape and density. We demonstrate amplitude and phase recovery at camera-limited frame rates (50 fps) for various in vitro cell samples and c. elegans in a micro-fluidic channel. PMID:28152023

Single-shot quantitative phase microscopy with color-multiplexed differential phase contrast (cDPC).

PubMed

Phillips, Zachary F; Chen, Michael; Waller, Laura

2017-01-01

We present a new technique for quantitative phase and amplitude microscopy from a single color image with coded illumination. Our system consists of a commercial brightfield microscope with one hardware modification-an inexpensive 3D printed condenser insert. The method, color-multiplexed Differential Phase Contrast (cDPC), is a single-shot variant of Differential Phase Contrast (DPC), which recovers the phase of a sample from images with asymmetric illumination. We employ partially coherent illumination to achieve resolution corresponding to 2× the objective NA. Quantitative phase can then be used to synthesize DIC and phase contrast images or extract shape and density. We demonstrate amplitude and phase recovery at camera-limited frame rates (50 fps) for various in vitro cell samples and c. elegans in a micro-fluidic channel.

PHASE DIFFERENTIAL INDICATING CIRCUIT

DOEpatents

Kirsten, F.A.

1962-01-01

An electronic circuit for totalizing the net phase difference between two alternating current signals is designed which responds to both increasing and decreasing phase changes. A phase comparator provldes an output pulse for each 360 deg of phase difference occurring, there being a negative pulse for phase shtft in one direction and a positive pulse for a phase shift in the opposite direction. A counting circuit utilizing glow discharge tubes receives the negative and positive pulses at a single input terminal and provides a running net total, pulses of one polarity dded and pulses of the opposite polarity being subtracted. The glow discharge tubes may be decaded to increase the total count capacity. (AEC)

Phase jitter in a differential phase experiment.

NASA Technical Reports Server (NTRS)

Tanenbaum, B. S.; Connolly, D. J.; Austin, G. L.

1973-01-01

Austin (1971) had concluded that, because of the 'phase jitter,' the differential phase experiment is useful over a more limited height range than the differential absorption experiment. Several observations are presented to show that this conclusion is premature. It is pointed out that the logical basis of the differential absorption experiment also requires that the O- and X-mode echoes, at a given time, come from the same irregularities. Austin's calculations are believed to contain a systematic error above 80 km.

N-Consecutive-Phase Encoder

NASA Technical Reports Server (NTRS)

Divsalar, Dariush; Lee, Ho-Kyoung; Weber, Charles

1995-01-01

N-consecutive-phase encoder (NCPE) is conceptual encoder for generating alphabet of N consecutive full-response continuous-phase-modulation (CPM) signals. Enables use of binary preencoder of higher rate than used with simple continuous-phase encoder (CPE). NCPE makes possible to achieve power efficiencies and bandwidth efficiencies greater than conventional trellis coders with continuous-phase frequency-shift keying (CPFSK).

Comparing phase-sensitive and phase-insensitive echolocation target images using a monaural audible sonar.

PubMed

Kuc, Roman

2018-04-01

This paper describes phase-sensitive and phase-insensitive processing of monaural echolocation waveforms to generate target maps. Composite waveforms containing both the emission and echoes are processed to estimate the target impulse response using an audible sonar. Phase-sensitive processing yields the composite signal envelope, while phase-insensitive processing that starts with the composite waveform power spectrum yields the envelope of the autocorrelation function. Analysis and experimental verification show that multiple echoes form an autocorrelation function that produces near-range phantom-reflector artifacts. These artifacts interfere with true target echoes when the first true echo occurs at a time that is less than the total duration of the target echoes. Initial comparison of phase-sensitive and phase-insensitive maps indicates that both display important target features, indicating that phase is not vital. A closer comparison illustrates the improved resolution of phase-sensitive processing, the near-range phantom-reflectors produced by phase-insensitive processing, and echo interference and multiple reflection artifacts that were independent of the processing.

Pixel-by-pixel absolute phase retrieval using three phase-shifted fringe patterns without markers

NASA Astrophysics Data System (ADS)

Jiang, Chufan; Li, Beiwen; Zhang, Song

2017-04-01

This paper presents a method that can recover absolute phase pixel by pixel without embedding markers on three phase-shifted fringe patterns, acquiring additional images, or introducing additional hardware component(s). The proposed three-dimensional (3D) absolute shape measurement technique includes the following major steps: (1) segment the measured object into different regions using rough priori knowledge of surface geometry; (2) artificially create phase maps at different z planes using geometric constraints of structured light system; (3) unwrap the phase pixel by pixel for each region by properly referring to the artificially created phase map; and (4) merge unwrapped phases from all regions into a complete absolute phase map for 3D reconstruction. We demonstrate that conventional three-step phase-shifted fringe patterns can be used to create absolute phase map pixel by pixel even for large depth range objects. We have successfully implemented our proposed computational framework to achieve absolute 3D shape measurement at 40 Hz.

A novel phase retrieval method from three-wavelength in-line phase-shifting interferograms based on positive negative 2π phase shifts

NASA Astrophysics Data System (ADS)

Xu, Xiaoqing; Wang, Yawei; Ji, Ying; Xu, Yuanyuan; Xie, Ming

2018-01-01

A new method to extract quantitative phases for each wavelength from three-wavelength in-line phase-shifting interferograms is proposed. Firstly, seven interferograms with positive negative 2π phase shifts are sequentially captured by using the phase-shifting technique. Secondly, six dc-term suppressed intensities can be achieved by the use of the algebraic algorithm. Finally, the wrapped phases at the three wavelengths can be acquired simultaneously from these six interferograms add-subtracting by employing the trigonometric function method. The surface morphology with increased ambiguity-free range at synthetic beat wavelength can be obtained, while maintaining the low noise precision of the single wavelength measurement, by combining this method with three-wavelength phase unwrapping method. We illustrate the principle of this algorithm, and the simulated experiments of the spherical cap and the HeLa cell are conducted to prove our proposed method, respectively.

On the role of spatial phase and phase correlation in vision, illusion, and cognition

PubMed Central

Gladilin, Evgeny; Eils, Roland

2015-01-01

Numerous findings indicate that spatial phase bears an important cognitive information. Distortion of phase affects topology of edge structures and makes images unrecognizable. In turn, appropriately phase-structured patterns give rise to various illusions of virtual image content and apparent motion. Despite a large body of phenomenological evidence not much is known yet about the role of phase information in neural mechanisms of visual perception and cognition. Here, we are concerned with analysis of the role of spatial phase in computational and biological vision, emergence of visual illusions and pattern recognition. We hypothesize that fundamental importance of phase information for invariant retrieval of structural image features and motion detection promoted development of phase-based mechanisms of neural image processing in course of evolution of biological vision. Using an extension of Fourier phase correlation technique, we show that the core functions of visual system such as motion detection and pattern recognition can be facilitated by the same basic mechanism. Our analysis suggests that emergence of visual illusions can be attributed to presence of coherently phase-shifted repetitive patterns as well as the effects of acuity compensation by saccadic eye movements. We speculate that biological vision relies on perceptual mechanisms effectively similar to phase correlation, and predict neural features of visual pattern (dis)similarity that can be used for experimental validation of our hypothesis of “cognition by phase correlation.” PMID:25954190

On the role of spatial phase and phase correlation in vision, illusion, and cognition.

PubMed

Gladilin, Evgeny; Eils, Roland

2015-01-01

Numerous findings indicate that spatial phase bears an important cognitive information. Distortion of phase affects topology of edge structures and makes images unrecognizable. In turn, appropriately phase-structured patterns give rise to various illusions of virtual image content and apparent motion. Despite a large body of phenomenological evidence not much is known yet about the role of phase information in neural mechanisms of visual perception and cognition. Here, we are concerned with analysis of the role of spatial phase in computational and biological vision, emergence of visual illusions and pattern recognition. We hypothesize that fundamental importance of phase information for invariant retrieval of structural image features and motion detection promoted development of phase-based mechanisms of neural image processing in course of evolution of biological vision. Using an extension of Fourier phase correlation technique, we show that the core functions of visual system such as motion detection and pattern recognition can be facilitated by the same basic mechanism. Our analysis suggests that emergence of visual illusions can be attributed to presence of coherently phase-shifted repetitive patterns as well as the effects of acuity compensation by saccadic eye movements. We speculate that biological vision relies on perceptual mechanisms effectively similar to phase correlation, and predict neural features of visual pattern (dis)similarity that can be used for experimental validation of our hypothesis of "cognition by phase correlation."

Effect of the Gouy phase on the coherent phase control of chemical reactions.

PubMed

Gordon, Robert J; Barge, Vishal J

2007-11-28

We show how the spatial phase of a focused laser beam may be used as a tool for controlling the branching ratio of a chemical reaction. Guoy discovered [Acad. Sci., Paris, C. R. 110, 1250 (1890)] that when an electromagnetic wave passes through a focus its phase increases by pi. In a coherent control scheme involving the absorption of n photons of frequency omega(m) and m photons of frequency omega(n), the overall phase shift produced by the Gouy phase is (n-m)pi. At any given point in space, this phase shift is identical for all reaction products. Nevertheless, if the yields for different reaction channels have different intensity dependencies, the Gouy phase produces a net phase lag between the products that varies with the axial coordinate of the laser focus. We obtain here analytical and numerical values of this phase as the laser focus is scanned across the diameter of the molecular beam, taking into account the Rayleigh range and astigmatism of the laser beam and saturation of the transition. We also show that the modulation depth of the interference pattern may be increased by optimizing the relative intensities of the two fields.

Phase Behavior of Binary Mixture of Heptaethylene Glycol Decyl Ether and Water: Formation of Phase Compound in Solid Phase

PubMed

Nibu; Suemori; Inoue

1997-07-01

Differential scanning calorimetry (DSC) and Fourier transform infrared spectroscopy (FT-IR) were used to construct and characterize the phase diagram for a binary mixture of heptaethylene glycol decyl ether (C10 E7 ) and water in the temperature range from -60 to 80°C. Plots of the endothermic peak temperatures obtained by DSC measurements against compositions provided eutectic solid-liquid phase boundaries with a eutectic composition of 34 wt% of H2 O. On the other hand, heat of fusion per unit weight of the mixture changed discretely at the composition corresponding to the "eutectic" composition. Furthermore, the IR spectra obtained for the mixture in the solid phase were well reproduced as a superposition of those for the mixture of 34 wt% H2 O and pure components but were not reproduced by superimposing the spectra obtained for the solid surfactant and ice. These observations indicate that a solid phase compound is formed between C10 E7 and water with a stoichiometry of 1:14 and that the compound and pure components exist as separate phases, rather than the phases separating into surfactant and ice, which would be expected if the C10 E7 /water mixture formed a true eutectic mixture system. It is estimated from the composition corresponding to the phase compounds that two molecules of water per oxyethylene unit are bound to hydrophilic polyoxyethylene chain of C10 E7 to form a hydrated compound.

Compact nanomechanical plasmonic phase modulators [Ultracompact nano-mechanical plasmonic phase modulators

DOE PAGES

Dennis, B. S.; Haftel, M. I.; Czaplewski, D. A.; ...

