Strong carrier localization in stacking faults in semipolar (11-22) GaN

NASA Astrophysics Data System (ADS)

Okur, Serdal; Monavarian, Morteza; Das, Saikat; Izyumskaya, Natalia; Zhang, Fan; Avrutin, Vitaliy; Morkoç, Hadis; Özgür, Ümit

2015-03-01

The effects of stacking faults (SFs) on optical processes in epitaxially grown semipolar (1122) GaN on m-sapphire substrate have been investigated in detail using steady-state photoluminescence (PL) and time- and polarization-resolved PL. We demonstrate that the carrier recombination dynamics are substantially influenced due to strong carrier localization in the stacking faults. In addition to nonradiative recombination, carrier trapping/detrapping and carrier transfer between the stacking faults and donors are also found to be among the mechanisms affecting the recombination dynamics at different temperatures. PL decay times of both I1-type BSF and 3.31 eV SF (E-type BSF or prismatic stacking fault) do not show temperature dependence up to 80 K while 3.31 eV SF exhibits longer PL decay times (~3 ns) at low temperatures as compared to I1-type BSF (~1 ns), indicative of lower efficiency for radiative recombination. After 80 K, PL decay times decreased by power of ~-1 and ~-2 for 3.31 eV SF and I1-type BSF, respectively. It is obtained from radiative decay times with respect to temperature that the carrier localization becomes higher in I1-type BSF compared to 3.31 eV SF increasing the temperature. I1-type BSF also shows higher PL intensity, which is attributed to larger density, and therefore, larger contribution to recombination dynamics as compared to other type of stacking faults. Polarization-resolved PL measurements also revealed that the degree of polarization for the I1-type BSF (0.30) was twice that for the 3.31 eV SF.

Homogeneous AlGaN/GaN superlattices grown on free-standing (1100) GaN substrates by plasma-assisted molecular beam epitaxy

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

Shao, Jiayi; Malis, Oana; Physics Department, Purdue University, West Lafayette, Indiana 47907

Two-dimensional and homogeneous growth of m-plane AlGaN by plasma-assisted molecular beam epitaxy has been realized on free-standing (1100) GaN substrates by implementing high metal-to-nitrogen (III/N) flux ratio. AlN island nucleation, often reported for m-plane AlGaN under nitrogen-rich growth conditions, is suppressed at high III/N flux ratio, highlighting the important role of growth kinetics for adatom incorporation. The homogeneity and microstructure of m-plane AlGaN/GaN superlattices are assessed via a combination of scanning transmission electron microscopy and high resolution transmission electron microscopy (TEM). The predominant defects identified in dark field TEM characterization are short basal plane stacking faults (SFs) bounded by eithermore » Frank-Shockley or Frank partial dislocations. In particular, the linear density of SFs is approximately 5 × 10{sup −5} cm{sup −1}, and the length of SFs is less than 15 nm.« less

Validation of the Concurrent Atomistic-Continuum Method on Screw Dislocation/Stacking Fault Interactions

DOE PAGES

Xu, Shuozhi; Xiong, Liming; Chen, Youping; ...

2017-04-26

Dislocation/stacking fault interactions play an important role in the plastic deformation of metallic nanocrystals and polycrystals. These interactions have been explored in atomistic models, which are limited in scale length by high computational cost. In contrast, multiscale material modeling approaches have the potential to simulate the same systems at a fraction of the computational cost. In this paper, we validate the concurrent atomistic-continuum (CAC) method on the interactions between a lattice screw dislocation and a stacking fault (SF) in three face-centered cubic metallic materials—Ni, Al, and Ag. Two types of SFs are considered: intrinsic SF (ISF) and extrinsic SF (ESF).more » For the three materials at different strain levels, two screw dislocation/ISF interaction modes (annihilation of the ISF and transmission of the dislocation across the ISF) and three screw dislocation/ESF interaction modes (transformation of the ESF into a three-layer twin, transformation of the ESF into an ISF, and transmission of the dislocation across the ESF) are identified. Here, our results show that CAC is capable of accurately predicting the dislocation/SF interaction modes with greatly reduced DOFs compared to fully-resolved atomistic simulations.« less

Validation of the Concurrent Atomistic-Continuum Method on Screw Dislocation/Stacking Fault Interactions

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

Xu, Shuozhi; Xiong, Liming; Chen, Youping

Dislocation/stacking fault interactions play an important role in the plastic deformation of metallic nanocrystals and polycrystals. These interactions have been explored in atomistic models, which are limited in scale length by high computational cost. In contrast, multiscale material modeling approaches have the potential to simulate the same systems at a fraction of the computational cost. In this paper, we validate the concurrent atomistic-continuum (CAC) method on the interactions between a lattice screw dislocation and a stacking fault (SF) in three face-centered cubic metallic materials—Ni, Al, and Ag. Two types of SFs are considered: intrinsic SF (ISF) and extrinsic SF (ESF).more » For the three materials at different strain levels, two screw dislocation/ISF interaction modes (annihilation of the ISF and transmission of the dislocation across the ISF) and three screw dislocation/ESF interaction modes (transformation of the ESF into a three-layer twin, transformation of the ESF into an ISF, and transmission of the dislocation across the ESF) are identified. Here, our results show that CAC is capable of accurately predicting the dislocation/SF interaction modes with greatly reduced DOFs compared to fully-resolved atomistic simulations.« less

Dual mechanisms of grain refinement in a FeCoCrNi high-entropy alloy processed by high-pressure torsion

PubMed Central

Wu, Wenqian; Song, Min; Ni, Song; Wang, Jingshi; Liu, Yong; Liu, Bin; Liao, Xiaozhou

2017-01-01

An equiatomic FeCoCrNi high-entropy alloy with a face-centered cubic structure was fabricated by a powder metallurgy route, and then processed by high-pressure torsion. Detailed microscopy investigations revealed that grain refinement from coarse grains to nanocrystalline grains occurred mainly via concurrent nanoband (NB) subdivision and deformation twinning. NB–NB, twin–NB and twin–twin interactions contributed to the deformation process. The twin–twin interactions resulted in severe lattice distortion and accumulation of high densities of dislocations in the interaction areas. With increasing strain, NB subdivision and interactions between primary twins and inclined secondary stacking faults (SFs)/nanotwins occurred. Secondary nanotwins divided the primary twins into many equiaxed parts, leading to further grain refinement. The interactions between secondary SFs/nanotwins associated with the presence of Shockley partials and primary twins also transformed the primary twin boundaries into incoherent high-angle grain boundaries. PMID:28429759

Influence of antisite defects and stacking faults on the magnetocrystalline anisotropy of FePt

NASA Astrophysics Data System (ADS)

Wolloch, M.; Suess, D.; Mohn, P.

2017-09-01

We present density functional theory (DFT) calculations of the magnetic anisotropy energy (MAE) of FePt, which is of great interest for magnetic recording applications. Our data, and the majority of previously calculated results for perfectly ordered crystals, predict a MAE of ˜3.0 meV per formula unit, which is significantly larger than experimentally measured values. Analyzing the effects of disorder by introducing stacking faults (SFs) and antisite defects (ASDs) in varying concentrations we are able to reconcile calculations with experimental data and show that even a low concentration of ASDs are able to reduce the MAE of FePt considerably. Investigating the effect of exact exchange and electron correlation within the adiabatic-connection dissipation fluctuation theorem in the random phase approximation (ACDFT-RPA) reveals a significantly smaller influence on the MAE. Thus the effect of disorder, and more specifically ASDs, is the crucial factor in explaining the deviation of common DFT calculations of FePt to experimental measurements.

Enhanced Ferromagnetism in Nanoscale GaN:Mn Wires Grown on GaN Ridges.

PubMed

Cheng, Ji; Jiang, Shengxiang; Zhang, Yan; Yang, Zhijian; Wang, Cunda; Yu, Tongjun; Zhang, Guoyi

2017-05-02

The problem of weak magnetism has hindered the application of magnetic semiconductors since their invention, and on the other hand, the magnetic mechanism of GaN-based magnetic semiconductors has been the focus of long-standing debate. In this work, nanoscale GaN:Mn wires were grown on the top of GaN ridges by metalorganic chemical vapor deposition (MOCVD), and the superconducting quantum interference device (SQUID) magnetometer shows that its ferromagnetism is greatly enhanced. Secondary ion mass spectrometry (SIMS) and energy dispersive spectroscopy (EDS) reveal an obvious increase of Mn composition in the nanowire part, and transmission electron microscopy (TEM) and EDS mapping results further indicate the correlation between the abundant stacking faults (SFs) and high Mn doping. When further combined with the micro-Raman results, the magnetism in GaN:Mn might be related not only to Mn concentration, but also to some kinds of built-in defects introduced together with the Mn doping or the SFs.

Atomic-scale study of stacking faults in Zr hydrides and implications on hydride formation.

PubMed

Besson, Remy; Thuinet, L; Louchez, Marc-Antoine

2018-06-25

We performed atomic-scale ab initio calculations to investigate the stacking fault (SF) properties of the metastable zeta-Zr2H zirconium hydride. The effect of H near the SF was found to entail the existence of negative SF energies, showing that the zeta compound is probably unstable with respect to shearing in the basal plane. The effect of temperature on SFs was investigated by means of free energy calculations in the quasiharmonic approximation. This evidenced unexpectedly large temperature effects, confirming the main conclusions drawn at 0 K, in particular the zeta mechanical instability. The complex behaviour of H atoms during the shear process suggested zeta-hcp --> Zr2H[111]-fcc as a plausible shear path leading to an fcc compound with same composition as zeta. Finally, as shown by an analysis based on microelasticity, this Zr2H[111]-fcc intermediate compound may be relevant for better interpreting the currently intricate issue of hydride habit planes in zirconium. © 2018 IOP Publishing Ltd.

Twinning and martensite in a 304 austenitic stainless steel

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

Shen, Yongfeng; Li, Xi; Sun, Xin

2012-08-30

The microstructure characteristics and deformation behavior of 304L stainless steel during tensile deformation at two different strain rates have been investigated by means of interrupted tensile tests, electron-backscatter-diffraction (EBSD) and transmission electron microscopy (TEM) techniques. The volume fractions of transformed martensite and deformation twins at different stages of the deformation process were measured using X-ray diffraction method and TEM observations. It is found that the volume fraction of martensite monotonically increases with increasing strain but decreases with increasing strain rate. On the other hand, the volume fraction of twins increases with increasing strain for strain level less than 57%. Beyondmore » that, the volume fraction of twins decreases with increasing strain. Careful TEM observations show that stacking faults (SFs) and twins preferentially occur before the nucleation of martensite. Meanwhile, both {var_epsilon}-martensite and {alpha}{prime}-martensite are observed in the deformation microstructures, indicating the co-existence of stress induced- transformation and strain-induced-transformation. We also discussed the effects of twinning and martensite transformation on work-hardening as well as the relationship between stacking faults, twinning and martensite transformation.« less

Kinetic effects in InP nanowire growth and stacking fault formation: the role of interface roughening.