2015-03-30

Highly confined optical energy in plasmonic devices is advancing miniaturization in photonics. However, for mode sizes approaching ≈10 nm, the energy increasingly shifts into the metal, raising losses and hindering active phase modulation. Here, we propose a nanoelectromechanical phase-modulation principle exploiting the extraordinarily strong dependence of the phase velocity of metal–insulator–metal gap plasmons on dynamically variable gap size. We experimentally demonstrate a 23-μm-long non-resonant modulator having a 1.5π rad range, with 1.7 dB excess loss at 780 nm. Analysis shows that by simultaneously decreasing the gap, length and width, an ultracompact-footprint π rad phase modulator can be realized. This ismore » achieved without incurring the extra loss expected for plasmons confined in a decreasing gap, because the increasing phase-modulation strength from a narrowing gap offsets rising propagation losses. Here, such small, high-density electrically controllable components may find applications in optical switch fabrics and reconfigurable plasmonic optics.« less

Competing phases, phase separation, and coexistence in the extended one-dimensional bosonic Hubbard model

DOE PAGES

Batrouni, G. G.; Rousseau, V. G.; Scalettar, R. T.; ...

2014-11-17

Here, we study the phase diagram of the one-dimensional bosonic Hubbard model with contact (U) and near neighbor (V ) interactions focusing on the gapped Haldane insulating (HI) phase which is characterized by an exotic nonlocal order parameter. The parameter regime (U, V and μ) where this phase exists and how it competes with other phases such as the supersolid (SS) phase, is incompletely understood. We use the Stochastic Green Function quantum Monte Carlo algorithm as well as the density matrix renormalization group to map out the phase diagram. The HI exists only at = 1, the SS phase existsmore » for a very wide range of parameters (including commensurate fillings) and displays power law decay in the one body Green function were our main conclusions. Additionally, we show that at fixed integer density, the system exhibits phase separation in the (U, V ) plane.« less

Cross-phase modulation spectral shifting: nonlinear phase contrast in a pump-probe microscope

PubMed Central

Wilson, Jesse W.; Samineni, Prathyush; Warren, Warren S.; Fischer, Martin C.

2012-01-01

Microscopy with nonlinear phase contrast is achieved by a simple modification to a nonlinear pump-probe microscope. The technique measures cross-phase modulation by detecting a pump-induced spectral shift in the probe pulse. Images with nonlinear phase contrast are acquired both in transparent and absorptive media. In paraffin-embedded biopsy sections, cross-phase modulation complements the chemically-specific pump-probe images with structural context. PMID:22567580

Investigation of phase distribution using Phame® in-die phase measurements

NASA Astrophysics Data System (ADS)

Buttgereit, Ute; Perlitz, Sascha

2009-03-01

As lithography mask processes move toward 45nm and 32nm node, mask complexity increases steadily, mask specifications tighten and process control becomes extremely important. Driven by this fact the requirements for metrology tools increase as well. Efforts in metrology have been focused on accurately measuring CD linearity and uniformity across the mask, and accurately measuring phase variation on Alternating/Attenuated PSM and transmission for Attenuated PSM. CD control on photo masks is usually done through the following processes: exposure dose/focus change, resist develop and dry etch. The key requirement is to maintain correct CD linearity and uniformity across the mask. For PSM specifically, the effect of CD uniformity for both Alternating PSM and Attenuated PSM and etch depth for Alternating PSM becomes also important. So far phase measurement has been limited to either measuring large-feature phase using interferometer-based metrology tools or measuring etch depth using AFM and converting etch depth into phase under the assumption that trench profile and optical properties of the layers remain constant. However recent investigations show that the trench profile and optical property of layers impact the phase. This effect is getting larger for smaller CD's. The currently used phase measurement methods run into limitations because they are not able to capture 3D mask effects, diffraction limitations or polarization effects. The new phase metrology system - Phame(R) developed by Carl Zeiss SMS overcomes those limitations and enables laterally resolved phase measurement in any kind of production feature on the mask. The resolution of the system goes down to 120nm half pitch at mask level. We will report on tool performance data with respect to static and dynamic phase repeatability focusing on Alternating PSM. Furthermore the phase metrology system was used to investigate mask process signatures on Alternating PSM in order to further improve the overall PSM

Tube Radial Distribution Flow Separation in a Microchannel Using an Ionic Liquid Aqueous Two-Phase System Based on Phase Separation Multi-Phase Flow.

PubMed

Nagatani, Kosuke; Shihata, Yoshinori; Matsushita, Takahiro; Tsukagoshi, Kazuhiko

2016-01-01

Ionic liquid aqueous two-phase systems were delivered into a capillary tube to achieve tube radial distribution flow (TRDF) or annular flow in a microspace. The phase diagram, viscosity of the phases, and TRDF image of the 1-butyl-3-methylimidazolium chloride and NaOH system were examined. The TRDF was formed with inner ionic liquid-rich and outer ionic liquid-poor phases in the capillary tube. The phase configuration was explained using the viscous dissipation principle. We also examined the distribution of rhodamine B in a three-branched microchannel on a microchip with ionic liquid aqueous two-phase systems for the first time.

Halophilic viruses with varying biochemical and biophysical properties are amenable to purification with asymmetrical flow field-flow fractionation.

PubMed

Eskelin, Katri; Lampi, Mirka; Meier, Florian; Moldenhauer, Evelin; Bamford, Dennis H; Oksanen, Hanna M

2017-11-01

Viruses come in various shapes and sizes, and a number of viruses originate from extremities, e.g. high salinity or elevated temperature. One challenge for studying extreme viruses is to find efficient purification conditions where viruses maintain their infectivity. Asymmetrical flow field-flow fractionation (AF4) is a gentle native chromatography-like technique for size-based separation. It does not have solid stationary phase and the mobile phase composition is readily adjustable according to the sample needs. Due to the high separation power of specimens up to 50 µm, AF4 is suitable for virus purification. Here, we applied AF4 for extremophilic viruses representing four morphotypes: lemon-shaped, tailed and tailless icosahedral, as well as pleomorphic enveloped. AF4 was applied to input samples of different purity: crude supernatants of infected cultures, polyethylene glycol-precipitated viruses and viruses purified by ultracentrifugation. All four virus morphotypes were successfully purified by AF4. AF4 purification of culture supernatants or polyethylene glycol-precipitated viruses yielded high recoveries, and the purities were comparable to those obtained by the multistep ultracentrifugation purification methods. In addition, we also demonstrate that AF4 is a rapid monitoring tool for virus production in slowly growing host cells living in extreme conditions.

Re-entrant phase behavior for systems with competition between phase separation and self-assembly

NASA Astrophysics Data System (ADS)

Reinhardt, Aleks; Williamson, Alexander J.; Doye, Jonathan P. K.; Carrete, Jesús; Varela, Luis M.; Louis, Ard A.

2011-03-01

In patchy particle systems where there is a competition between the self-assembly of finite clusters and liquid-vapor phase separation, re-entrant phase behavior can be observed, with the system passing from a monomeric vapor phase to a region of liquid-vapor phase coexistence and then to a vapor phase of clusters as the temperature is decreased at constant density. Here, we present a classical statistical mechanical approach to the determination of the complete phase diagram of such a system. We model the system as a van der Waals fluid, but one where the monomers can assemble into monodisperse clusters that have no attractive interactions with any of the other species. The resulting phase diagrams show a clear region of re-entrance. However, for the most physically reasonable parameter values of the model, this behavior is restricted to a certain range of density, with phase separation still persisting at high densities.

Instantaneous phase-shifting Fizeau interferometry with high-speed pixelated phase-mask camera

NASA Astrophysics Data System (ADS)

Yatagai, Toyohiko; Jackin, Boaz Jessie; Ono, Akira; Kiyohara, Kosuke; Noguchi, Masato; Yoshii, Minoru; Kiyohara, Motosuke; Niwa, Hayato; Ikuo, Kazuyuki; Onuma, Takashi

2015-08-01

A Fizeou interferometer with instantaneous phase-shifting ability using a Wollaston prism is designed. to measure dynamic phase change of objects, a high-speed video camera of 10-5s of shutter speed is used with a pixelated phase-mask of 1024 × 1024 elements. The light source used is a laser of wavelength 532 nm which is split into orthogonal polarization states by passing through a Wollaston prism. By adjusting the tilt of the reference surface it is possible to make the reference and object beam with orthogonal polarizations states to coincide and interfere. Then the pixelated phase-mask camera calculate the phase changes and hence the optical path length difference. Vibration of speakers and turbulence of air flow were successfully measured in 7,000 frames/sec.

Phase transformations in an ascending adiabatic mixed-phase cloud volume

NASA Astrophysics Data System (ADS)

Pinsky, M.; Khain, A.; Korolev, A.

2015-04-01

Regimes of liquid-ice coexistence that may form in an adiabatic parcel ascending at constant velocity at freezing temperatures are investigated. Four zones with different microphysical structures succeeding one another along the vertical direction have been established. On the basis of a novel balance equation, analytical expressions are derived to determine the conditions specific for each of these zones. In particular, the necessary and sufficient conditions for formation of liquid water phase within an ascending parcel containing only ice particles are determined. The results are compared to findings reported in earlier studies. The role of the Wegener-Bergeron-Findeisen mechanism in the phase transformation is analyzed. The dependence of the phase relaxation time on height in the four zones is investigated on the basis of a novel analytical expression. The results obtained in the study can be instrumental for analysis and interpretation of observed mixed-phase clouds.

Phase-change materials handbook

NASA Technical Reports Server (NTRS)

Hale, D. V.; Hoover, M. J.; Oneill, M. J.

1972-01-01

Handbook describes relationship between phase-change materials and more conventional thermal control techniques and discusses materials' space and terrestrial applications. Material properties of most promising phase-change materials and purposes and uses of metallic filler materials in phase-change material composites are provided.

Gymnastics in Phase Space

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

Chao, Alexander Wu; /SLAC

2012-03-01

As accelerator technology advances, the requirements on accelerator beam quality become increasingly demanding. Facing these new demands, the topic of phase space gymnastics is becoming a new focus of accelerator physics R&D. In a phase space gymnastics, the beam's phase space distribution is manipulated and precision tailored to meet the required beam qualities. On the other hand, all realization of such gymnastics will have to obey accelerator physics principles as well as technological limitations. Recent examples of phase space gymnastics include Emittance exchanges, Phase space exchanges, Emittance partitioning, Seeded FELs and Microbunched beams. The emittance related topics of this listmore » are reviewed in this report. The accelerator physics basis, the optics design principles that provide these phase space manipulations, and the possible applications of these gymnastics, are discussed. This fascinating new field promises to be a powerful tool of the future.« less

Crystal phase identification

DOEpatents

Michael, Joseph R.; Goehner, Raymond P.; Schlienger, Max E.

2001-01-01

A method and apparatus for determining the crystalline phase and crystalline characteristics of a sample. This invention provides a method and apparatus for unambiguously identifying and determining the crystalline phase and crystalline characteristics of a sample by using an electron beam generator, such as a scanning electron microscope, to obtain a backscattered electron Kikuchi pattern of a sample, and extracting crystallographic and composition data that is matched to database information to provide a quick and automatic method to identify crystalline phases.