PubMed

Chiaramonte, Thalita; Tizei, Luiz H G; Ugarte, Daniel; Cotta, Mônica A

2011-05-11

InP nanowire polytypic growth was thoroughly studied using electron microscopy techniques as a function of the In precursor flow. The dominant InP crystal structure is wurtzite, and growth parameters determine the density of stacking faults (SF) and zinc blende segments along the nanowires (NWs). Our results show that SF formation in InP NWs cannot be univocally attributed to the droplet supersaturation, if we assume this variable to be proportional to the ex situ In atomic concentration at the catalyst particle. An imbalance between this concentration and the axial growth rate was detected for growth conditions associated with larger SF densities along the NWs, suggesting a different route of precursor incorporation at the triple phase line in that case. The formation of SFs can be further enhanced by varying the In supply during growth and is suppressed for small diameter NWs grown under the same conditions. We attribute the observed behaviors to kinetically driven roughening of the semiconductor/metal interface. The consequent deformation of the triple phase line increases the probability of a phase change at the growth interface in an effort to reach local minima of system interface and surface energy.

Geometry, slip distribution, and kinematics of surface rupture on the Sakarya fault segment during the 17 August 1999 İzmit, Turkey, earthquake

USGS Publications Warehouse

Langridge, R.M.; Stenner, Heidi D.; Fumal, T.E.; Christofferson, S.A.; Rockwell, T.K.; Hartleb, R.D.; Bachhuber, J.; Barka, A.A.

2002-01-01

The Mw 7.4 17 August 1999 İzmit earthquake ruptured five major fault segments of the dextral North Anatolian Fault Zone. The 26-km-long, N86°W-trending Sakarya fault segment (SFS) extends from the Sapanca releasing step-over in the west to near the town of Akyazi in the east. The SFS emerges from Lake Sapanca as two distinct fault traces that rejoin to traverse the Adapazari Plain to Akyazi. Offsets were measured across 88 cultural and natural features that cross the fault, such as roads, cornfield rows, rows of trees, walls, rails, field margins, ditches, vehicle ruts, a dike, and ground cracks. The maximum displacement observed for the İzmit earthquake (∼5.1 m) was encountered on this segment. Dextral displacement for the SFS rises from less than 1 m at Lake Sapanca to greater than 5 m near Arifiye, only 3 km away. Average slip decreases uniformly to the east from Arifiye until the fault steps left from Sagir to Kazanci to the N75°W, 6-km-long Akyazi strand, where slip drops to less than 1 m. The Akyazi strand passes eastward into the Akyazi Bend, which consists of a high-angle bend (18°-29°) between the Sakarya and Karadere fault segments, a 6-km gap in surface rupture, and high aftershock energy release. Complex structural geometries exist between the İzmit, Düzce, and 1967 Mudurnu fault segments that have arrested surface ruptures on timescales ranging from 30 sec to 88 days to 32 yr. The largest of these step-overs may have acted as a rupture segmentation boundary in previous earthquake cycles.

Field based geothermal exploration: Structural controls in the Tarutung Basin/North Central Sumatra (Indonesia)

NASA Astrophysics Data System (ADS)

Nukman, M.; Moeck, I.

2012-04-01

The Tarutung Basin is one of several basins along the prominent Sumatra Fault System (SFS) which represents a dextral strike slip fault zone segmented into individual fault strands. The basins are located at right-stepping transfer. The Tarutung Basin hosts geothermal manifestations such as hot springs and travertines indicating a geothermal system with some decent potential in the subsurface. As part of geothermal exploration, field geology is investigated focusing on how the structural setting controls the thermal manifestation distribution. A complex fault pattern is now newly mapped and evidences sinistral faults striking E-W (Silangkitang), normal faults striking SE-NW at the eastern strand of Tarutung Basin (Sitompul) and normal faults striking NW-SE at the western strand of the basin (Sitaka). These structures form an angle greater than 450 with respect to the current maximum principal stress which is oriented in N-S. Secondary sinistral shear fractures identified as antithetic Riedel shears can be correlated with hot spring locations at Silangkitang, forming an angle of 500 with respect to the current maximum stress. A large angle of normal fault and antithetic Riedel shear trend with respect to the current maximum stress direction indicates that the structures have been rotated. Unidentified dextral strike slip faults might exist at the eastern strand of Tarutung Basin to accommodate the clockwise rotation between the eastern boundary of the basin and the NW-SE striking normal fault of Panabungan. Normal faults striking parallel with the SFS East of the basin are interpreted as dilatational jogs caused by the clockwise rotated block movement with respect to the NW-SE fault trend sinistral shear along ENE-WSW faults. Silicified pryroclastics in association with large discharge at hot springs at these NW-SE striking normal faults support this hypothesis. As proposed by Nivinkovich (1976) and Nishimura (1986) Sumatra has rotated 20° clockwise since the last two million years due to the increase in sea-floor spreading rate of the Indian-Australian plate. The combination of regional clockwise rotation of Sumatra with local clockwise rotation caused by simple shear along the dextral SFS might generate the complex fault pattern which controls fluid flow of thermal water and placement of hot springs. Acknowledgements : Deutscher Akademischer Austausch Dienst, DAAD. German Ministry for Education and Research, BMBF. Badan Geologi - KESDM Bandung, Indonesia.

The structure of crystallographic damage in GaN formed during rare earth ion implantation with and without an ultrathin AlN capping layer

NASA Astrophysics Data System (ADS)

Gloux, F.; Ruterana, P.; Wojtowicz, T.; Lorenz, K.; Alves, E.

2006-10-01

The crystallographic nature of the damage created in GaN implanted by rare earth ions at 300 keV and room temperature has been investigated by transmission electron microscopy versus the fluence, from 7×10 13 to 2×10 16 at/cm 2, using Er, Eu or Tm ions. The density of point defect clusters was seen to increase with the fluence. From about 3×10 15 at/cm 2, a highly disordered 'nanocrystalline layer' (NL) appears on the GaN surface. Its structure exhibits a mixture of voids and misoriented nanocrystallites. Basal stacking faults (BSFs) of I 1, E and I 2 types have been noticed from the lowest fluence, they are I 1 in the majority. Their density increases and saturates when the NL is observed. Many prismatic stacking faults (PSFs) with Drum atomic configuration have been identified. The I 1 BSFs are shown to propagate easily through GaN by folding from basal to prismatic planes thanks to the PSFs. When implanting through a 10 nm AlN cap, the NL threshold goes up to about 3×10 16 at/cm 2. The AlN cap plays a protective role against the dissociation of the GaN up to the highest fluences. The flat surface after implantation and the absence of SFs in the AlN cap indicate its high resistance to the damage formation.

Evolution of the Puente Hills Thrust Fault

NASA Astrophysics Data System (ADS)

Bergen, K. J.; Shaw, J. H.; Dolan, J. F.

2013-12-01

This study aims to assess the evolution of the blind Puente Hills thrust fault system (PHT) by determining its age of initiation, lateral propagation history, and changes in slip rate over time. The PHT presents one of the largest seismic hazards in the United States, given its location beneath downtown Los Angeles. The PHT is comprised of three fault segments: the Los Angeles (LA), Santa Fe Springs (SFS), and Coyote Hills (CH). The LA and SFS segments are characterized by growth stratigraphy where folds formed by uplift on the fault segments have been continually buried by sediment from the Los Angeles and San Gabriel rivers. The CH segment has developed topography and is characterized by onlapping growth stratigraphy. This depositional setting gives us the unique opportunity to measure uplift on the LA and SFS fault segments, and minimum uplift on the CH fault segment, as the difference in sediment thicknesses across the buried folds. We utilize depth converted oil industry seismic reflection data to image the fold geometries. Identifying time-correlative stratigraphic markers for slip rate determination in the basin has been a problem for researchers in the past, however, as the faunal assemblages observed in wells are time-transgressive by nature. To overcome this, we utilize the sequence stratigraphic model and well picks of Ponti et al. (2007) as a basis for mapping time-correlative sequence boundaries throughout our industry seismic reflection data from the present to the Pleistocene. From the Pleistocene to Miocene we identify additional sequence boundaries in our seismic reflection data from imaged sequence geometries and by correlating industry well formation tops. The sequence and formation top picks are then used to build 3-dimensional surfaces in the modeling program Gocad. From these surfaces we measure the change in thicknesses across the folds to obtain uplift rates between each sequence boundary. Our results show three distinct phases of deformation on the LA and SFS segments: an early period characterized by fault-propagation or structural wedge kinematics that terminates in the early Pleistocene, followed by a period of quiescence. The faults were subsequently reactivated in the middle Pleistocene and propagated upward to detachments, with the deformation characterized by fold-bend folding kinematics. Slip on the LA segment decreases to the West, suggesting lateral growth in that direction. Our work highlights the need to assess along-strike variability in slip rate when assessing the seismic hazard of a compressional fault, as marginal sites may significantly underestimate fault activity. Ponti, D. J. et al. A 3-Dimensional Model of Water-Bearing Sequences in the Dominguez Gap Region, Long Beach, California. US Geological Survey Open-File Report 1013 (2007).