PERFORMANCE-BASED CONTRACTING IN CONSTRUCTION PHASE AND MAINTENANCE PHASE OF PAVEMENT

NASA Astrophysics Data System (ADS)

Yoshida, Takeshi

Performance-based contracting for pavement in Japan started as performance warranties in construction phase, in 1999. Recently, road agencies have recognized the applicability of this type of contracting in outsourcing of maintenance activities. The objectives of this study are to clarify the issues of performance specifying in construction phase and maintenance phase of pavement, and to propose measures to be taken. This paper, with the recognition that the life of each pavement depends on performance standards for various attributes, reviews domestic and foreign examples of performance-based contracting. A performance standard based on the average of current practices can enhance product quality and service life with a warranty contract. Repair thresholds and response time for each deficiency should be considered as performance standards in maintenance phase.

Isothermal lipid phase transitions.

PubMed

Cevc, G

1991-03-01

In liotropic lipid systems phase transitions can be induced isothermally by changing the solvent concentration or composition; alternatively, lipid composition can be modified by (bio)chemical means. The probability for isothermal phase transitions increases with the decreasing transition entropy; it is proportional to the magnitude of the transition temperature shift caused by transformation-inducing system variation. Manipulations causing large thermodynamic effects, such as lipid (de)hydration, binding of protons or divalent ions and macromolecular adsorption, but also close bilayer approach are, therefore, likely to cause structural lipid change(s) at a constant temperature. Net lipid charges enhance the membrane susceptibility to salt-induced isothermal phase transitions; a large proportion of this effect is due to the bilayer dehydration, however, rather than being a consequence of the decreased Coulombic electrostatic interactions. Membrane propensity for isothermal phase transitions, consequently, always increases with the hydrophilicity of the lipid heads, as well as with the desaturation and shortening of the lipid chains. Upon a phase change at a constant temperature, some of the interfacially bound solutes (e.g. protons or calcium) are released in the solution. Membrane permeability and fusogenicity simultaneously increase. In mixed systems, isothermal phase transitions, moreover, may result in lateral phase separation. All this opens up ways for the involvement of isothermal phase transitions in the regulation of biological processes.

Retention mechanism of hypercrosslinked polystyrene silica hybrid phase in normal phase chromatography.

PubMed

Wu, Di; Nedev, Georgi K; Lucy, Charles A

2014-11-28

Hypercrosslinked polystyrene phases have been described as quasi-normal phase because they lack discrete polar sites. Retention on the HC-Tol column is investigated using the Snyder-Soczewinski model. Solvent strength of different hexane-solvent binary mobile phase compositions can be predicted with solvent strength of pure dichloromethane (DCM, 0.159), tetrahydrofuran (THF, 0.22), and benzene (0.127). The HC-Tol column is shown to be a localizing adsorptive phase. Also, site-competition delocalization on HC-Tol demonstrates that whatever its adsorption groups are, they are able to participate in lateral interactions. Copyright © 2014 Elsevier B.V. All rights reserved.

Phase recovery from a single interferogram with closed fringes by phase unwrapping

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

Munoz-Maciel, Jesus; Casillas-Rodriguez, Francisco J.; Mora-Gonzalez, Miguel

2011-01-01

We describe a new algorithm for phase determination from a single interferogram with closed fringes based on an unwrapping procedure. Here we use bandpass filtering in the Fourier domain, obtaining two wrapped phases with sign changes corresponding to the orientation of the applied filters. An unwrapping scheme that corrects the sign ambiguities by comparing the local derivatives is then proposed. This can be done, assuming that the phase derivatives do not change abruptly among adjacent areas as occurs with smooth continuous phase maps. The proposed algorithm works fast and is robust against noise, as demonstrated in experimental and simulated data.

Using phase II data for the analysis of phase III studies: An application in rare diseases.

PubMed

Wandel, Simon; Neuenschwander, Beat; Röver, Christian; Friede, Tim

2017-06-01

Clinical research and drug development in orphan diseases are challenging, since large-scale randomized studies are difficult to conduct. Formally synthesizing the evidence is therefore of great value, yet this is rarely done in the drug-approval process. Phase III designs that make better use of phase II data can facilitate drug development in orphan diseases. A Bayesian meta-analytic approach is used to inform the phase III study with phase II data. It is particularly attractive, since uncertainty of between-trial heterogeneity can be dealt with probabilistically, which is critical if the number of studies is small. Furthermore, it allows quantifying and discounting the phase II data through the predictive distribution relevant for phase III. A phase III design is proposed which uses the phase II data and considers approval based on a phase III interim analysis. The design is illustrated with a non-inferiority case study from a Food and Drug Administration approval in herpetic keratitis (an orphan disease). Design operating characteristics are compared to those of a traditional design, which ignores the phase II data. An analysis of the phase II data reveals good but insufficient evidence for non-inferiority, highlighting the need for a phase III study. For the phase III study supported by phase II data, the interim analysis is based on half of the patients. For this design, the meta-analytic interim results are conclusive and would justify approval. In contrast, based on the phase III data only, interim results are inconclusive and require further evidence. To accelerate drug development for orphan diseases, innovative study designs and appropriate methodology are needed. Taking advantage of randomized phase II data when analyzing phase III studies looks promising because the evidence from phase II supports informed decision-making. The implementation of the Bayesian design is straightforward with public software such as R.

Deterministic composite nanophotonic lattices in large area for broadband applications

NASA Astrophysics Data System (ADS)

Xavier, Jolly; Probst, Jürgen; Becker, Christiane

2016-12-01

Exotic manipulation of the flow of photons in nanoengineered materials with an aperiodic distribution of nanostructures plays a key role in efficiency-enhanced broadband photonic and plasmonic technologies for spectrally tailorable integrated biosensing, nanostructured thin film solarcells, white light emitting diodes, novel plasmonic ensembles etc. Through a generic deterministic nanotechnological route here we show subwavelength-scale silicon (Si) nanostructures on nanoimprinted glass substrate in large area (4 cm2) with advanced functional features of aperiodic composite nanophotonic lattices. These nanophotonic aperiodic lattices have easily tailorable supercell tiles with well-defined and discrete lattice basis elements and they show rich Fourier spectra. The presented nanophotonic lattices are designed functionally akin to two-dimensional aperiodic composite lattices with unconventional flexibility- comprising periodic photonic crystals and/or in-plane photonic quasicrystals as pattern design subsystems. The fabricated composite lattice-structured Si nanostructures are comparatively analyzed with a range of nanophotonic structures with conventional lattice geometries of periodic, disordered random as well as in-plane quasicrystalline photonic lattices with comparable lattice parameters. As a proof of concept of compatibility with advanced bottom-up liquid phase crystallized (LPC) Si thin film fabrication, the experimental structural analysis is further extended to double-side-textured deterministic aperiodic lattice-structured 10 μm thick large area LPC Si film on nanoimprinted substrates.

Structural disorder in the decagonal Al-Co-Ni. II. Modeling

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

Kobas, Miroslav; Weber, Thomas; Steurer, Walter

2005-06-01

The hydrodynamic theory of phasonic and phononic disorder is applied successfully to describe the short-range disordered structure of a decagonal Al{sub 71.5}Co{sub 14.6}Ni{sub 13.9} quasicrystal (Edagawa phase, superstructure type I). Moreover, model calculations demonstrate that the main features of diffuse scattering can be equally well described by phasonic disorder and fivefold orientational disorder of clusters. The calculations allow us to distinguish the different cluster types published so far and the best agreement with experimental data could be achieved with the mirror-symmetric Abe cluster. Modeling of phason diffuse scattering associated with the S1 and S2 superstructure reflections indicate disorder of superclusters.more » The former show basically intercluster correlations inside quasiperiodic layers, while the latter exhibit intra- and inter-cluster correlations, both between adjacent and inside quasiperiodic layers. The feasibility, potential, and limits of the Patterson method in combination with the punch-and-fill method employed is shown on the example of a phasonic disordered rhombic Penrose tiling. A variation of the elastic constants does not change qualitatively the way phasonic disorder is realized in the local quasicrystalline structure. For the same model system it is also shown that phasonic fluctuations of the atomic surfaces yield average clusters in the cut space, which correspond to fivefold orientationally disordered clusters.« less

Deterministic composite nanophotonic lattices in large area for broadband applications

PubMed Central

Xavier, Jolly; Probst, Jürgen; Becker, Christiane

2016-01-01

Exotic manipulation of the flow of photons in nanoengineered materials with an aperiodic distribution of nanostructures plays a key role in efficiency-enhanced broadband photonic and plasmonic technologies for spectrally tailorable integrated biosensing, nanostructured thin film solarcells, white light emitting diodes, novel plasmonic ensembles etc. Through a generic deterministic nanotechnological route here we show subwavelength-scale silicon (Si) nanostructures on nanoimprinted glass substrate in large area (4 cm2) with advanced functional features of aperiodic composite nanophotonic lattices. These nanophotonic aperiodic lattices have easily tailorable supercell tiles with well-defined and discrete lattice basis elements and they show rich Fourier spectra. The presented nanophotonic lattices are designed functionally akin to two-dimensional aperiodic composite lattices with unconventional flexibility- comprising periodic photonic crystals and/or in-plane photonic quasicrystals as pattern design subsystems. The fabricated composite lattice-structured Si nanostructures are comparatively analyzed with a range of nanophotonic structures with conventional lattice geometries of periodic, disordered random as well as in-plane quasicrystalline photonic lattices with comparable lattice parameters. As a proof of concept of compatibility with advanced bottom-up liquid phase crystallized (LPC) Si thin film fabrication, the experimental structural analysis is further extended to double-side-textured deterministic aperiodic lattice-structured 10 μm thick large area LPC Si film on nanoimprinted substrates. PMID:27941869

An Externalized Polypeptide Partitions between Two Distinct Sites on Genome-Released Poliovirus Particles ▿

PubMed Central

Lin, Jun; Cheng, Naiqian; Chow, Marie; Filman, David J.; Steven, Alasdair C.; Hogle, James M.; Belnap, David M.

2011-01-01

During cell entry, native poliovirus (160S) converts to a cell-entry intermediate (135S) particle, resulting in the externalization of capsid proteins VP4 and the amino terminus of VP1 (residues 1 to 53). Externalization of these entities is followed by release of the RNA genome (uncoating), leaving an empty (80S) particle. The antigen-binding fragment (Fab) of a monospecific peptide 1 (P1) antibody, which was raised against a peptide corresponding to amino-terminal residues 24 to 40 of VP1, was utilized to track the location of the amino terminus of VP1 in the 135S and 80S states of poliovirus particles via cryogenic electron microscopy (cryo-EM) and three-dimensional image reconstruction. On 135S, P1 Fabs bind to a prominent feature on the external surface known as the “propeller tip.” In contrast, our initial 80S-P1 reconstruction showed P1 Fabs also binding to a second site, at least 50 Å distant, at the icosahedral 2-fold axes. Further analysis showed that the overall population of 80S-P1 particles consisted of three kinds of capsids: those with P1 Fabs bound only at the propeller tips, P1 Fabs bound only at the 2-fold axes, or P1 Fabs simultaneously bound at both positions. Our results indicate that, in 80S particles, a significant fraction of VP1 can deviate from icosahedral symmetry. Hence, this portion of VP1 does not change conformation synchronously when switching from the 135S state. These conclusions are compatible with previous observations of multiple conformations of the 80S state and suggest that movement of the amino terminus of VP1 has a role in uncoating. Similar deviations from icosahedral symmetry may be biologically significant during other viral transitions. PMID:21775460

Reconstruction of phase maps from the configuration of phase singularities in two-dimensional manifolds.