Microstructural characterization of high-manganese austenitic steels with different stacking fault energies

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

Sato, Shigeo, E-mail: s.sato@imr.tohoku.ac.jp; Kwon, Eui-Pyo; Imafuku, Muneyuki

Microstructures of tensile-deformed high-manganese austenitic steels exhibiting twinning-induced plasticity were analyzed by electron backscatter diffraction pattern observation and X-ray diffraction measurement to examine the influence of differences in their stacking fault energies on twinning activity during deformation. The steel specimen with the low stacking fault energy of 15 mJ/m{sup 2} had a microstructure with a high population of mechanical twins than the steel specimen with the high stacking fault energy (25 mJ/m{sup 2}). The <111> and <100> fibers developed along the tensile axis, and mechanical twinning occurred preferentially in the <111> fiber. The Schmid factors for slip and twinning deformationsmore » can explain the origin of higher twinning activity in the <111> fiber. However, the high stacking fault energy suppresses the twinning activity even in the <111> fiber. A line profile analysis based on the X-ray diffraction data revealed the relationship between the characteristics of the deformed microstructures and the stacking fault energies of the steel specimens. Although the variation in dislocation density with the tensile deformation is not affected by the stacking fault energies, the effect of the stacking fault energies on the crystallite size refinement becomes significant with a decrease in the stacking fault energies. Moreover, the stacking fault probability, which was estimated from a peak-shift analysis of the 111 and 200 diffractions, was high for the specimen with low stacking fault energy. Regardless of the difference in the stacking fault energies of the steel specimens, the refined crystallite size has a certain correlation with the stacking fault probability, indicating that whether the deformation-induced crystallite-size refinement occurs depends directly on the stacking fault probability rather than on the stacking fault energies in the present steel specimens. - Highlights: {yields} We studied effects of stacking fault energies on deformed microstructures of steels. {yields} Correlations between texture and occurrence of mechanical twinning are discussed. {yields} Evolutions of dislocations and crystallite are analyzed by line profile analysis.« less

Surface inspection system for industrial components based on shape from shading minimization approach

NASA Astrophysics Data System (ADS)

Kotan, Muhammed; Öz, Cemil

2017-12-01

An inspection system using estimated three-dimensional (3-D) surface characteristics information to detect and classify the faults to increase the quality control on the frequently used industrial components is proposed. Shape from shading (SFS) is one of the basic and classic 3-D shape recovery problems in computer vision. In our application, we developed a system using Frankot and Chellappa SFS method based on the minimization of the selected basis function. First, the specialized image acquisition system captured the images of the component. To eliminate noise, wavelet transform is applied to the taken images. Then, estimated gradients were used to obtain depth and surface profiles. Depth information was used to determine and classify the surface defects. Also, a comparison made with some linearization-based SFS algorithms was discussed. The developed system was applied to real products and the results indicated that using SFS approaches is useful and various types of defects can easily be detected in a short period of time.

TEM study on relationship between stacking faults and non-basal dislocations in Mg

NASA Astrophysics Data System (ADS)

Zhang, Dalong; Jiang, Lin; Schoenung, Julie M.; Mahajan, Subhash; Lavernia, Enrique J.

2015-12-01

Recent interest in the study of stacking faults and non-basal slip in Mg alloys is partly based on the argument that these phenomena positively influence mechanical behaviour. Inspection of the published literature, however, reveals that there is a lack of fundamental information on the mechanisms that govern the formation of stacking faults, especially I1-type stacking faults (I1 faults). Moreover, controversial and sometimes contradictory mechanisms have been proposed concerning the interactions between stacking faults and dislocations. Therefore, we describe a fundamental transmission electron microscope investigation on Mg 2.5 at. % Y (Mg-2.5Y) processed via hot isostatic pressing (HIP) and extrusion at 623 K. In the as-HIPed Mg-2.5Y, many and dislocations, together with some dislocations were documented, but no stacking faults were observed. In contrast, in the as-extruded Mg-2.5Y, a relatively high density of stacking faults and some non-basal dislocations were documented. Specifically, there were three different cases for the configurations of observed stacking faults. Case (I): pure I2 faults; Case (II): mixture of I1 faults and non-basal dislocations having component, together with basal dislocations; Case (III): mixture of predominant I2 faults and rare I1 faults, together with jog-like dislocation configuration. By comparing the differences in extended defect configurations, we propose three distinct stacking fault formation mechanisms for each case in the context of slip activity and point defect generation during extrusion. Furthermore, we discuss the role of stacking faults on deformation mechanisms in the context of dynamic interactions between stacking faults and non-basal slip.

Experimental verification of the model for formation of double Shockley stacking faults in highly doped regions of PVT-grown 4H–SiC wafers

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

Yang, Yu; Guo, Jianqiu; Goue, Ouloide

Recently, we reported on the formation of overlapping rhombus-shaped stacking faults from scratches left over by the chemical mechanical polishing during high temperature annealing of PVT-grown 4H–SiC wafer. These stacking faults are restricted to regions with high N-doped areas of the wafer. The type of these stacking faults were determined to be Shockley stacking faults by analyzing the behavior of their area contrast using synchrotron white beam X-ray topography studies. A model was proposed to explain the formation mechanism of the rhombus shaped stacking faults based on double Shockley fault nucleation and propagation. In this paper, we have experimentally verifiedmore » this model by characterizing the configuration of the bounding partials of the stacking faults on both surfaces using synchrotron topography in back reflection geometry. As predicted by the model, on both the Si and C faces, the leading partials bounding the rhombus-shaped stacking faults are 30° Si-core and the trailing partials are 30° C-core. Finally, using high resolution transmission electron microscopy, we have verified that the enclosed stacking fault is a double Shockley type.« less

The measurement of the stacking fault energy in copper, nickel and copper-nickel alloys

NASA Technical Reports Server (NTRS)

Leighly, H. P., Jr.

1982-01-01

The relationship of hydrogen solubility and the hydrogen embrittlement of high strength, high performance face centered cubic alloys to the stacking fault energy of the alloys was investigated. The stacking fault energy is inversely related to the distance between the two partial dislocations which are formed by the dissociation of a perfect dislocation. The two partial dislocations define a stacking fault in the crystal which offers a region for hydrogen segregation. The distance between the partial dislocations is measured by weak beam, dark field transmission electron microscopy. The stacking fault energy is calculated. Pure copper, pure nickel and copper-nickel single crystals are used to determine the stacking fault energy.

Stacking fault effects in Mg-doped GaN

NASA Astrophysics Data System (ADS)

Schmidt, T. M.; Miwa, R. H.; Orellana, W.; Chacham, H.

2002-01-01

First-principles total energy calculations are performed to investigate the interaction of a stacking fault with a p-type impurity in both zinc-blende and wurtzite GaN. For both structures we find that, in the presence of a stacking fault, the impurity level is a more localized state in the band gap. In zinc-blende GaN, the minimum energy position of the substitutional Mg atom is at the plane of the stacking fault. In contrast, in wurtzite GaN the substitutional Mg atom at the plane of the stacking fault is a local minimum and the global minimum is the substitutional Mg far from the fault. This behavior can be understood as a packing effect which induces a distinct strain relief process, since the local structure of the stacking fault in zinc-blende GaN is similar to fault-free wurtzite GaN and vice-versa.

Hydrogen Embrittlement And Stacking-Fault Energies

NASA Technical Reports Server (NTRS)

Parr, R. A.; Johnson, M. H.; Davis, J. H.; Oh, T. K.

1988-01-01

Embrittlement in Ni/Cu alloys appears related to stacking-fault porbabilities. Report describes attempt to show a correlation between stacking-fault energy of different Ni/Cu alloys and susceptibility to hydrogen embrittlement. Correlation could lead to more fundamental understanding and method of predicting susceptibility of given Ni/Cu alloy form stacking-fault energies calculated from X-ray diffraction measurements.

Stacking fault density and bond orientational order of fcc ruthenium nanoparticles

NASA Astrophysics Data System (ADS)

Seo, Okkyun; Sakata, Osami; Kim, Jae Myung; Hiroi, Satoshi; Song, Chulho; Kumara, Loku Singgappulige Rosantha; Ohara, Koji; Dekura, Shun; Kusada, Kohei; Kobayashi, Hirokazu; Kitagawa, Hiroshi

2017-12-01

We investigated crystal structure deviations of catalytic nanoparticles (NPs) using synchrotron powder X-ray diffraction. The samples were fcc ruthenium (Ru) NPs with diameters of 2.4, 3.5, 3.9, and 5.4 nm. We analyzed average crystal structures by applying the line profile method to a stacking fault model and local crystal structures using bond orientational order (BOO) parameters. The reflection peaks shifted depending on rules that apply to each stacking fault. We evaluated the quantitative stacking faults densities for fcc Ru NPs, and the stacking fault per number of layers was 2-4, which is quite large. Our analysis shows that the fcc Ru 2.4 nm-diameter NPs have a considerably high stacking fault density. The B factor tends to increase with the increasing stacking fault density. A structural parameter that we define from the BOO parameters exhibits a significant difference from the ideal value of the fcc structure. This indicates that the fcc Ru NPs are highly disordered.

The behaviour of stacking fault energy upon interstitial alloying.

PubMed

Lee, Jee-Yong; Koo, Yang Mo; Lu, Song; Vitos, Levente; Kwon, Se Kyun

2017-09-11

Stacking fault energy is one of key parameters for understanding the mechanical properties of face-centered cubic materials. It is well known that the plastic deformation mechanism is closely related to the size of stacking fault energy. Although alloying is a conventional method to modify the physical parameter, the underlying microscopic mechanisms are not yet clearly established. Here, we propose a simple model for determining the effect of interstitial alloying on the stacking fault energy. We derive a volumetric behaviour of stacking fault energy from the harmonic approximation to the energy-lattice curve and relate it to the contents of interstitials. The stacking fault energy is found to change linearly with the interstitial content in the usual low concentration domain. This is in good agreement with previously reported experimental and theoretical data.

Origin analysis of expanded stacking faults by applying forward current to 4H-SiC p-i-n diodes

NASA Astrophysics Data System (ADS)

Hayashi, Shohei; Naijo, Takanori; Yamashita, Tamotsu; Miyazato, Masaki; Ryo, Mina; Fujisawa, Hiroyuki; Miyajima, Masaaki; Senzaki, Junji; Kato, Tomohisa; Yonezawa, Yoshiyuki; Kojima, Kazutoshi; Okumura, Hajime

2017-08-01

Stacking faults expanded by the application of forward current to 4H-SiC p-i-n diodes were observed using a transmission electron microscope to investigate the expansion origin. It was experimentally confirmed that long-zonal-shaped stacking faults expanded from basal-plane dislocations converted into threading edge dislocations. In addition, stacking fault expansion clearly penetrated into the substrate to a greater depth than the dislocation conversion point. This downward expansion of stacking faults strongly depends on the degree of high-density minority carrier injection.

Deformation induced microtwins and stacking faults in aluminum single crystal.

PubMed

Han, W Z; Cheng, G M; Li, S X; Wu, S D; Zhang, Z F

2008-09-12

Microtwins and stacking faults in plastically deformed aluminum single crystal were successfully observed by high-resolution transmission electron microscope. The occurrence of these microtwins and stacking faults is directly related to the specially designed crystallographic orientation, because they were not observed in pure aluminum single crystal or polycrystal before. Based on the new finding above, we propose a universal dislocation-based model to judge the preference or not for the nucleation of deformation twins and stacking faults in various face-centered-cubic metals in terms of the critical stress for dislocation glide or twinning by considering the intrinsic factors, such as stacking fault energy, crystallographic orientation, and grain size. The new finding of deformation induced microtwins and stacking faults in aluminum single crystal and the proposed model should be of interest to a broad community.

Effect of stacking faults on the magnetocrystalline anisotropy of hcp Co: a first-principles study.

PubMed

Aas, C J; Szunyogh, L; Evans, R F L; Chantrell, R W

2013-07-24

In terms of the fully relativistic screened Korringa-Kohn-Rostoker method we investigate the effect of stacking faults on the magnetic properties of hexagonal close-packed (hcp) cobalt. In particular, we consider the formation energy and the effect on the magnetocrystalline anisotropy energy (MAE) of four different stacking faults in hcp cobalt-an intrinsic growth fault, an intrinsic deformation fault, an extrinsic fault and a twin-like fault. We find that the intrinsic growth fault has the lowest formation energy, in good agreement with previous first-principles calculations. With the exception of the intrinsic deformation fault which has a positive impact on the MAE, we find that the presence of a stacking fault generally reduces the MAE of bulk Co. Finally, we consider a pair of intrinsic growth faults and find that their effect on the MAE is not additive, but synergic.

Supplementary feeding and endoparasites in threatened avian scavengers: Coprologic evidence from red kites in their wintering stronghold.

PubMed

Blanco, Guillermo; Cardells, Jesús; Garijo-Toledo, María M

2017-05-01

Many obligate and facultative avian scavengers are increasingly dependent on food provided in supplementary feeding stations (SFS), which are managed for the conservation of these species. Deliberate feeding can influence disease-related host demography and population dynamics through physiological changes and density-dependent parasite acquisition and transmission, but information on this threat to avian scavengers is scarce. Due to their effects on host aggregation and density, we hypothesised that the predictability and concentration of food in SFS can exacerbate parasite infection. This hypothesis was tested by comparing the prevalence, richness, abundance and mixed infection of endoparasites (coccidia and helminths) in red kites Milvus milvus foraging on livestock carcasses (mostly of pigs and poultry) in overcrowded and confined conditions at SFS, relative to those foraging alone or in small groups on wild prey unevenly randomly distributed within large areas during winter, mostly wild rabbits (Oryctolagus cuniculus). No clear differences were found between areas with and without SFS in the prevalence and abundance of oocyst of Eimeria. This coccidian genus appears to include parasites of the prey rather than the raptors, thus representing parasite transport or pseudo-parasitism rather than actual parasitism in the kites. A higher prevalence and richness of helminths, as well as mixed infections with several phyla, was found in kites exploiting SFS than in those feeding on wild prey in the area without SFS. The unsanitary conditions derived from the stack of livestock carcasses and the contamination of carrion with the faeces of multiple scavenger hosts can increase the accumulation and persistence of helminths eggs and intermediate hosts. The regular use and frequent confinement of large numbers of red kites at SFS can promote the spread of parasites to a large proportion of the European breeding population distributed across Spain during the winter. We encourage that carcasses of free roaming livestock can be left in the countryside, as well as the conservation management of wildlife exploited as food by red kites (especially wild rabbits), to attempt avoiding overcrowded and confined conditions at SFS. Further research is required to assess the impact of deliberate feeding on the spread of parasites and other disease agents in the threatened species SFS are intended to favour. Copyright © 2017 Elsevier Inc. All rights reserved.

Photoluminescence and positron annihilation studies on Mg-doped nitrogen-polarity semipolar (101xAF1xAF) GaN heteroepitaxial layers grown by metalorganic vapor phase epitaxy

NASA Astrophysics Data System (ADS)

Onuma, T.; Uedono, A.; Asamizu, H.; Sato, H.; Kaeding, J. F.; Iza, M.; DenBaars, S. P.; Nakamura, S.; Chichibu, S. F.

2010-03-01

The influences of enhanced stacking fault (SF) formation, which is peculiar to nitrogen-(N-) polarity growth and lattice-mismatched semipolar heteroepitaxy, on the electrical properties of (101¯1¯) Mg-doped GaN (GaN:Mg) epilayers were investigated. Although the residual donor concentration was higher than (0001) GaN because of N-polar growth, comparatively low Mg doping (3×1019 cm-3) gave a hole concentration approximately 1.5×1018 cm-3, which was an order of magnitude higher than (0001) GaN:Mg. As the acceptor ionization energy estimated from low temperature photoluminescence was quite similar for (101¯1¯) and (0001) GaN:Mg, the high Mg activation seems to result with the aid of high density SFs. Because the Doppler broadening S parameter for the positron annihilation measurement, which reflects the concentration or size of negatively charged cation vacancies, of (101¯1¯) GaN:Mg was smaller than (0001) case, (101¯1¯) orientation is well suited to Mg-doping.

Stacking-fault nucleation on Ir(111).

PubMed

Busse, Carsten; Polop, Celia; Müller, Michael; Albe, Karsten; Linke, Udo; Michely, Thomas

2003-08-01

Variable temperature scanning tunneling microscopy experiments reveal that in Ir(111) homoepitaxy islands nucleate and grow both in the regular fcc stacking and in the faulted hcp stacking. Analysis of this effect in dependence on deposition temperature leads to an atomistic model of stacking-fault formation: The large, metastable stacking-fault islands grow by sufficiently fast addition of adatoms to small mobile adatom clusters which occupy in thermal equilibrium the hcp sites with a significant probability. Using parameters derived independently by field ion microscopy, the model accurately describes the results for Ir(111) and is expected to be valid also for other surfaces.

A method to determine fault vectors in 4H-SiC from stacking sequences observed on high resolution transmission electron microscopy images

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

Wu, Fangzhen; Wang, Huanhuan; Raghothamachar, Balaji

A new method has been developed to determine the fault vectors associated with stacking faults in 4H-SiC from their stacking sequences observed on high resolution TEM images. This method, analogous to the Burgers circuit technique for determination of dislocation Burgers vector, involves determination of the vectors required in the projection of the perfect lattice to correct the deviated path constructed in the faulted material. Results for several different stacking faults were compared with fault vectors determined from X-ray topographic contrast analysis and were found to be consistent. This technique is expected to applicable to all structures comprising corner shared tetrahedra.

Effect of stacking fault energy on mechanism of plastic deformation in nanotwinned FCC metals

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

Borovikov, Valery; Mendelev, Mikhail I.; King, Alexander H.

Starting from a semi-empirical potential designed for Cu, we have developed a series of potentials that provide essentially constant values of all significant (calculated) materials properties except for the intrinsic stacking fault energy, which varies over a range that encompasses the lowest and highest values observed in nature. In addition, these potentials were employed in molecular dynamics (MD) simulations to investigate how stacking fault energy affects the mechanical behavior of nanotwinned face-centered cubic (FCC) materials. The results indicate that properties such as yield strength and microstructural stability do not vary systematically with stacking fault energy, but rather fall into twomore » distinct regimes corresponding to 'low' and 'high' stacking fault energies.« less

Opposing effects of stacking faults and antisite domain boundaries on the conduction band edge in kesterite quaternary semiconductors

NASA Astrophysics Data System (ADS)

Park, Ji-Sang; Kim, Sunghyun; Walsh, Aron

2018-01-01

We investigated stability and the electronic structure of extended defects including antisite domain boundaries and stacking faults in the kesterite-structured semiconductors, Cu2ZnSnS4 (CZTS) and Cu2ZnSnSe4 (CZTSe). Our hybrid density functional theory calculations show that stacking faults in CZTS and CZTSe induce a higher conduction band edge than the bulk counterparts, and thus the stacking faults act as electron barriers. Antisite domain boundaries, however, accumulate electrons as the conduction band edge is reduced in energy, having an opposite role. An Ising model was constructed to account for the stability of stacking faults, which shows the nearest-neighbor interaction is stronger in the case of the selenide.

Effect of stacking fault energy on mechanism of plastic deformation in nanotwinned FCC metals

DOE PAGES

Borovikov, Valery; Mendelev, Mikhail I.; King, Alexander H.; ...

2015-05-15

Starting from a semi-empirical potential designed for Cu, we have developed a series of potentials that provide essentially constant values of all significant (calculated) materials properties except for the intrinsic stacking fault energy, which varies over a range that encompasses the lowest and highest values observed in nature. In addition, these potentials were employed in molecular dynamics (MD) simulations to investigate how stacking fault energy affects the mechanical behavior of nanotwinned face-centered cubic (FCC) materials. The results indicate that properties such as yield strength and microstructural stability do not vary systematically with stacking fault energy, but rather fall into twomore » distinct regimes corresponding to 'low' and 'high' stacking fault energies.« less

X-Ray Diffuse Scattering Study of the Kinetics of Stacking Fault Growth and Annihilation in Boron-Implanted Silicon.

NASA Astrophysics Data System (ADS)

Patel, J. R.

2002-06-01

Stacking faults in boron-implanted silicon give rise to streaks or rods of scattered x-ray intensity normal to the stacking fault plane. We have used the diffuse scattering rods to follow the growth of faults as a function of time when boron-implanted silicon is annealed in the range 925 - 1025 C.

The determination of the stacking fault energy in copper-nickel alloys

NASA Technical Reports Server (NTRS)

Leighly, H. P., Jr.

1982-01-01

Methods for determining the stacking fault energies of a series of nickel-copper alloys to gain an insight into the embrittling effect of hydrogen are evaluated. Plans for employing weak beam dark field electron microscopy to determine stacking fault energies are outlined.

Influence of basal-plane dislocation structures on expansion of single Shockley-type stacking faults in forward-current degradation of 4H-SiC p-i-n diodes

NASA Astrophysics Data System (ADS)

Hayashi, Shohei; Yamashita, Tamotsu; Senzaki, Junji; Miyazato, Masaki; Ryo, Mina; Miyajima, Masaaki; Kato, Tomohisa; Yonezawa, Yoshiyuki; Kojima, Kazutoshi; Okumura, Hajime

2018-04-01

The origin of expanded single Shockley-type stacking faults in forward-current degradation of 4H-SiC p-i-n diodes was investigated by the stress-current test. At a stress-current density lower than 25 A cm-2, triangular stacking faults were formed from basal-plane dislocations in the epitaxial layer. At a stress-current density higher than 350 A cm-2, both triangular and long-zone-shaped stacking faults were formed from basal-plane dislocations that converted into threading edge dislocations near the interface between the epitaxial layer and the substrate. In addition, the conversion depth of basal-plane dislocations that expanded into the stacking fault was inside the substrate deeper than the interface. These results indicate that the conversion depth of basal-plane dislocations strongly affects the threshold stress-current density at which the expansion of stacking faults occurs.