PubMed

Herlin, Antoine; Jacquemet, Vincent

2012-05-01

Phase singularity analysis provides a quantitative description of spiral wave patterns observed in chemical or biological excitable media. The configuration of phase singularities (locations and directions of rotation) is easily derived from phase maps in two-dimensional manifolds. The question arises whether one can construct a phase map with a given configuration of phase singularities. The existence of such a phase map is guaranteed provided that the phase singularity configuration satisfies a certain constraint associated with the topology of the supporting medium. This paper presents a constructive mathematical approach to numerically solve this problem in the plane and on the sphere as well as in more general geometries relevant to atrial anatomy including holes and a septal wall. This tool can notably be used to create initial conditions with a controllable spiral wave configuration for cardiac propagation models and thus help in the design of computer experiments in atrial electrophysiology.

Retroreflective Phase Retardation Prisms.

DTIC Science & Technology

1981-06-01

resonant cavity of a 1.064 Mm laser. This report shows that it is possible to coat the reflecting surfaces of a porro prism so that incident plane...with controlled phase retardation can be made by coating each reflecting surface of a porro prism with a single dielectric film. The amount of phase...of angle of incidence (n, < n2) S. Phase change on reflection as a function of angle of incidence (n" n ) [RL-0202-’R 6. Porro prism 7. Phase change

A positivity preserving and conservative variational scheme for phase-field modeling of two-phase flows

NASA Astrophysics Data System (ADS)

Joshi, Vaibhav; Jaiman, Rajeev K.

2018-05-01

We present a positivity preserving variational scheme for the phase-field modeling of incompressible two-phase flows with high density ratio. The variational finite element technique relies on the Allen-Cahn phase-field equation for capturing the phase interface on a fixed Eulerian mesh with mass conservative and energy-stable discretization. The mass conservation is achieved by enforcing a Lagrange multiplier which has both temporal and spatial dependence on the underlying solution of the phase-field equation. To make the scheme energy-stable in a variational sense, we discretize the spatial part of the Lagrange multiplier in the phase-field equation by the mid-point approximation. The proposed variational technique is designed to reduce the spurious and unphysical oscillations in the solution while maintaining the second-order accuracy of both spatial and temporal discretizations. We integrate the Allen-Cahn phase-field equation with the incompressible Navier-Stokes equations for modeling a broad range of two-phase flow and fluid-fluid interface problems. The coupling of the implicit discretizations corresponding to the phase-field and the incompressible flow equations is achieved via nonlinear partitioned iterative procedure. Comparison of results between the standard linear stabilized finite element method and the present variational formulation shows a remarkable reduction of oscillations in the solution while retaining the boundedness of the phase-indicator field. We perform a standalone test to verify the accuracy and stability of the Allen-Cahn two-phase solver. We examine the convergence and accuracy properties of the coupled phase-field solver through the standard benchmarks of the Laplace-Young law and a sloshing tank problem. Two- and three-dimensional dam break problems are simulated to assess the capability of the phase-field solver for complex air-water interfaces involving topological changes on unstructured meshes. Finally, we demonstrate the phase

Durability of lightweight concrete : Phase II : wetting and drying tests, Phase III : freezing and thawing tests.

DOT National Transportation Integrated Search

1966-12-01

This report describes a laboratory research program on the durability of lightweight concrete. Two phases of a three phase study are covered by this report, while the remaining phase is still under study. The two phases being reported are Phase II - ...

DAMA/LIBRA-phase1 results and perspectives of the phase2

NASA Astrophysics Data System (ADS)

Bernabei, R.; Belli, P.; Cappella, F.; Caracciolo, V.; Cerulli, R.; Dai, C. J.; d'Angelo, A.; d'Angelo, S.; Di Marco, A.; He, H. L.; Incicchitti, A.; Kuang, H. H.; Ma, X. H.; Montecchia, F.; Sheng, X. D.; Wang, R. G.; Ye, Z. P.

2016-07-01

The DAMA/LIBRA experiment (˜ 250 kg of highly radio-pure NaI(Tl)) is running deep underground at the Gran Sasso National Laboratory (LNGS) of the I.N.F.N. Here we briefly recall the results obtained in its first phase of measurements (DAMA/LIBRA-phase1; total exposure: 1.04 ton × yr). DAMA/LIBRA-phase1 and the former DAMA/NaI (cumulative exposure: 1.33 ton × yr) give evidence at 9.3 σ C.L. for the presence of DM particles in the galactic halo by exploiting the model-independent DM annual modulation signature. No systematic or side reaction able to mimic the exploited DM signature has been found or suggested by anyone over more than a decade. At present DAMA/LIBRA-phase2 is running with increased sensitivity.

Phase gradient algorithm based on co-axis two-step phase-shifting interferometry and its application

NASA Astrophysics Data System (ADS)

Wang, Yawei; Zhu, Qiong; Xu, Yuanyuan; Xin, Zhiduo; Liu, Jingye

2017-12-01

A phase gradient method based on co-axis two-step phase-shifting interferometry, is used to reveal the detailed information of a specimen. In this method, the phase gradient distribution can only be obtained by calculating both the first-order derivative and the radial Hilbert transformation of the intensity difference between two phase-shifted interferograms. The feasibility and accuracy of this method were fully verified by the simulation results for a polystyrene sphere and a red blood cell. The empirical results demonstrated that phase gradient is sensitive to changes in the refractive index and morphology. Because phase retrieval and tedious phase unwrapping are not required, the calculation speed is faster. In addition, co-axis interferometry has high spatial resolution.

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

Local order and crystallization of dense polydisperse hard spheres

NASA Astrophysics Data System (ADS)

Coslovich, Daniele; Ozawa, Misaki; Berthier, Ludovic

2018-04-01

Computer simulations give precious insight into the microscopic behavior of supercooled liquids and glasses, but their typical time scales are orders of magnitude shorter than the experimentally relevant ones. We recently closed this gap for a class of models of size polydisperse fluids, which we successfully equilibrate beyond laboratory time scales by means of the swap Monte Carlo algorithm. In this contribution, we study the interplay between compositional and geometric local orders in a model of polydisperse hard spheres equilibrated with this algorithm. Local compositional order has a weak state dependence, while local geometric order associated to icosahedral arrangements grows more markedly but only at very high density. We quantify the correlation lengths and the degree of sphericity associated to icosahedral structures and compare these results to those for the Wahnström Lennard-Jones mixture. Finally, we analyze the structure of very dense samples that partially crystallized following a pattern incompatible with conventional fractionation scenarios. The crystal structure has the symmetry of aluminum diboride and involves a subset of small and large particles with size ratio approximately equal to 0.5.

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.

Sequence and structural characterization of great salt lake bacteriophage CW02, a member of the T7-like supergroup.

PubMed

Shen, Peter S; Domek, Matthew J; Sanz-García, Eduardo; Makaju, Aman; Taylor, Ryan M; Hoggan, Ryan; Culumber, Michele D; Oberg, Craig J; Breakwell, Donald P; Prince, John T; Belnap, David M

2012-08-01

Halophage CW02 infects a Salinivibrio costicola-like bacterium, SA50, isolated from the Great Salt Lake. Following isolation, cultivation, and purification, CW02 was characterized by DNA sequencing, mass spectrometry, and electron microscopy. A conserved module of structural genes places CW02 in the T7 supergroup, members of which are found in diverse aquatic environments, including marine and freshwater ecosystems. CW02 has morphological similarities to viruses of the Podoviridae family. The structure of CW02, solved by cryogenic electron microscopy and three-dimensional reconstruction, enabled the fitting of a portion of the bacteriophage HK97 capsid protein into CW02 capsid density, thereby providing additional evidence that capsid proteins of tailed double-stranded DNA phages have a conserved fold. The CW02 capsid consists of bacteriophage lambda gpD-like densities that likely contribute to particle stability. Turret-like densities were found on icosahedral vertices and may represent a unique adaptation similar to what has been seen in other extremophilic viruses that infect archaea, such as Sulfolobus turreted icosahedral virus and halophage SH1.

The microviridae: Diversity, assembly, and experimental evolution.

PubMed

Doore, Sarah M; Fane, Bentley A

2016-04-01

The Microviridae, comprised of ssDNA, icosahedral bacteriophages, are a model system for studying morphogenesis and the evolution of assembly. Historically limited to the φX174-like viruses, recent results demonstrate that this richly diverse family is broadly divided into two groups. The defining feature appears to be whether one or two scaffolding proteins are required for assembly. The single-scaffolding systems contain an internal scaffolding protein, similar to many dsDNA viruses, and have a more complex coat protein fold. The two-scaffolding protein systems (φX174-like) encode an internal and external species, as well as an additional structural protein: a spike on the icosahedral vertices. Here, we discuss recent in silico and in vivo evolutionary analyses conducted with chimeric viruses and/or chimeric proteins. The results suggest 1) how double scaffolding systems can evolve into single and triple scaffolding systems; and 2) how assembly is the critical factor governing adaptation and the maintenance of species boundaries. Copyright © 2016 Elsevier Inc. All rights reserved.

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

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

Zhang, Pei; Maldonis, Jason J.; Besser, M. F.

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

Shape-dependent surface magnetism of Co-Pt and Fe-Pt nanoparticles from first principles

NASA Astrophysics Data System (ADS)

Liu, Zhenyu; Wang, Guofeng

2017-12-01

In this paper, we have performed the first-principles density functional theory calculations to predict the magnetic properties of the CoPt and FePt nanoparticles in cuboctahedral, decahedral, and icosahedral shapes. The modeled alloy nanoparticles have a diameter of 1.1 nm and consist of 31 5 d Pt atoms and 24 3 d Co (or Fe) atoms. For both CoPt and FePt, we found that the decahedral nanoparticles had appreciably lower surface magnetic moments than the cuboctahedral and icosahedral nanoparticles. Our analysis indicated that this reduction in the surface magnetism was related to a large contraction of atomic spacing and high local Co (or Fe) concentration in the surface of the decahedral nanoparticles. More interestingly, we predicted that the CoPt and FePt cuboctahedral nanoparticles exhibited dramatically different surface spin structures when noncollinear magnetism was taken into account. Our calculation results revealed that surface anisotropy energy decided the fashion of surface spin canting in the CoPt and FePt nanoparticles, confirming previous predictions from atomistic Monte Carlo simulations.

The quantum structure of anionic hydrogen clusters

NASA Astrophysics Data System (ADS)

Calvo, F.; Yurtsever, E.

2018-03-01

A flexible and polarizable interatomic potential has been developed to model hydrogen clusters interacting with one hydrogen anion, (H2)nH-, in a broad range of sizes n = 1-54 and parametrized against coupled cluster quantum chemical calculations. Using path-integral molecular dynamics simulations at 1 K initiated from the putative classical global minima, the equilibrium structures are found to generally rely on icosahedral shells with the hydrogen molecules pointing toward the anion, producing geometric magic numbers at sizes n = 12, 32, and 44 that are in agreement with recent mass spectrometry measurements. The energetic stability of the clusters is also connected with the extent of vibrational delocalization, measured here by the fluctuations among inherent structures hidden in the vibrational wave function. As the clusters grow, the outer molecules become increasingly free to rotate, and strong finite size effects are also found between magic numbers, associated with more prominent vibrational delocalization. The effective icosahedral structure of the 44-molecule cluster is found to originate from quantum nuclear effects as well, the classical structure showing no particular symmetry.

Retention properties of novel beta-CD bonded stationary phases in reversed-phase HPLC mode.