Theoretical investigation of the formation of basal plane stacking faults in heavily nitrogen-doped 4H-SiC crystals

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

Taniguchi, Chisato; Ichimura, Aiko; Ohtani, Noboru, E-mail: ohtani.noboru@kwansei.ac.jp

The formation of basal plane stacking faults in heavily nitrogen-doped 4H-SiC crystals was theoretically investigated. A novel theoretical model based on the so-called quantum well action mechanism was proposed; the model considers several factors, which were overlooked in a previously proposed model, and provides a detailed explanation of the annealing-induced formation of double layer Shockley-type stacking faults in heavily nitrogen-doped 4H-SiC crystals. We further revised the model to consider the carrier distribution in the depletion regions adjacent to the stacking fault and successfully explained the shrinkage of stacking faults during annealing at even higher temperatures. The model also succeeded inmore » accounting for the aluminum co-doping effect in heavily nitrogen-doped 4H-SiC crystals, in that the stacking fault formation is suppressed when aluminum acceptors are co-doped in the crystals.« less

Self-Catalyzed Growth of Axial GaAs/GaAsSb Nanowires by Molecular Beam Epitaxy for Photodetectors

DTIC Science & Technology

2015-06-01

blende structure with mixture of stacking faults and twins and the presence of these faults were significantly reduced in the NWs grown on chemically...a) TEM image of the core NW (b) HR-TEM image displaying the stacking faults and twinning defects. (c)SAED pattern showing the ZB crystal structure...of stacking faults and twins and the presence of these faults were significantly reduced in the NWs grown on chemically etched substrates. For

Cathodoluminescence of stacking fault bound excitons for local probing of the exciton diffusion length in single GaN nanowires

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

Nogues, Gilles, E-mail: gilles.nogues@neel.cnrs.fr; Den Hertog, Martien; Inst. NEEL, CNRS, F-38042 Grenoble

We perform correlated studies of individual GaN nanowires in scanning electron microscopy combined to low temperature cathodoluminescence, microphotoluminescence, and scanning transmission electron microscopy. We show that some nanowires exhibit well localized regions emitting light at the energy of a stacking fault bound exciton (3.42 eV) and are able to observe the presence of a single stacking fault in these regions. Precise measurements of the cathodoluminescence signal in the vicinity of the stacking fault give access to the exciton diffusion length near this location.

Driving force of stacking-fault formation in SiC p-i-n diodes.

PubMed

Ha, S; Skowronski, M; Sumakeris, J J; Paisley, M J; Das, M K

2004-04-30

The driving force of stacking-fault expansion in SiC p-i-n diodes was investigated using optical emission microscopy and transmission electron microscopy. The stacking-fault expansion and properties of the partial dislocations were inconsistent with any stress as the driving force. A thermodynamic free energy difference between the perfect and a faulted structure is suggested as a plausible driving force in the tested diodes, indicating that hexagonal polytypes of silicon carbide are metastable at room temperature.

Ab initio study of point defects near stacking faults in 3C-SiC

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

Xi, Jianqi; Liu, Bin; Zhang, Yanwen

Interactions between point defects and stacking faults in 3C-SiC are studied using an ab initio method based on density functional theory. The results show that the discontinuity of the stacking sequence considerably affects the configurations and behavior of intrinsic defects, especially in the case of silicon interstitials. The existence of an intrinsic stacking fault (missing a C-Si bilayer) shortens the distance between the tetrahedral-center site and its second-nearest-neighboring silicon layer, making the tetrahedral silicon interstitial unstable. Instead of a tetrahedral configuration with four C neighbors, a pyramid-like interstitial structure with a defect state within the band gap becomes a stablemore » configuration. In addition, orientation rotation occurs in the split interstitials that has diverse effects on the energy landscape of silicon and carbon split interstitials in the stacking fault region. Moreover, our analyses of ionic relaxation and electronic structure of vacancies show that the built-in strain field, owing to the existence of the stacking fault, makes the local environment around vacancies more complex than that in the bulk.« less

Ab initio study of point defects near stacking faults in 3C-SiC

DOE PAGES

Xi, Jianqi; Liu, Bin; Zhang, Yanwen; ...

2016-07-02

Interactions between point defects and stacking faults in 3C-SiC are studied using an ab initio method based on density functional theory. The results show that the discontinuity of the stacking sequence considerably affects the configurations and behavior of intrinsic defects, especially in the case of silicon interstitials. The existence of an intrinsic stacking fault (missing a C-Si bilayer) shortens the distance between the tetrahedral-center site and its second-nearest-neighboring silicon layer, making the tetrahedral silicon interstitial unstable. Instead of a tetrahedral configuration with four C neighbors, a pyramid-like interstitial structure with a defect state within the band gap becomes a stablemore » configuration. In addition, orientation rotation occurs in the split interstitials that has diverse effects on the energy landscape of silicon and carbon split interstitials in the stacking fault region. Moreover, our analyses of ionic relaxation and electronic structure of vacancies show that the built-in strain field, owing to the existence of the stacking fault, makes the local environment around vacancies more complex than that in the bulk.« less

X-ray diffuse scattering study of the kinetics of stacking fault growth and annihilation in boron-implanted silicon

NASA Astrophysics Data System (ADS)

Luebbert, D.; Arthur, J.; Sztucki, M.; Metzger, T. H.; Griffin, P. B.; Patel, J. R.

2002-10-01

Stacking faults in boron-implanted silicon give rise to streaks or rods of scattered x-ray intensity normal to the stacking fault plane. We have used the diffuse scattering rods to follow the growth of faults as a function of time when boron-implanted silicon is annealed in the range of 925 to 1025 degC. From the growth kinetics we obtain an activation energy for interstitial migration in silicon: EI=1.98plus-or-minus0.06 eV. Fault intensity and size versus time results indicate that faults do not shrink and disappear, but rather are annihilated by a dislocation reaction mechanism.

Domain wall pinning on strain relaxation defects (stacking faults) in nanoscale FePd (001)/MgO thin films

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

Hsiao, C. H.; Ouyang, Chuenhou, E-mail: wei0208@gmail.com, E-mail: houyang@mx.nthu.edu.tw; Yao, Y. D.

FePd (001) films, prepared by an electron beam deposition system on MgO(100), exhibit a perpendicular magnetic anisotropy (1.7 × 10{sup 7 }erg/cc) with a high order parameter (0.92). The relation between stacking faults induced by the strain relaxation, which act as strong domain wall pinning sites, and the perpendicular coercivity of (001) oriented L1{sub 0} FePd films prepared at different temperatures have been investigated. Perpendicular coercivity can be apparently enhanced by raising the stacking fault densities, which can be elevated by climbing dissociation of total dislocation. The increased stacking fault densities (1.22 nm{sup −2}) with large perpendicular coercivity (6000 Oe) are obtained for samples preparedmore » at 650 °C. This present work shows through controlling stacking fault density in FePd film, the coercivity can be manipulated, which can be applied in future magnetic devices.« less

Temperature dependence of stacking faults in catalyst-free GaAs nanopillars.

PubMed

Shapiro, Joshua N; Lin, Andrew; Ratsch, Christian; Huffaker, D L

2013-11-29

Impressive opto-electronic devices and transistors have recently been fabricated from GaAs nanopillars grown by catalyst-free selective-area epitaxy, but this growth technique has always resulted in high densities of stacking faults. A stacking fault occurs when atoms on the growing (111) surface occupy the sites of a hexagonal-close-pack (hcp) lattice instead of the normal face-centered-cubic (fcc) lattice sites. When stacking faults occur consecutively, the crystal structure is locally wurtzite instead of zinc-blende, and the resulting band offsets are known to negatively impact device performance. Here we present experimental and theoretical evidence that indicate stacking fault formation is related to the size of the critical nucleus, which is temperature dependent. The difference in energy between the hcp and fcc orientation of small nuclei is computed using density-function theory. The minimum energy difference of 0.22 eV is calculated for a nucleus with 21 atoms, so the population of nuclei in the hcp orientation is expected to decrease as the nucleus grows larger. The experiment shows that stacking fault occurrence is dramatically reduced from 22% to 3% by raising the growth temperature from 730 to 790 ° C. These data are interpreted using classical nucleation theory which dictates a larger critical nucleus at higher growth temperature.

Stacking Fault Enriching the Electronic and Transport Properties of Few-Layer Phosphorenes and Black Phosphorus.

PubMed

Lei, Shuangying; Wang, Han; Huang, Lan; Sun, Yi-Yang; Zhang, Shengbai

2016-02-10

Interface engineering is critical for enriching the electronic and transport properties of two-dimensional materials. Here, we identify a new stacking, named Aδ, in few-layer phosphorenes (FLPs) and black phosphorus (BP) based on first-principles calculation. With its low formation energy, the Aδ stacking could exist in FLPs and BP as a stacking fault. The presence of the Aδ stacking fault induces a direct to indirect transition of the band gap in FLPs. It also affects the carrier mobilities by significantly increasing the carrier effective masses. More importantly, the Aδ stacking enables the fabrication of a whole spectrum of lateral junctions with all the type-I, II, and III alignments simply through the manipulation of the van der Waals stacking without resorting to any chemical modification. This is achieved by the widely tunable electron affinity and ionization potential of FLPs and BP with the Aδ stacking.

Suzuki segregation in a binary Cu-Si alloy.

PubMed

Mendis, Budhika G; Jones, Ian P; Smallman, Raymond E

2004-01-01

Suzuki segregation to stacking faults and coherent twin boundaries has been investigated in a Cu-7.15 at.% Si alloy, heat-treated at temperatures of 275, 400 and 550 degrees C, using field-emission gun transmission electron microscopy. Silicon enrichment was observed at the stacking fault plane and decreased monotonically with increasing annealing temperature. This increase in the concentration of solute at the fault is due to the stacking fault energy being lowered at higher values of the electron-to-atom ratio of the alloy. From a McLean isotherm, the binding energy for segregation was calculated to be -0.021 +/- 0.019 eV atom(-1). Hardly any segregation was observed to coherent twin boundaries in the same alloy. This is because a twin has a lower interfacial energy than a stacking fault, so that the driving force for segregation is diminished.

Depth-Dependent Earthquake Properties Beneath Long-Beach, CA: Implications for the Rheology at the Brittle-Ductile Transition Zone

NASA Astrophysics Data System (ADS)

Inbal, A.; Clayton, R. W.; Ampuero, J. P.

2015-12-01

Except for a few localities, seismicity along faults in southern California is generally confined to depths shallower than 15 km. Among faults hosting deep seismicity, the Newport-Inglewood Fault (NIF), which traverses the Los-Angeles basin, has an exceptionally mild surface expression and low deformation rates. Moreover, the NIF structure is not as well resolved as other, less well instrumented faults because of poor signal-to-noise ratio. Here we use data from three temporary dense seismic arrays, which were deployed for exploration purposes and contain up to several thousands of vertical geophones, to investigate the properties of deep seismicity beneath Long-Beach (LB), Compton and Santa-Fe Springs (SFS). The latter is located 15 km northeast of the NIF, presumably above a major detachment fault underthrusting the basin.Event detection is carried out using a new approach for microseismic multi-channel picking, in which downward-continued data are back-projected onto the volume beneath the arrays, and locations are derived from statistical analysis of back-projection images. Our technique reveals numerous, previously undetected events along the NIF, and confirms the presence of an active shallow structure gently dipping to the north beneath SFS. Seismicity characteristics vary along the NIF strike and dip. While LB seismicity is uncorrelated with the mapped trace of the NIF, Compton seismicity illuminates a sub-vertical fault that extends down to about 20 km. This result, along with the reported high flux of mantle Helium along the NIF (Boles et al., 2015), suggests that the NIF is deeply rooted and acts as a major conduit for mantle fluids. We find that the LB size distribution obeys the typical power-law at shallow depths, but falls off exponentially for events occurring below 20 km. Because deep seismicity occurs uniformly beneath LB, this transition is attributed to a reduction in seismic asperity density with increasing depth, consistent with a transition to a diffuse deformation regime.

Stacking Faults and Mechanical Behavior beyond the Elastic Limit of an Imidazole-Based Metal Organic Framework: ZIF-8.

PubMed

Hegde, Vinay I; Tan, Jin-Chong; Waghmare, Umesh V; Cheetham, Anthony K

2013-10-17

We determine the nonlinear mechanical behavior of a prototypical zeolitic imidazolate framework (ZIF-8) along two modes of mechanical failure in response to tensile and shear forces using first-principles simulations. Our generalized stacking fault energy surface reveals an intrinsic stacking fault of surprisingly low energy comparable to that in copper, though the energy barrier associated with its formation is much higher. The lack of vibrational spectroscopic evidence for such faults in experiments can be explained with the structural instability of the barrier state to form a denser and disordered state of ZIF-8 seen in our analysis, that is, large shear leads to its amorphization rather than formation of faults.

High spatial resolution correlated investigation of Zn segregation to stacking faults in ZnTe/CdSe nanostructures

NASA Astrophysics Data System (ADS)

Bonef, Bastien; Grenier, Adeline; Gerard, Lionel; Jouneau, Pierre-Henri; André, Regis; Blavette, Didier; Bougerol, Catherine

2018-02-01

The correlative use of atom probe tomography (APT) and energy dispersive x-ray spectroscopy in scanning transmission electron microscopy (STEM) allows us to characterize the structure of ZnTe/CdSe superlattices at the nanometre scale. Both techniques reveal the segregation of zinc along [111] stacking faults in CdSe layers, which is interpreted as a manifestation of the Suzuki effect. Quantitative measurements reveal a zinc enrichment around 9 at. % correlated with a depletion of cadmium in the stacking faults. Raw concentration data were corrected so as to account for the limited spatial resolution of both STEM and APT techniques. A simple calculation reveals that the stacking faults are almost saturated in Zn atoms (˜66 at. % of Zn) at the expense of Cd that is depleted.

Experimental and computational studies on stacking faults in zinc titanate

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

Sun, W.; Ageh, V.; Mohseni, H.

Zinc titanate (ZnTiO{sub 3}) thin films grown by atomic layer deposition with ilmenite structure have recently been identified as an excellent solid lubricant, where low interfacial shear and friction are achieved due to intrafilm shear velocity accommodation in sliding contacts. In this Letter, high resolution transmission electron microscopy with electron diffraction revealed that extensive stacking faults are present on ZnTiO{sub 3} textured (104) planes. These growth stacking faults serve as a pathway for dislocations to glide parallel to the sliding direction and hence achieve low interfacial shear/friction. Generalized stacking fault energy plots also known as γ-surfaces were computed for themore » (104) surface of ZnTiO{sub 3} using energy minimization method with classical effective partial charge potential and verified by using density functional theory first principles calculations for stacking fault energies along certain directions. These two are in qualitative agreement but classical simulations generally overestimate the energies. In addition, the lowest energy path was determined to be along the [451{sup ¯}] direction and the most favorable glide system is (104) 〈451{sup ¯}〉 that is responsible for the experimentally observed sliding-induced ductility.« less

Effect of stacking faults on the photoluminescence spectrum of zincblende GaN

NASA Astrophysics Data System (ADS)

Church, S. A.; Hammersley, S.; Mitchell, P. W.; Kappers, M. J.; Lee, L. Y.; Massabuau, F.; Sahonta, S. L.; Frentrup, M.; Shaw, L. J.; Wallis, D. J.; Humphreys, C. J.; Oliver, R. A.; Binks, D. J.; Dawson, P.

2018-05-01

The photoluminescence spectra of a zincblende GaN epilayer grown via metal-organic chemical vapour deposition upon 3C-SiC/Si (001) substrates were investigated. Of particular interest was a broad emission band centered at 3.4 eV, with a FWHM of 200 meV, which extends above the bandgap of both zincblende and wurtzite GaN. Photoluminescence excitation measurements show that this band is associated with an absorption edge centered at 3.6 eV. Photoluminescence time decays for the band are monoexponential, with lifetimes that reduce from 0.67 ns to 0.15 ns as the recombination energy increases. TEM measurements show no evidence of wurtzite GaN inclusions which are typically used to explain emission in this energy range. However, dense stacking fault bunches are present in the epilayers. A model for the band alignment at the stacking faults was developed to explain this emission band, showing how both electrons and holes can be confined adjacent to stacking faults. Different stacking fault separations can change the carrier confinement energies sufficiently to explain the width of the emission band, and change the carrier wavefunction overlap to account for the variation in decay time.

Characterization of individual straight and kinked boron carbide nanowires

NASA Astrophysics Data System (ADS)

Cui, Zhiguang

Boron carbides represent a class of ceramic materials with p-type semiconductor natures, complex structures and a wide homogeneous range of carbon compositions. Bulk boron carbides have long been projected as promising high temperature thermoelectric materials, but with limited performance. Bringing the bulk boron carbides to low dimensions (e.g., nanowires) is believed to be an option to enhance their thermoelectric performance because of the quantum size effects. However, the fundamental studies on the microstructure-thermal property relation of boron carbide nanowires are elusive. In this dissertation work, systematic structural characterization and thermal conductivity measurement of individual straight and kinked boron carbide nanowires were carried out to establish the true structure-thermal transport relation. In addition, a preliminary Raman spectroscopy study on identifying the defects in individual boron carbide nanowires was conducted. After the synthesis of single crystalline boron carbide nanowires, straight nanowires accompanied by the kinked ones were observed. Detailed structures of straight boron carbide nanowires have been reported, but not the kinked ones. After carefully examining tens of kinked nanowires utilizing Transmission Electron Microscopy (TEM), it was found that they could be categorized into five cases depending on the stacking faults orientations in the two arms of the kink: TF-TF, AF-TF, AF-AF, TF-IF and AF-IF kinks, in which TF, AF and IF denotes transverse faults (preferred growth direction perpendicular to the stacking fault planes), axial faults (preferred growth direction in parallel with the stacking fault planes) and inclined faults (preferred growth direction neither perpendicular to nor in parallel with the stacking fault planes). Simple structure models describing the characteristics of TF-TF, AF-TF, AF-AF kinked nanowires are constructed in SolidWorks, which help to differentiate the kinked nanowires viewed from the zone axes where stacking faults are invisible. In collaboration with the experts in the field of thermal property characterization of one dimensional nanostructures, thermal conductivities of over 60 nanowires including both straight and kinked ones have been measured in the temperature range of 20 - 420 K and the parameters (i.e., carbon contents, diameters, stacking faults densities/orientations and kinks) affecting the phonon transport were explored. The results disclose strong carbon content and diameter dependence of thermal conductivities of boron carbide nanowires, which decreases as lowering the carbon content and diameter. Stacking fault orientations do modulate the phonon transport (kappaTF < kappa AF), while stacking fault densities seems to only have obvious effects on phonon transport when meeting certain threshold ( 39%). The most interesting discovery is significant reduction of thermal conductivity (15% - 40%) in kinked boron carbide nanowires due to phonon mode conversions and scattering at the kink site. Last but not least, micro-Raman spectroscopy study on individual boron carbide nanowires has been performed for the first time, to the best of our knowledge. Based on the preliminary data, it is found that the stacking fault orientations have no apparent effect on the Raman scattering, but the stacking fault densities do. In addition, up as the size going down to nanoscale, some Raman modes are inactive while some new ones show up, which is largely ascribed to the quantum confinement effects. One more important finding is that the carbon content also plays important role in the Raman scattering of boron carbide nanowires in the low frequency region (< 600 cm-1), which mainly comes from the 3-atom chains (C-B-C or C-B-B).

In situ nanoindentation study on plasticity and work hardening in aluminium with incoherent twin boundaries.

PubMed

Bufford, D; Liu, Y; Wang, J; Wang, H; Zhang, X

2014-09-10

Nanotwinned metals have been the focus of intense research recently, as twin boundaries may greatly enhance mechanical strength, while maintaining good ductility, electrical conductivity and thermal stability. Most prior studies have focused on low stacking-fault energy nanotwinned metals with coherent twin boundaries. In contrast, the plasticity of twinned high stacking-fault energy metals, such as aluminium with incoherent twin boundaries, has not been investigated. Here we report high work hardening capacity and plasticity in highly twinned aluminium containing abundant Σ3{112} incoherent twin boundaries based on in situ nanoindentation studies in a transmission electron microscope and corresponding molecular dynamics simulations. The simulations also reveal drastic differences in deformation mechanisms between nanotwinned copper and twinned aluminium ascribed to stacking-fault energy controlled dislocation-incoherent twin boundary interactions. This study provides new insight into incoherent twin boundary-dominated plasticity in high stacking-fault energy twinned metals.

Stacking fault energies and slip in nanocrystalline metals.

PubMed

Van Swygenhoven, H; Derlet, P M; Frøseth, A G

2004-06-01

The search for deformation mechanisms in nanocrystalline metals has profited from the use of molecular dynamics calculations. These simulations have revealed two possible mechanisms; grain boundary accommodation, and intragranular slip involving dislocation emission and absorption at grain boundaries. But the precise nature of the slip mechanism is the subject of considerable debate, and the limitations of the simulation technique need to be taken into consideration. Here we show, using molecular dynamics simulations, that the nature of slip in nanocrystalline metals cannot be described in terms of the absolute value of the stacking fault energy-a correct interpretation requires the generalized stacking fault energy curve, involving both stable and unstable stacking fault energies. The molecular dynamics technique does not at present allow for the determination of rate-limiting processes, so the use of our calculations in the interpretation of experiments has to be undertaken with care.