PubMed

Zhao, Yanyan; Guo, Zhimou; Zhang, Yongping; Xue, Xingya; Xu, Qing; Li, Xiuling; Liang, Xinmiao; Zhang, Yukui

2009-05-15

With the given special structures, the CD bonded stationary phases are expected to have complementary retention properties with conventional C18 stationary phase, which will be helpful to enhance the polar selectivity in RP mode separation. In this work, two beta-cyclodextrin (beta-CD) bonded stationary phases for reversed-phase HPLC, including 1, 12-dodecyldiol linked beta-CD stationary phase (CD1) and olio (ethylene glycol) (OEG) linked beta-CD stationary phase (CD2), have been synthesized via click chemistry. The resulting materials were characterized with FT-IR and elemental analysis, which proved the successful immobilization of ligands. The similarities and differences in retention characteristics between the CD and C18 stationary phases have been elucidated by using comparative linear solvation energy relationships (LSERs). The force related to solute McGowan volume has no significant difference, while the hydrogen bonding and dipolar interactions between solutes and CD stationary phases are stronger than between solutes and C18, which is attributed to the special structures (CD and triazole groups) of CD stationary phases. Chemical origins are interpreted by comparison between CD1 and CD2. Similar dispersive interactions of CD1 and CD2 are attributed to their similar length of spacer arms. CD2 which contains OEG spacer arm has relative weaker HBD acidity but stronger HBA basicity. CD stationary phases display no serious different methylene selectivity and higher polar selectivity than in the case of C18. Higher acid selectivity and lower basic selectivity are observed on CD2 than on CD1. Distinctive retention properties and good complementary separation selectivity to C18 make the novel CD bonded stationary phases available for more application in RPLC.

Liquid-phase and solid-phase microwave irradiations for reduction of graphite oxide

NASA Astrophysics Data System (ADS)

Zhao, Na; Wen, Chen-Yu; Zhang, David Wei; Wu, Dong-Ping; Zhang, Zhi-Bin; Zhang, Shi-Li

2014-12-01

In this paper, two microwave irradiation methods: (i) liquid-phase microwave irradiation (MWI) reduction of graphite oxide suspension dissolved in de-ionized water and N, N-dimethylformamide, respectively, and (ii) solid-phase MWI reduction of graphite oxide powder have been successfully carried out to reduce graphite oxide. The reduced graphene oxide products are thoroughly characterized by scanning electron microscopy, atomic force microscopy, X-ray photoelectron spectroscopy, Fourier transform infrared spectral analysis, Raman spectroscopy, UV-Vis absorption spectral analysis, and four-point probe conductivity measurements. The results show that both methods can efficiently remove the oxygen-containing functional groups attached to the graphite layers, though the solid-phase MWI reduction method can obtain far more efficiently a higher quality-reduced graphene oxide with fewer defects. The I(D)/I(G) ratio of the solid-phase MWI sample is as low as 0.46, which is only half of that of the liquid-phase MWI samples. The electrical conductivity of the reduced graphene oxide by the solid method reaches 747.9 S/m, which is about 25 times higher than that made by the liquid-phase method.

Quantum phase transition from mixed atom-molecule phase to pure molecule phase: Characteristic scaling laws and Berry-curvature signature

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

Li Shengchang; Graduate School, China Academy of Engineering Physics, Beijing 100088; Fu Libin

2011-08-15

We investigate the quantum phase transition in an ultracold atom-molecule conversion system. It is found that the system undergoes a phase transition from a mixed atom-molecule phase to a pure molecule phase when the energy bias exceeds a critical value. By constructing a coherent state as variational state, we get a good approximation of the quantum ground state of the system. Using this variational state, we deduce the critical point analytically. We then discuss the scaling laws characterizing the transition and obtain the corresponding critical exponents. Furthermore, the Berry curvature signature of the transition is studied. In particular, we findmore » that the derivatives of the Berry curvature with respect to total particle number intersect at the critical point. The underlying mechanism of this finding is discussed as well.« less

Digital Receiver Phase Meter

NASA Technical Reports Server (NTRS)

Marcin, Martin; Abramovici, Alexander

2008-01-01

The software of a commercially available digital radio receiver has been modified to make the receiver function as a two-channel low-noise phase meter. This phase meter is a prototype in the continuing development of a phase meter for a system in which radiofrequency (RF) signals in the two channels would be outputs of a spaceborne heterodyne laser interferometer for detecting gravitational waves. The frequencies of the signals could include a common Doppler-shift component of as much as 15 MHz. The phase meter is required to measure the relative phases of the signals in the two channels at a sampling rate of 10 Hz at a root power spectral density <5 microcycle/(Hz)1/2 and to be capable of determining the power spectral density of the phase difference over the frequency range from 1 mHz to 1 Hz. Such a phase meter could also be used on Earth to perform similar measurements in laser metrology of moving bodies. To illustrate part of the principle of operation of the phase meter, the figure includes a simplified block diagram of a basic singlechannel digital receiver. The input RF signal is first fed to the input terminal of an analog-to-digital converter (ADC). To prevent aliasing errors in the ADC, the sampling rate must be at least twice the input signal frequency. The sampling rate of the ADC is governed by a sampling clock, which also drives a digital local oscillator (DLO), which is a direct digital frequency synthesizer. The DLO produces samples of sine and cosine signals at a programmed tuning frequency. The sine and cosine samples are mixed with (that is, multiplied by) the samples from the ADC, then low-pass filtered to obtain in-phase (I) and quadrature (Q) signal components. A digital signal processor (DSP) computes the ratio between the Q and I components, computes the phase of the RF signal (relative to that of the DLO signal) as the arctangent of this ratio, and then averages successive such phase values over a time interval specified by the user.

Glassy phases and driven response of the phase-field-crystal model with random pinning.

PubMed

Granato, E; Ramos, J A P; Achim, C V; Lehikoinen, J; Ying, S C; Ala-Nissila, T; Elder, K R

2011-09-01

We study the structural correlations and the nonlinear response to a driving force of a two-dimensional phase-field-crystal model with random pinning. The model provides an effective continuous description of lattice systems in the presence of disordered external pinning centers, allowing for both elastic and plastic deformations. We find that the phase-field crystal with disorder assumes an amorphous glassy ground state, with only short-ranged positional and orientational correlations, even in the limit of weak disorder. Under increasing driving force, the pinned amorphous-glass phase evolves into a moving plastic-flow phase and then, finally, a moving smectic phase. The transverse response of the moving smectic phase shows a vanishing transverse critical force for increasing system sizes.

Phase-factor-dependent symmetries and quantum phases in a three-level cavity QED system.

PubMed

Fan, Jingtao; Yu, Lixian; Chen, Gang; Jia, Suotang

2016-05-03

Unlike conventional two-level particles, three-level particles may support some unitary-invariant phase factors when they interact coherently with a single-mode quantized light field. To gain a better understanding of light-matter interaction, it is thus necessary to explore the phase-factor-dependent physics in such a system. In this report, we consider the collective interaction between degenerate V-type three-level particles and a single-mode quantized light field, whose different components are labeled by different phase factors. We mainly establish an important relation between the phase factors and the symmetry or symmetry-broken physics. Specifically, we find that the phase factors affect dramatically the system symmetry. When these symmetries are breaking separately, rich quantum phases emerge. Finally, we propose a possible scheme to experimentally probe the predicted physics of our model. Our work provides a way to explore phase-factor-induced nontrivial physics by introducing additional particle levels.

Phase noise mitigation of QPSK signal utilizing phase-locked multiplexing of signal harmonics and amplitude saturation.

PubMed

Mohajerin-Ariaei, Amirhossein; Ziyadi, Morteza; Chitgarha, Mohammad Reza; Almaiman, Ahmed; Cao, Yinwen; Shamee, Bishara; Yang, Jeng-Yuan; Akasaka, Youichi; Sekiya, Motoyoshi; Takasaka, Shigehiro; Sugizaki, Ryuichi; Touch, Joseph D; Tur, Moshe; Langrock, Carsten; Fejer, Martin M; Willner, Alan E

2015-07-15

We demonstrate an all-optical phase noise mitigation scheme based on the generation, delay, and coherent summation of higher order signal harmonics. The signal, its third-order harmonic, and their corresponding delayed variant conjugates create a staircase phase-transfer function that quantizes the phase of quadrature-phase-shift-keying (QPSK) signal to mitigate phase noise. The signal and the harmonics are automatically phase-locked multiplexed, avoiding the need for phase-based feedback loop and injection locking to maintain coherency. The residual phase noise converts to amplitude noise in the quantizer stage, which is suppressed by parametric amplification in the saturation regime. Phase noise reduction of ∼40% and OSNR-gain of ∼3  dB at BER 10(-3) are experimentally demonstrated for 20- and 30-Gbaud QPSK input signals.

Progress in low-resolution ab initio phasing with CrowdPhase

DOE PAGES

Jorda, Julien; Sawaya, Michael R.; Yeates, Todd O.

2016-03-01

Ab initio phasing by direct computational methods in low-resolution X-ray crystallography is a long-standing challenge. A common approach is to consider it as two subproblems: sampling of phase space and identification of the correct solution. While the former is amenable to a myriad of search algorithms, devising a reliable target function for the latter problem remains an open question. Here, recent developments in CrowdPhase, a collaborative online game powered by a genetic algorithm that evolves an initial population of individuals with random genetic make-up ( i.e. random phases) each expressing a phenotype in the form of an electron-density map, aremore » presented. Success relies on the ability of human players to visually evaluate the quality of these maps and, following a Darwinian survival-of-the-fittest concept, direct the search towards optimal solutions. While an initial study demonstrated the feasibility of the approach, some important crystallographic issues were overlooked for the sake of simplicity. To address these, the new CrowdPhase includes consideration of space-group symmetry, a method for handling missing amplitudes, the use of a map correlation coefficient as a quality metric and a solvent-flattening step. Lastly, performances of this installment are discussed for two low-resolution test cases based on bona fide diffraction data.« less

Progress in low-resolution ab initio phasing with CrowdPhase

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

Jorda, Julien; Sawaya, Michael R.; Yeates, Todd O.

Ab initio phasing by direct computational methods in low-resolution X-ray crystallography is a long-standing challenge. A common approach is to consider it as two subproblems: sampling of phase space and identification of the correct solution. While the former is amenable to a myriad of search algorithms, devising a reliable target function for the latter problem remains an open question. Here, recent developments in CrowdPhase, a collaborative online game powered by a genetic algorithm that evolves an initial population of individuals with random genetic make-up ( i.e. random phases) each expressing a phenotype in the form of an electron-density map, aremore » presented. Success relies on the ability of human players to visually evaluate the quality of these maps and, following a Darwinian survival-of-the-fittest concept, direct the search towards optimal solutions. While an initial study demonstrated the feasibility of the approach, some important crystallographic issues were overlooked for the sake of simplicity. To address these, the new CrowdPhase includes consideration of space-group symmetry, a method for handling missing amplitudes, the use of a map correlation coefficient as a quality metric and a solvent-flattening step. Lastly, performances of this installment are discussed for two low-resolution test cases based on bona fide diffraction data.« less

Circular carrier squeezing interferometry: Suppressing phase shift error in simultaneous phase-shifting point-diffraction interferometer

NASA Astrophysics Data System (ADS)

Zheng, Donghui; Chen, Lei; Li, Jinpeng; Sun, Qinyuan; Zhu, Wenhua; Anderson, James; Zhao, Jian; Schülzgen, Axel

2018-03-01

Circular carrier squeezing interferometry (CCSI) is proposed and applied to suppress phase shift error in simultaneous phase-shifting point-diffraction interferometer (SPSPDI). By introducing a defocus, four phase-shifting point-diffraction interferograms with circular carrier are acquired, and then converted into linear carrier interferograms by a coordinate transform. Rearranging the transformed interferograms into a spatial-temporal fringe (STF), so the error lobe will be separated from the phase lobe in the Fourier spectrum of the STF, and filtering the phase lobe to calculate the extended phase, when combined with the corresponding inverse coordinate transform, exactly retrieves the initial phase. Both simulations and experiments validate the ability of CCSI to suppress the ripple error generated by the phase shift error. Compared with carrier squeezing interferometry (CSI), CCSI is effective on some occasions in which a linear carrier is difficult to introduce, and with the added benefit of eliminating retrace error.