Conjugated π electron engineering of generalized stacking fault in graphene and h-BN.

PubMed

Ouyang, Bin; Chen, Cheng; Song, J

2018-03-02

Generalized-stacking-fault energy (GSFE) serves as an important metric that prescribes dislocation behaviors in materials. In this paper, utilizing first-principle calculations and chemical bonding analysis, we studied the behaviors of generalized stacking fault in graphene and h-BN. It has been shown that the π bond formation plays a critical role in the existence of metastable stacking fault (MSF) in graphene and h-BN lattice along certain slip directions. Chemical functionalization was then proposed as an effective means to engineer the π bond, and subsequently MSF along dislocation slips within graphene and h-BN. Taking hydrogenation as a representative functionalization method, we demonstrated that, with the preferential adsorption of hydrogen along the slip line, π electrons along the slip would be saturated by adsorbed hydrogen atoms, leading to the moderation or elimination of MSF. Our study elucidates the atomic mechanism of MSF formation in graphene-like materials, and more generally, provides important insights towards predictive tuning of mechanic properties in two-dimensional nanomaterials.

Effect of vacancy defects on generalized stacking fault energy of fcc metals.

PubMed

Asadi, Ebrahim; Zaeem, Mohsen Asle; Moitra, Amitava; Tschopp, Mark A

2014-03-19

Molecular dynamics (MD) and density functional theory (DFT) studies were performed to investigate the influence of vacancy defects on generalized stacking fault (GSF) energy of fcc metals. MEAM and EAM potentials were used for MD simulations, and DFT calculations were performed to test the accuracy of different common parameter sets for MEAM and EAM potentials in predicting GSF with different fractions of vacancy defects. Vacancy defects were placed at the stacking fault plane or at nearby atomic layers. The effect of vacancy defects at the stacking fault plane and the plane directly underneath of it was dominant compared to the effect of vacancies at other adjacent planes. The effects of vacancy fraction, the distance between vacancies, and lateral relaxation of atoms on the GSF curves with vacancy defects were investigated. A very similar variation of normalized SFEs with respect to vacancy fractions were observed for Ni and Cu. MEAM potentials qualitatively captured the effect of vacancies on GSF.

Evolution of stacking fault tetrahedral and work hardening effect in copper single crystals

NASA Astrophysics Data System (ADS)

Liu, Hai Tao; Zhu, Xiu Fu; Sun, Ya Zhou; Xie, Wen Kun

2017-11-01

Stacking fault tetrahedral (SFT), generated in machining of copper single crystal as one type of subsurface defects, has significant influence on the performance of workpiece. In this study, molecular dynamics (MD) simulation is used to investigate the evolution of stacking fault tetrahedral in nano-cutting of copper single crystal. The result shows that SFT is nucleated at the intersection of differently oriented stacking fault (SF) planes and SFT evolves from the preform only containing incomplete surfaces into a solid defect. The evolution of SFT contains several stress fluctuations until the complete formation. Nano-indentation simulation is then employed on the machined workpiece from nano-cutting, through which the interaction between SFT and later-formed dislocations in subsurface is studied. In the meanwhile, force-depth curves obtained from nano-indentation on pristine and machined workpieces are compared to analyze the mechanical properties. By simulation of nano-cutting and nano-indentation, it is verified that SFT is a reason of the work hardening effect.

Strain-Driven Stacking Faults in CdSe/CdS Core/Shell Nanorods.

PubMed

Demortière, Arnaud; Leonard, Donovan N; Petkov, Valeri; Chapman, Karena; Chattopadhyay, Soma; She, Chunxing; Cullen, David A; Shibata, Tomohiro; Pelton, Matthew; Shevchenko, Elena V

2018-04-19

Colloidal semiconductor nanocrystals are commonly grown with a shell of a second semiconductor material to obtain desired physical properties, such as increased photoluminescence quantum yield. However, the growth of a lattice-mismatched shell results in strain within the nanocrystal, and this strain has the potential to produce crystalline defects. Here, we study CdSe/CdS core/shell nanorods as a model system to investigate the influence of core size and shape on the formation of stacking faults in the nanocrystal. Using a combination of high-angle annular dark-field scanning transmission electron microscopy and pair-distribution-function analysis of synchrotron X-ray scattering, we show that growth of the CdS shell on smaller, spherical CdSe cores results in relatively small strain and few stacking faults. By contrast, growth of the shell on larger, prolate spheroidal cores leads to significant strain in the CdS lattice, resulting in a high density of stacking faults.

Conjugated π electron engineering of generalized stacking fault in graphene and h-BN

NASA Astrophysics Data System (ADS)

Ouyang, Bin; Chen, Cheng; Song, J.

2018-03-01

Generalized-stacking-fault energy (GSFE) serves as an important metric that prescribes dislocation behaviors in materials. In this paper, utilizing first-principle calculations and chemical bonding analysis, we studied the behaviors of generalized stacking fault in graphene and h-BN. It has been shown that the π bond formation plays a critical role in the existence of metastable stacking fault (MSF) in graphene and h-BN lattice along certain slip directions. Chemical functionalization was then proposed as an effective means to engineer the π bond, and subsequently MSF along dislocation slips within graphene and h-BN. Taking hydrogenation as a representative functionalization method, we demonstrated that, with the preferential adsorption of hydrogen along the slip line, π electrons along the slip would be saturated by adsorbed hydrogen atoms, leading to the moderation or elimination of MSF. Our study elucidates the atomic mechanism of MSF formation in graphene-like materials, and more generally, provides important insights towards predictive tuning of mechanic properties in two-dimensional nanomaterials.

Zn-dopant dependent defect evolution in GaN nanowires

NASA Astrophysics Data System (ADS)

Yang, Bing; Liu, Baodan; Wang, Yujia; Zhuang, Hao; Liu, Qingyun; Yuan, Fang; Jiang, Xin

2015-10-01

Zn doped GaN nanowires with different doping levels (0, <1 at%, and 3-5 at%) have been synthesized through a chemical vapor deposition (CVD) process. The effect of Zn doping on the defect evolution, including stacking fault, dislocation, twin boundary and phase boundary, has been systematically investigated by transmission electron microscopy and first-principles calculations. Undoped GaN nanowires show a hexagonal wurtzite (WZ) structure with good crystallinity. Several kinds of twin boundaries, including (101&cmb.macr;3), (101&cmb.macr;1) and (202&cmb.macr;1), as well as Type I stacking faults (...ABABC&cmb.b.line;BCB...), are observed in the nanowires. The increasing Zn doping level (<1 at%) induces the formation of screw dislocations featuring a predominant screw component along the radial direction of the GaN nanowires. At high Zn doping level (3-5 at%), meta-stable cubic zinc blende (ZB) domains are generated in the WZ GaN nanowires. The WZ/ZB phase boundary (...ABABAC&cmb.b.line;BA...) can be identified as Type II stacking faults. The density of stacking faults (both Type I and Type II) increases with increasing the Zn doping levels, which in turn leads to a rough-surface morphology in the GaN nanowires. First-principles calculations reveal that Zn doping will reduce the formation energy of both Type I and Type II stacking faults, favoring their nucleation in GaN nanowires. An understanding of the effect of Zn doping on the defect evolution provides an important method to control the microstructure and the electrical properties of p-type GaN nanowires.Zn doped GaN nanowires with different doping levels (0, <1 at%, and 3-5 at%) have been synthesized through a chemical vapor deposition (CVD) process. The effect of Zn doping on the defect evolution, including stacking fault, dislocation, twin boundary and phase boundary, has been systematically investigated by transmission electron microscopy and first-principles calculations. Undoped GaN nanowires show a hexagonal wurtzite (WZ) structure with good crystallinity. Several kinds of twin boundaries, including (101&cmb.macr;3), (101&cmb.macr;1) and (202&cmb.macr;1), as well as Type I stacking faults (...ABABC&cmb.b.line;BCB...), are observed in the nanowires. The increasing Zn doping level (<1 at%) induces the formation of screw dislocations featuring a predominant screw component along the radial direction of the GaN nanowires. At high Zn doping level (3-5 at%), meta-stable cubic zinc blende (ZB) domains are generated in the WZ GaN nanowires. The WZ/ZB phase boundary (...ABABAC&cmb.b.line;BA...) can be identified as Type II stacking faults. The density of stacking faults (both Type I and Type II) increases with increasing the Zn doping levels, which in turn leads to a rough-surface morphology in the GaN nanowires. First-principles calculations reveal that Zn doping will reduce the formation energy of both Type I and Type II stacking faults, favoring their nucleation in GaN nanowires. An understanding of the effect of Zn doping on the defect evolution provides an important method to control the microstructure and the electrical properties of p-type GaN nanowires. Electronic supplementary information (ESI) available: HRTEM image of undoped GaN nanowires and first-principles calculations of Zn doped WZ-GaN. See DOI: 10.1039/c5nr04771d

Floating stacking faults on the (111) surface of FCC metals: a finite-temperature first-principles study

NASA Astrophysics Data System (ADS)

Rechtsman, Mikael; de Gironcoli, Stefano; Ceder, Gerbrand; Marzari, Nicola

2003-03-01

The (111) surfaces of FCC metals can develop anomalous thermal expansion properties at high temperatures (e.g. for the case of Ag(111)), and display floating stacking faults during homoepitaxial growth in the presence of surfactants. Inspired by the results of high-temperature ensemble-DFT molecular dynamics simulations, we investigate here the relative stability of FCC and HCP stacking in simple and transition metals (Al, Ag, Zn), searching for a structural phase transition taking place at the surface layer in the high-temperature regime. We use a combination of total-energy structural relaxations and linear-response perturbation theory to determine the surface phonon dispersions, and then the relative free energies in the quasi-harmonic approximation. Our results in Al show that the vibrational entropy strongly favors HCP stacking, substantially offsetting the energetic cost of the stacking fault that becomes favored close to the melting temperature. Besides its fundamental interest, HCP phonon softening is relevant in determining the relative stability of small islands during homoeptiaxial growth.

Determination of the gaseous hydrogen ductile-brittle transition in copper-nickel alloys

NASA Technical Reports Server (NTRS)

Parr, R. A.; Johnston, M. H.; Davis, J. H.; Oh, T. K.

1985-01-01

A series of copper-nickel alloys were fabricated, notched tensile specimens machined for each alloy, and the specimens tested in 34.5 MPa hydrogen and in air. A notched tensile ratio was determined for each alloy and the hydrogen environment embrittlement (HEE) determined for the alloys of 47.7 weight percent nickel to 73.5 weight percent nickel. Stacking fault probability and stacking fault energies were determined for each alloy using the x ray diffraction line shift and line profiles technique. Hydrogen environment embrittlement was determined to be influenced by stacking fault energies; however, the correlation is believed to be indirect and only partially responsible for the HEE behavior of these alloys.