Comparison of electrical and optical characteristics in gas-phase and gas-liquid phase discharges

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

Qazi, H. I. A.; Li, He-Ping, E-mail: liheping@tsinghua.edu.cn; Zhang, Xiao-Fei

This paper presents an AC-excited argon discharge generated using a gas-liquid (two-phase) hybrid plasma reactor, which mainly consists of a powered needle electrode enclosed in a conical quartz tube and grounded deionized water electrode. The discharges in the gas-phase, as well as in the two-phase, exhibit two discharge modes, i.e., the low current glow-like diffuse mode and the high current streamer-like constrict mode, with a mode transition, which exhibits a negative resistance of the discharges. The optical emission spectral analysis shows that the stronger diffusion of the water vapor into the discharge region in the two-phase discharges boosts up themore » generation of OH (A–X) radicals, and consequently, leads to a higher rotational temperature in the water-phase plasma plume than that of the gas-phase discharges. Both the increase of the power input and the decrease of the argon flow rate result in the increase of the rotational temperature in the plasma plume of the water-phase discharge. The stable two-phase discharges with a long plasma plume in the water-phase under a low power input and gas flow rate may show a promising prospect for the degradation of organic pollutants, e.g., printing and dyeing wastewater, in the field of environmental protection.« less

Speckle phase near random surfaces

NASA Astrophysics Data System (ADS)

Chen, Xiaoyi; Cheng, Chuanfu; An, Guoqiang; Han, Yujing; Rong, Zhenyu; Zhang, Li; Zhang, Meina

2018-03-01

Based on Kirchhoff approximation theory, the speckle phase near random surfaces with different roughness is numerically simulated. As expected, the properties of the speckle phase near the random surfaces are different from that in far field. In addition, as scattering distances and roughness increase, the average fluctuations of the speckle phase become larger. Unusually, the speckle phase is somewhat similar to the corresponding surface topography. We have performed experiments to verify the theoretical simulation results. Studies in this paper contribute to understanding the evolution of speckle phase near a random surface and provide a possible way to identify a random surface structure based on its speckle phase.

Atomic disorder, phase transformation, and phase restoration in Co3Sn2

NASA Astrophysics Data System (ADS)

di, L. M.; Zhou, G. F.; Bakker, H.

1993-03-01

The behavior of the intermetallic compound Co3Sn2 upon ball milling was studied by x-ray diffraction, high-field-magnetization measurements, and subsequently by differential scanning calorimetry. It turns out that starting from the stoichiometric-ordered compound, mechanical attrition of Co3Sn2 generates atomic disorder in the early stage of milling. The nonequilibrium phase transformation from the low-temperature phase with orthorhombic structure to the high-temperature phase with a hexagonal structure was observed in the intermediate stage of milling. It was accompanied by the creation of increasing atomic disorder. After long milling periods, the phase transformation was completed and the atomic disordering became saturated. All the physical parameters measured in the present work remained constant during this period. The above outcome was confirmed by comparison with the high-temperature phase thermally induced by quenching. The good agreement of the results obtained by different techniques proves that the ball milling generates well-defined metastable states in Co3Sn2.

Unconventional transformation of spin Dirac phase across a topological quantum phase transition

PubMed Central

Xu, Su-Yang; Neupane, Madhab; Belopolski, Ilya; Liu, Chang; Alidoust, Nasser; Bian, Guang; Jia, Shuang; Landolt, Gabriel; Slomski, Batosz; Dil, J. Hugo; Shibayev, Pavel P.; Basak, Susmita; Chang, Tay-Rong; Jeng, Horng-Tay; Cava, Robert J.; Lin, Hsin; Bansil, Arun; Hasan, M. Zahid

2015-01-01

The topology of a topological material can be encoded in its surface states. These surface states can only be removed by a bulk topological quantum phase transition into a trivial phase. Here we use photoemission spectroscopy to image the formation of protected surface states in a topological insulator as we chemically tune the system through a topological transition. Surprisingly, we discover an exotic spin-momentum locked, gapped surface state in the trivial phase that shares many important properties with the actual topological surface state in anticipation of the change of topology. Using a spin-resolved measurement, we show that apart from a surface bandgap these states develop spin textures similar to the topological surface states well before the transition. Our results offer a general paradigm for understanding how surface states in topological phases arise from a quantum phase transition and are suggestive for the future realization of Weyl arcs, condensed matter supersymmetry and other fascinating phenomena in the vicinity of a quantum criticality. PMID:25882717

Demonstration of an optical phased array using electro-optic polymer phase shifters

NASA Astrophysics Data System (ADS)

Hirano, Yoshikuni; Motoyama, Yasushi; Tanaka, Katsu; Machida, Kenji; Yamada, Toshiki; Otomo, Akira; Kikuchi, Hiroshi

2018-03-01

We have been investigating an optical phased array (OPA) using electro-optic (EO) polymers in phase shifters to achieve ultrafast optical beam steering. In this paper, we describe the basic structures of the OPA using EO polymer phase shifters and show the beam steering capability of the OPA. The designed OPA has a multimode interference (MMI) beam splitter and 8-channel polymer waveguides with EO polymer phase shifters. We compare 1 × 8 MMI and cascaded 1 × 2 MMI beam splitters numerically and experimentally, and then obtain uniform intensity outputs from the 1 × 8 beam splitter. We fabricate the EO polymer OPA with a 1 × 8 MMI beam splitter to prevent intensity dispersion due to radiation loss in bending waveguides. We also evaluate the optical beam steering capability of the fabricated OPA and found a 2.7° deflection of far-field patterns when applying a voltage difference of 25 V in adjacent phase shifters.

Electron microscope phase enhancement

DOEpatents

Jin, Jian; Glaeser, Robert M.

2010-06-15

A microfabricated electron phase shift element is used for modifying the phase characteristics of an electron beam passing though its center aperture, while not affecting the more divergent portion of an incident beam to selectively provide a ninety-degree phase shift to the unscattered beam in the back focal plan of the objective lens, in order to realize Zernike-type, in-focus phase contrast in an electron microscope. One application of the element is to increase the contrast of an electron microscope for viewing weakly scattering samples while in focus. Typical weakly scattering samples include biological samples such as macromolecules, or perhaps cells. Preliminary experimental images demonstrate that these devices do apply a ninety degree phase shift as expected. Electrostatic calculations have been used to determine that fringing fields in the region of the scattered electron beams will cause a negligible phase shift as long as the ratio of electrode length to the transverse feature-size aperture is about 5:1. Calculations are underway to determine the feasibility of aspect smaller aspect ratios of about 3:1 and about 2:1.

Quantitative analysis of aqueous phase composition of model dentin adhesives experiencing phase separation

PubMed Central

Ye, Qiang; Park, Jonggu; Parthasarathy, Ranganathan; Pamatmat, Francis; Misra, Anil; Laurence, Jennifer S.; Marangos, Orestes; Spencer, Paulette

2013-01-01

There have been reports of the sensitivity of our current dentin adhesives to excess moisture, for example, water-blisters in adhesives placed on over-wet surfaces, and phase separation with concomitant limited infiltration of the critical dimethacrylate component into the demineralized dentin matrix. To determine quantitatively the hydrophobic/hydrophilic components in the aqueous phase when exposed to over-wet environments, model adhesives were mixed with 16, 33, and 50 wt % water to yield well-separated phases. Based upon high-performance liquid chromatography coupled with photodiode array detection, it was found that the amounts of hydrophobic BisGMA and hydrophobic initiators are less than 0.1 wt % in the aqueous phase. The amount of these compounds decreased with an increase in the initial water content. The major components of the aqueous phase were hydroxyethyl methacrylate (HEMA) and water, and the HEMA content ranged from 18.3 to 14.7 wt %. Different BisGMA homologues and the relative content of these homologues in the aqueous phase have been identified; however, the amount of crosslinkable BisGMA was minimal and, thus, could not help in the formation of a crosslinked polymer network in the aqueous phase. Without the protection afforded by a strong crosslinked network, the poorly photoreactive compounds of this aqueous phase could be leached easily. These results suggest that adhesive formulations should be designed to include hydrophilic multimethacrylate monomers and water compatible initiators. PMID:22331596

Effect of Phase Contiguity and Morphology on the Evolution of Deformation Texture in Two-Phase Alloys

NASA Astrophysics Data System (ADS)

Gurao, N. P.; Suwas, Satyam

2017-02-01

Deformation texture evolution in two-phase xFe- yNi-(100- x- y)Cr model alloys and Ti-13Nb-13Zr alloy was studied during rolling to develop an understanding of micro-mechanisms of deformation in industrially relevant two-phase FCC-BCC steels and HCP-BCC titanium alloys, respectively. It was found that volume fraction and contiguity of phases lead to systematic changes in texture, while morphology affects the strength of texture. There was a characteristic change in texture from typical Brass-type to a weaker Copper-type texture in the austenite phase accompanied with a change from alpha fiber to gamma fiber in ferrite phase for Fe-Ni-Cr alloys with increase in fraction of harder ferrite phase. However, similar characteristic texture evolution was noted in both α and β phase irrespective of the different initial morphologies in Ti-13Nb-13Zr alloy. Viscoplastic self-consistent simulations with two-phase scheme were able to qualitatively predict texture evolution in individual phases. It is proposed that the transition from iso-strain-type behavior for equiaxed microstructure at low strain to iso-stress-type behavior at higher strain is aided by the presence of higher volume fraction of the second phase and increasing aspect ratio of individual phases in two-phase alloys.

Scale model experimentation: using terahertz pulses to study light scattering.

PubMed

Pearce, Jeremy; Mittleman, Daniel M

2002-11-07

We describe a new class of experiments involving applications of terahertz radiation to problems in biomedical imaging and diagnosis. These involve scale model measurements, in which information can be gained about pulse propagation in scattering media. Because of the scale invariance of Maxwell's equations, these experiments can provide insight for researchers working on similar problems at shorter wavelengths. As a first demonstration, we measure the propagation constants for pulses in a dense collection of spherical scatterers, and compare with the predictions of the quasi-crystalline approximation. Even though the fractional volume in our measurements exceeds the limit of validity of this model, we find that it still predicts certain features of the propagation with reasonable accuracy.

Collective modes in two-dimensional one-component-plasma with logarithmic interaction

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

Khrapak, Sergey A.; Forschungsgruppe Komplexe Plasmen, Deutsches Zentrum für Luft- und Raumfahrt, Oberpfaffenhofen; Joint Institute for High Temperatures, Russian Academy of Sciences, Moscow

The collective modes of a familiar two-dimensional one-component-plasma with the repulsive logarithmic interaction between the particles are analysed using the quasi-crystalline approximation (QCA) combined with the molecular dynamic simulation of the equilibrium structural properties. It is found that the dispersion curves in the strongly coupled regime are virtually independent of the coupling strength. Arguments based on the excluded volume consideration for the radial distribution function allow us to derive very simple expressions for the dispersion relations, which show excellent agreement with the exact QCA dispersion over the entire domain of wavelengths. Comparison with the results of the conventional fluid analysismore » is performed, and the difference is explained.« less

Topological phases reviewed: The Aharonov Bohm, Aharonov Casher, and He McKellar Wilkens phases

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

McKellar, B. H. J.; He, X-G.; Klein, A. G.

2014-03-05

There are three topological phases related to electromagnetic interactions in quantum mechanics: 1. The Aharonov Bohm phase acquired when a charged particle encircles a magnetic field but travels through a field free region. 2. The Aharonov Casher phase acquired when a magnetic dipole encircles electric charges but travels through a charge free region. 3. The He McKellar Wilkens phase acquired when an electric dipole encircles magnetic charges but travels through a charge free region. We review the conditions under which these phases are indeed topological and their experimental realisation. Because the He McKellar Wilkens phase has been recently observed wemore » pay particular attention to how the basic concept of 'an electric dipole encircles magnetic charges' was realised experimentally, and discuss possible future experimental realisations.« less

Design principles for enhancing phase sensitivity and suppressing phase fluctuations simultaneously in biochemical oscillatory systems.

PubMed

Fei, Chenyi; Cao, Yuansheng; Ouyang, Qi; Tu, Yuhai

2018-04-12

Biological systems need to function accurately in the presence of strong noise and at the same time respond sensitively to subtle external cues. Here we study design principles in biochemical oscillatory circuits to achieve these two seemingly incompatible goals. We show that energy dissipation can enhance phase sensitivity linearly by driving the phase-amplitude coupling and increase timing accuracy by suppressing phase diffusion. Two general design principles in the key underlying reaction loop formed by two antiparallel pathways are found to optimize oscillation performance with a given energy budget: balancing the forward-to-backward flux ratio between the two pathways to reduce phase diffusion and maximizing the net flux of the phase-advancing pathway relative to that of the phase-retreating pathway to enhance phase sensitivity. Experimental evidences consistent with these design principles are found in the circadian clock of cyanobacteria. Future experiments to test the predicted dependence of phase sensitivity on energy dissipation are proposed.

Phase structure of one-dimensional interacting Floquet systems. II. Symmetry-broken phases

NASA Astrophysics Data System (ADS)

von Keyserlingk, C. W.; Sondhi, S. L.

2016-06-01

Recent work suggests that a sharp definition of "phase of matter" can be given for periodically driven "Floquet" quantum systems exhibiting many-body localization. In this work, we propose a classification of the phases of interacting Floquet localized systems with (completely) spontaneously broken symmetries; we focus on the one-dimensional case, but our results appear to generalize to higher dimensions. We find that the different Floquet phases correspond to elements of Z (G ) , the center of the symmetry group in question. In a previous paper [C. W. von Keyserlingk and S. L. Sondhi, preceding paper, Phys. Rev. B 93, 245145 (2016)], 10.1103/PhysRevB.93.245145, we offered a companion classification of unbroken, i.e., paramagnetic phases.

Quaternion-valued single-phase model for three-phase power system

NASA Astrophysics Data System (ADS)

Gou, Xiaoming; Liu, Zhiwen; Liu, Wei; Xu, Yougen; Wang, Jiabin

2018-03-01

In this work, a quaternion-valued model is proposed in lieu of the Clarke's α, β transformation to convert three-phase quantities to a hypercomplex single-phase signal. The concatenated signal can be used for harmonic distortion detection in three-phase power systems. In particular, the proposed model maps all the harmonic frequencies into frequencies in the quaternion domain, while the Clarke's transformation-based methods will fail to detect the zero sequence voltages. Based on the quaternion-valued model, the Fourier transform, the minimum variance distortionless response (MVDR) algorithm and the multiple signal classification (MUSIC) algorithm are presented as examples to detect harmonic distortion. Simulations are provided to demonstrate the potentials of this new modeling method.

Motionless phase stepping in X-ray phase contrast imaging with a compact source

PubMed Central

Miao, Houxun; Chen, Lei; Bennett, Eric E.; Adamo, Nick M.; Gomella, Andrew A.; DeLuca, Alexa M.; Patel, Ajay; Morgan, Nicole Y.; Wen, Han

2013-01-01

X-ray phase contrast imaging offers a way to visualize the internal structures of an object without the need to deposit significant radiation, and thereby alleviate the main concern in X-ray diagnostic imaging procedures today. Grating-based differential phase contrast imaging techniques are compatible with compact X-ray sources, which is a key requirement for the majority of clinical X-ray modalities. However, these methods are substantially limited by the need for mechanical phase stepping. We describe an electromagnetic phase-stepping method that eliminates mechanical motion, thus removing the constraints in speed, accuracy, and flexibility. The method is broadly applicable to both projection and tomography imaging modes. The transition from mechanical to electromagnetic scanning should greatly facilitate the translation of X-ray phase contrast techniques into mainstream applications. PMID:24218599

In-line phase shift tomosynthesis

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

Hammonds, Jeffrey C.; Price, Ronald R.; Pickens, David R.

2013-08-15

Purpose: The purpose of this work is to (1) demonstrate laboratory measurements of phase shift images derived from in-line phase-contrast radiographs using the attenuation-partition based algorithm (APBA) of Yan et al.[Opt. Express 18(15), 16074–16089 (2010)], (2) verify that the APBA reconstructed images obey the linearity principle, and (3) reconstruct tomosynthesis phase shift images from a collection of angularly sampled planar phase shift images.Methods: An unmodified, commercially available cabinet x-ray system (Faxitron LX-60) was used in this experiment. This system contains a tungsten anode x-ray tube with a nominal focal spot size of 10 μm. The digital detector uses CsI/CMOS withmore » a pixel size of 50 × 50 μm. The phantoms used consisted of one acrylic plate, two polystyrene plates, and a habanero pepper. Tomosynthesis images were reconstructed from 51 images acquired over a ±25° arc. All phase shift images were reconstructed using the APBA.Results: Image contrast derived from the planar phase shift image of an acrylic plate of uniform thickness exceeded the contrast of the traditional attenuation image by an approximate factor of two. Comparison of the planar phase shift images from a single, uniform thickness polystyrene plate with two polystyrene plates demonstrated an approximate linearity of the estimated phase shift with plate thickness (−1600 rad vs −2970 rad). Tomographic phase shift images of the habanero pepper exhibited acceptable spatial resolution and contrast comparable to the corresponding attenuation image.Conclusions: This work demonstrated the feasibility of laboratory-based phase shift tomosynthesis and suggests that phase shift imaging could potentially provide a new imaging biomarker. Further investigation will be needed to determine if phase shift contrast will be able to provide new tissue contrast information or improved clinical performance.« less

Phase-field modeling of diffusional phase behaviors of solid surfaces: A case study of phase-separating Li XFePO 4 electrode particles

DOE PAGES

Heo, Tae Wook; Chen, Long-Qing; Wood, Brandon C.

2015-04-08

In this paper, we present a comprehensive phase-field model for simulating diffusion-mediated kinetic phase behaviors near the surface of a solid particle. The model incorporates elastic inhomogeneity and anisotropy, diffusion mobility anisotropy, interfacial energy anisotropy, and Cahn–Hilliard diffusion kinetics. The free energy density function is formulated based on the regular solution model taking into account the possible solute-surface interaction near the surface. The coherency strain energy is computed using the Fourier-spectral iterative-perturbation method due to the strong elastic inhomogeneity with a zero surface traction boundary condition. Employing a phase-separating Li XFePO 4 electrode particle for Li-ion batteries as a modelmore » system, we perform parametric three-dimensional computer simulations. The model permits the observation of surface phase behaviors that are different from the bulk counterpart. For instance, it reproduces the theoretically well-established surface modes of spinodal decomposition of an unstable solid solution: the surface mode of coherent spinodal decomposition and the surface-directed spinodal decomposition mode. We systematically investigate the influences of major factors on the kinetic surface phase behaviors during the diffusional process. Finally, our simulation study provides insights for tailoring the internal phase microstructure of a particle by controlling the surface phase morphology.« less

Phase-sensitive flow cytometer

DOEpatents

Steinkamp, John A.

1993-01-01

A phase-sensitive flow cytometer (FCM) provides additional FCM capability to use the fluorescence lifetime of one or more fluorochromes bound to single cells to provide additional information regarding the cells. The resulting fluorescence emission can be resolved into individual fluorescence signals if two fluorochromes are present or can be converted directly to a decay lifetime from a single fluorochrome. The excitation light for the fluorochromes is modulated to produce an amplitude modulated fluorescence pulse as the fluorochrome is excited in the FCM. The modulation signal also forms a reference signal that is phase-shifted a selected amount for subsequent mixing with the output modulated fluorescence intensity signal in phase-sensitive detection circuitry. The output from the phase-sensitive circuitry is then an individual resolved fluorochrome signal or a single fluorochrome decay lifetime, depending on the applied phase shifts.

Phase-sensitive flow cytometer

DOEpatents

Steinkamp, J.A.

1993-12-14

A phase-sensitive flow cytometer (FCM) provides additional FCM capability to use the fluorescence lifetime of one or more fluorochromes bound to single cells to provide additional information regarding the cells. The resulting fluorescence emission can be resolved into individual fluorescence signals if two fluorochromes are present or can be converted directly to a decay lifetime from a single fluorochrome. The excitation light for the fluorochromes is modulated to produce an amplitude modulated fluorescence pulse as the fluorochrome is excited in the FCM. The modulation signal also forms a reference signal that is phase-shifted a selected amount for subsequent mixing with the output modulated fluorescence intensity signal in phase-sensitive detection circuitry. The output from the phase-sensitive circuitry is then an individual resolved fluorochrome signal or a single fluorochrome decay lifetime, depending on the applied phase shifts. 15 figures.

Wirelessly Networked Digital Phased Array: Analysis and Development of a Phase Synchronization Concept

DTIC Science & Technology

2007-09-01

NAVAL POSTGRADUATE SCHOOL MONTEREY, CALIFORNIA THESIS Approved for public release; distribution is unlimited WIRELESSLY NETWORKED...DIGITAL PHASED ARRAY: ANALYSIS AND DEVELOPMENT OF A PHASE SYNCHRONIZATION CONCEPT by Micael Grahn September 2007 Thesis Advisor...September 2007 3. REPORT TYPE AND DATES COVERED Master’s Thesis 4. TITLE AND SUBTITLE Wirelessly Networked Digital Phased Array: Analysis and

Nonuniform distribution of phase noise in distributed acoustic sensing based on phase-sensitive OTDR

NASA Astrophysics Data System (ADS)

Yu, Zhijie; Lu, Yang; Meng, Zhou

2017-10-01

A phase-sensitive optical time-domain reflectometry (∅-OTDR) implements distributed acoustic sensing (DAS) due to its ability for high sensitivity vibration measurement. Phase information of acoustic vibration events can be acquired by interrogation of the vibration-induced phase change between coherent Rayleigh scattering light from two points of the sensing fiber. And DAS can be realized when applying phase generated carrier (PGC) algorithm to the whole sensing fiber while the sensing fiber is transformed into a series of virtual sensing channels. Minimum detectable vibration of a ∅-OTDR is limited by phase noise level. In this paper, nonuniform distribution of phase noise of virtual sensing channels in a ∅-OTDR is investigated theoretically and experimentally. Correspondence between the intensity of Rayleigh scattering light and interference fading as well as polarization fading is analyzed considering inner interference of coherent Rayleigh light scattered from a multitude of scatters within pulse duration, and intensity noise related to the intensity of Rayleigh scattering light can be converted to phase noise while measuring vibration-induced phase change. Experiments are performed and the results confirm the predictions of the theoretical analysis. This study is essential for acquiring insight into nonuniformity of phase noise in DAS based on a ∅-OTDR, and would put forward some feasible methods to eliminate the effect of interference fading and polarization fading and optimize the minimum detectable vibration of a ∅-OTDR.

Phase Behavior of Neat Triblock Copolymers and Copolymer/Homopolymer Blends Near Network Phase Windows

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

M Tureau; L Rong; B Hsiao

The phase behavior of poly(isoprene-b-styrene-b-methyl methacrylate) (ISM) copolymers near the styrene-rich network phase window was examined through the use of neat triblock copolymers and copolymer/homopolymer blends. Both end-block and middle-block blending protocols were employed using poly(isoprene) (PI), poly(methyl methacrylate) (PMMA), and poly(styrene) (PS) homopolymers. Blended specimens exhibited phase transformations to well-ordered nanostructures (at homopolymer loadings up to 26 vol % of the total blend volume). Morphological consistency between neat and blended specimens was established at various locations in the ISM phase space. Copolymer/homopolymer blending permitted the refinement of lamellar, hexagonally packed cylinder, and disordered melt phase boundaries as well asmore » the identification of double gyroid (Q{sup 230}), alternating gyroid (Q{sup 214}), and orthorhombic (O{sup 70}) network regimes. Additionally, the experimental phase diagram exhibited similar trends to those found in a theoretical ABC triblock copolymer phase diagram with symmetric interactions and statistical segments lengths generated by Tyler et al.« less

Going through a quantum phase

NASA Technical Reports Server (NTRS)

Shapiro, Jeffrey H.

1992-01-01

Phase measurements on a single-mode radiation field are examined from a system-theoretic viewpoint. Quantum estimation theory is used to establish the primacy of the Susskind-Glogower (SG) phase operator; its phase eigenkets generate the probability operator measure (POM) for maximum likelihood phase estimation. A commuting observables description for the SG-POM on a signal x apparatus state space is derived. It is analogous to the signal-band x image-band formulation for optical heterodyne detection. Because heterodyning realizes the annihilation operator POM, this analogy may help realize the SG-POM. The wave function representation associated with the SG POM is then used to prove the duality between the phase measurement and the number operator measurement, from which a number-phase uncertainty principle is obtained, via Fourier theory, without recourse to linearization. Fourier theory is also employed to establish the principle of number-ket causality, leading to a Paley-Wiener condition that must be satisfied by the phase-measurement probability density function (PDF) for a single-mode field in an arbitrary quantum state. Finally, a two-mode phase measurement is shown to afford phase-conjugate quantum communication at zero error probability with finite average photon number. Application of this construct to interferometric precision measurements is briefly discussed.

Resolution Of Phase Ambiguities In QPSK

NASA Technical Reports Server (NTRS)

Nguyen, Tien M.

1992-01-01

Report discusses several techniques for resolution of phase ambiguities in detection and decoding of radio signals modulated by coherent quadrature phase-shift keying (QPSK) and offset QPSK (OQPSK). Eight ambiguities: four associated with phase of carrier signal in absence of ambiguity in direction of rotation of carrier phase, and another four associated with carrier phase in presence of phase-rotation ambiguity.

Demonstrating Phase Changes.

ERIC Educational Resources Information Center

Rohr, Walter

1995-01-01

Presents two experiments that demonstrate phase changes. The first experiment explores phase changes of carbon dioxide using powdered dry ice sealed in a piece of clear plastic tubing. The second experiment demonstrates an equilibrium process in which a crystal grows in equilibrium with its saturated solution. (PVD)

Role of phase synchronisation in turbulence

NASA Astrophysics Data System (ADS)

Moradi, Sara; Teaca, Bogdan; Anderson, Johan

2017-11-01

The role of the phase dynamics in turbulence is investigated. As a demonstration of the importance of the phase dynamics, a simplified system is used, namely the one-dimensional Burgers equation, which is evolved numerically. The system is forced via a known external force, with two components that are added into the evolution equations of the amplitudes and the phase of the Fourier modes, separately. In this way, we are able to control the impact of the force on the dynamics of the phases. In the absence of the direct forcing in the phase equation, it is observed that the phases are not stochastic as assumed in the Random Phase Approximation (RPA) models, and in contrast, the non-linear couplings result in intermittent locking of the phases to ± π/2. The impact of the force, applied purely on the phases, is to increase the occurrence of the phase locking events in which the phases of the modes in a wide k range are now locked to ± π/2, leading to a change in the dynamics of both phases and amplitudes, with a significant localization of the real space flow structures.

Phase contrast MR angiography techniques.

PubMed

Dumoulin, C L

1995-08-01

Phase contrast MR methods encode information from macroscopic motion into the phase of the MR signal. Phase contrast methods can be applied with small and large fields-of-view, can give quantitative measures of velocity, and provide excellent suppression of signals from stationary tissue. Unlike time-of-flight methods, phase contrast methods directly measure flow and thus are not hindered by the artifactual appearance of tissue having short T1. Phase contrast angiograms can be two-dimensional (thin slice or projectile), three-dimensional, and/or time resolved and have applications throughout the body.

Phased array ghost elimination.

PubMed

Kellman, Peter; McVeigh, Elliot R

2006-05-01

Parallel imaging may be applied to cancel ghosts caused by a variety of distortion mechanisms, including distortions such as off-resonance or local flow, which are space variant. Phased array combining coefficients may be calculated that null ghost artifacts at known locations based on a constrained optimization, which optimizes SNR subject to the nulling constraint. The resultant phased array ghost elimination (PAGE) technique is similar to the method known as sensitivity encoding (SENSE) used for accelerated imaging; however, in this formulation is applied to full field-of-view (FOV) images. The phased array method for ghost elimination may result in greater flexibility in designing acquisition strategies. For example, in multi-shot EPI applications ghosts are typically mitigated by the use of an interleaved phase encode acquisition order. An alternative strategy is to use a sequential, non-interleaved phase encode order and cancel the resultant ghosts using PAGE parallel imaging. Cancellation of ghosts by means of phased array processing makes sequential, non-interleaved phase encode acquisition order practical, and permits a reduction in repetition time, TR, by eliminating the need for echo-shifting. Sequential, non-interleaved phase encode order has benefits of reduced distortion due to off-resonance, in-plane flow and EPI delay misalignment. Furthermore, the use of EPI with PAGE has inherent fat-water separation and has been used to provide off-resonance correction using a technique referred to as lipid elimination with an echo-shifting N/2-ghost acquisition (LEENA), and may further generalized using the multi-point Dixon method. Other applications of PAGE include cancelling ghosts which arise due to amplitude or phase variation during the approach to steady state. Parallel imaging requires estimates of the complex coil sensitivities. In vivo estimates may be derived by temporally varying the phase encode ordering to obtain a full k-space dataset in a scheme

Phased array ghost elimination

PubMed Central

Kellman, Peter; McVeigh, Elliot R.

2007-01-01

Parallel imaging may be applied to cancel ghosts caused by a variety of distortion mechanisms, including distortions such as off-resonance or local flow, which are space variant. Phased array combining coefficients may be calculated that null ghost artifacts at known locations based on a constrained optimization, which optimizes SNR subject to the nulling constraint. The resultant phased array ghost elimination (PAGE) technique is similar to the method known as sensitivity encoding (SENSE) used for accelerated imaging; however, in this formulation is applied to full field-of-view (FOV) images. The phased array method for ghost elimination may result in greater flexibility in designing acquisition strategies. For example, in multi-shot EPI applications ghosts are typically mitigated by the use of an interleaved phase encode acquisition order. An alternative strategy is to use a sequential, non-interleaved phase encode order and cancel the resultant ghosts using PAGE parallel imaging. Cancellation of ghosts by means of phased array processing makes sequential, non-interleaved phase encode acquisition order practical, and permits a reduction in repetition time, TR, by eliminating the need for echo-shifting. Sequential, non-interleaved phase encode order has benefits of reduced distortion due to off-resonance, in-plane flow and EPI delay misalignment. Furthermore, the use of EPI with PAGE has inherent fat-water separation and has been used to provide off-resonance correction using a technique referred to as lipid elimination with an echo-shifting N/2-ghost acquisition (LEENA), and may further generalized using the multi-point Dixon method. Other applications of PAGE include cancelling ghosts which arise due to amplitude or phase variation during the approach to steady state. Parallel imaging requires estimates of the complex coil sensitivities. In vivo estimates may be derived by temporally varying the phase encode ordering to obtain a full k-space dataset in a scheme

Spatio-temporal phase retrieval in speckle interferometry with Hilbert transform and two-dimensional phase unwrapping

NASA Astrophysics Data System (ADS)

Li, Xiangyu; Huang, Zhanhua; Zhu, Meng; He, Jin; Zhang, Hao

2014-12-01

Hilbert transform (HT) is widely used in temporal speckle pattern interferometry, but errors from low modulations might propagate and corrupt the calculated phase. A spatio-temporal method for phase retrieval using temporal HT and spatial phase unwrapping is presented. In time domain, the wrapped phase difference between the initial and current states is directly determined by using HT. To avoid the influence of the low modulation intensity, the phase information between the two states is ignored. As a result, the phase unwrapping is shifted from time domain to space domain. A phase unwrapping algorithm based on discrete cosine transform is adopted by taking advantage of the information in adjacent pixels. An experiment is carried out with a Michelson-type interferometer to study the out-of-plane deformation field. High quality whole-field phase distribution maps with different fringe densities are obtained. Under the experimental conditions, the maximum number of fringes resolvable in a 416×416 frame is 30, which indicates a 15λ deformation along the direction of loading.

Evidence of monotropic hexatic tilted smectic phase in the phase sequence of ferroelectric liquid crystal

NASA Astrophysics Data System (ADS)

Różycka, Anna; Deptuch, Aleksandra; Jaworska-Gołąb, Teresa; Węgłowska, Dorota; Marzec, Monika

2018-02-01

Physical properties of a new ferroelectric liquid crystal have been studied by complementary methods: differential scanning calorimetry, polarizing optical microscopy, dielectric and X-ray diffraction. It was found that next to enantiotropic ferroelectric smectic C* phase, the monotropic smectic phase appears at cooling. X-ray diffraction measurements allowed to identify this phase as hexatic tilted smectic. Temperature dependence of spontaneous polarization, tilt angle of molecules and switching time were found in both liquid crystalline phases at cooling. Based on the dielectric results, the dielectric processes were identified as Goldstone mode in the smectic C* phase, whereas as the bond-orientation-like phason and the bulk domain mode in the monotropic hexatic tilted smectic phase.