Model-based diagnosis through Structural Analysis and Causal Computation for automotive Polymer Electrolyte Membrane Fuel Cell systems

NASA Astrophysics Data System (ADS)

Polverino, Pierpaolo; Frisk, Erik; Jung, Daniel; Krysander, Mattias; Pianese, Cesare

2017-07-01

The present paper proposes an advanced approach for Polymer Electrolyte Membrane Fuel Cell (PEMFC) systems fault detection and isolation through a model-based diagnostic algorithm. The considered algorithm is developed upon a lumped parameter model simulating a whole PEMFC system oriented towards automotive applications. This model is inspired by other models available in the literature, with further attention to stack thermal dynamics and water management. The developed model is analysed by means of Structural Analysis, to identify the correlations among involved physical variables, defined equations and a set of faults which may occur in the system (related to both auxiliary components malfunctions and stack degradation phenomena). Residual generators are designed by means of Causal Computation analysis and the maximum theoretical fault isolability, achievable with a minimal number of installed sensors, is investigated. The achieved results proved the capability of the algorithm to theoretically detect and isolate almost all faults with the only use of stack voltage and temperature sensors, with significant advantages from an industrial point of view. The effective fault isolability is proved through fault simulations at a specific fault magnitude with an advanced residual evaluation technique, to consider quantitative residual deviations from normal conditions and achieve univocal fault isolation.

Shear response of Σ3{112} twin boundaries in face-centered-cubic metals

NASA Astrophysics Data System (ADS)

Wang, J.; Misra, A.; Hirth, J. P.

2011-02-01

Molecular statics and dynamics simulations were used to study the mechanisms of sliding and migration of Σ3{112} incoherent twin boundaries (ITBs) under applied shear acting in the boundary in the face-centered-cubic (fcc) metals, Ag, Cu, Pd, and Al, of varying stacking fault energies. These studies revealed that (i) ITBs can dissociate into two phase boundaries (PBs), bounding the hexagonal 9R phase, that contain different arrays of partial dislocations; (ii) the separation distance between the two PBs scales inversely with increasing stacking fault energy; (iii) for fcc metals with low stacking fault energy, one of the two PBs migrates through the collective glide of partials, referred to as the phase-boundary-migration (PBM) mechanism; (iv) for metals with high stacking energy, ITBs experience a coupled motion (migration and sliding) through the glide of interface disconnections, referred to as the interface-disconnection-glide (IDG) mechanism.

Zn-dopant dependent defect evolution in GaN nanowires.

PubMed

Yang, Bing; Liu, Baodan; Wang, Yujia; Zhuang, Hao; Liu, Qingyun; Yuan, Fang; Jiang, Xin

2015-10-21

Zn doped GaN nanowires with different doping levels (0, <1 at%, and 3-5 at%) have been synthesized through a chemical vapor deposition (CVD) process. The effect of Zn doping on the defect evolution, including stacking fault, dislocation, twin boundary and phase boundary, has been systematically investigated by transmission electron microscopy and first-principles calculations. Undoped GaN nanowires show a hexagonal wurtzite (WZ) structure with good crystallinity. Several kinds of twin boundaries, including (101¯3), (101¯1) and (202¯1), as well as Type I stacking faults (…ABABCBCB…), are observed in the nanowires. The increasing Zn doping level (<1 at%) induces the formation of screw dislocations featuring a predominant screw component along the radial direction of the GaN nanowires. At high Zn doping level (3-5 at%), meta-stable cubic zinc blende (ZB) domains are generated in the WZ GaN nanowires. The WZ/ZB phase boundary (…ABABACBA…) can be identified as Type II stacking faults. The density of stacking faults (both Type I and Type II) increases with increasing the Zn doping levels, which in turn leads to a rough-surface morphology in the GaN nanowires. First-principles calculations reveal that Zn doping will reduce the formation energy of both Type I and Type II stacking faults, favoring their nucleation in GaN nanowires. An understanding of the effect of Zn doping on the defect evolution provides an important method to control the microstructure and the electrical properties of p-type GaN nanowires.

Segregation and Phase Transformations Along Superlattice Intrinsic Stacking Faults in Ni-Based Superalloys

NASA Astrophysics Data System (ADS)

Smith, T. M.; Esser, B. D.; Good, B.; Hooshmand, M. S.; Viswanathan, G. B.; Rae, C. M. F.; Ghazisaeidi, M.; McComb, D. W.; Mills, M. J.

2018-06-01

In this study, local chemical and structural changes along superlattice intrinsic stacking faults combine to represent an atomic-scale phase transformation. In order to elicit stacking fault shear, creep tests of two different single crystal Ni-based superalloys, ME501 and CMSX-4, were performed near 750 °C using stresses of 552 and 750 MPa, respectively. Through high-resolution scanning transmission electron microscopy (STEM) and state-of-the-art energy dispersive X-ray spectroscopy, ordered compositional changes were measured along SISFs in both alloys. For both instances, the elemental segregation and local crystal structure present along the SISFs are consistent with a nanoscale γ' to D019 phase transformation. Other notable observations are prominent γ-rich Cottrell atmospheres and new evidence of more complex reordering processes responsible for the formation of these faults. These findings are further supported using density functional theory calculations and high-angle annular dark-field (HAADF)-STEM image simulations.

X-ray analysis of temperature induced defect structures in boron implanted silicon

NASA Astrophysics Data System (ADS)

Sztucki, M.; Metzger, T. H.; Kegel, I.; Tilke, A.; Rouvière, J. L.; Lübbert, D.; Arthur, J.; Patel, J. R.

2002-10-01

We demonstrate the application of surface sensitive diffuse x-ray scattering under the condition of grazing incidence and exit angles to investigate growth and dissolution of near-surface defects after boron implantation in silicon(001) and annealing. Silicon wafers were implanted with a boron dose of 6×1015 ions/cm2 at 32 keV and went through different annealing treatments. From the diffuse intensity close to the (220) surface Bragg peak we reveal the nature and kinetic behavior of the implantation induced defects. Analyzing the q dependence of the diffuse scattering, we are able to distinguish between point defect clusters and extrinsic stacking faults on {111} planes. Characteristic for stacking faults are diffuse x-ray intensity streaks along <111> directions, which allow for the determination of their growth and dissolution kinetics. For the annealing conditions of our crystals, we conclude that the kinetics of growth can be described by an Ostwald ripening model in which smaller faults shrink at the expense of the larger stacking faults. The growth is found to be limited by the self-diffusion of silicon interstitials. After longer rapid thermal annealing the stacking faults disappear almost completely without shrinking, most likely by transformation into perfect loops via a dislocation reaction. This model is confirmed by complementary cross-sectional transmission electron microscopy.

Crystal structure of stacking faults in InGaAs/InAlAs/InAs heterostructures

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

Trunkin, I. N.; Presniakov, M. Yu.; Vasiliev, A. L., E-mail: a.vasiliev56@gmail.com

Stacking faults and dislocations in InGaAs/InAlAs/InAs heterostructures have been studied by electron microscopy. The use of different techniques of transmission electron microscopy (primarily, highresolution dark-field scanning transmission electron microscopy) has made it possible to determine the defect structure at the atomic level.

In-situ observation of stacking fault evolution in vacuum-deposited C60

NASA Astrophysics Data System (ADS)

Hardigree, J. F. M.; Ramirez, I. R.; Mazzotta, G.; Nicklin, C.; Riede, M.

2017-12-01

We report an in-situ study of stacking fault evolution in C60 thin films using grazing-incidence x-ray scattering. A Williamson-Hall analysis of the main scattering features during growth of a 15 nm film on glass indicates lattice strain as high as 6% in the first 5 nm of the film, with a decrease to 2% beyond 8 nm thickness. Deformation stacking faults along the {220} plane are found to occur with 68% probability and closely linked to the formation of a nanocrystalline powder-like film. Our findings, which capture monolayer-resolution growth, are consistent with previous work on crystalline and powder C60 films, and provide a crystallographic context for the real-time study of organic semiconductor thin films.

A resolvable subfilter-scale model specific to large-eddy simulation of under-resolved turbulence

NASA Astrophysics Data System (ADS)

Zhou, Yong; Brasseur, James G.; Juneja, Anurag

2001-09-01

Large-eddy simulation (LES) of boundary-layer flows has serious deficiencies near the surface when a viscous sublayer either does not exist (rough walls) or is not practical to resolve (high Reynolds numbers). In previous work, we have shown that the near-surface errors arise from the poor performance of algebraic subfilter-scale (SFS) models at the first several grid levels, where integral scales are necessarily under-resolved and the turbulence is highly anisotropic. In under-resolved turbulence, eddy viscosity and similarity SFS models create a spurious feedback loop between predicted resolved-scale (RS) velocity and modeled SFS acceleration, and are unable to simultaneously capture SFS acceleration and RS-SFS energy flux. To break the spurious coupling in a dynamically meaningful manner, we introduce a new modeling strategy in which the grid-resolved subfilter velocity is estimated from a separate dynamical equation containing the essential inertial interactions between SFS and RS velocity. This resolved SFS (RSFS) velocity is then used as a surrogate for the complete SFS velocity in the SFS stress tensor. We test the RSFS model by comparing LES of highly under-resolved anisotropic buoyancy-generated homogeneous turbulence with a corresponding direct numerical simulation (DNS). The new model successfully suppresses the spurious feedback loop between RS velocity and SFS acceleration, and greatly improves model predictions of the anisotropic structure of SFS acceleration and resolved velocity fields. Unlike algebraic models, the RSFS model accurately captures SFS acceleration intensity and RS-SFS energy flux, even during the nonequilibrium transient, and properly partitions SFS acceleration between SFS stress divergence and SFS pressure force.

Generalized-stacking-fault energy and twin-boundary energy of hexagonal close-packed Au: A first-principles calculation.

PubMed

Wang, Cheng; Wang, Huiyuan; Huang, Tianlong; Xue, Xuena; Qiu, Feng; Jiang, Qichuan

2015-05-22

Although solid Au is usually most stable as a face-centered cubic (fcc) structure, pure hexagonal close-packed (hcp) Au has been successfully fabricated recently. However, the phase stability and mechanical property of this new material are unclear, which may restrict its further applications. Here we present the evidence that hcp → fcc phase transformation can proceed easily in Au by first-principles calculations. The extremely low generalized-stacking-fault (GSF) energy in the basal slip system implies a great tendency to form basal stacking faults, which opens the door to phase transformation from hcp to fcc. Moreover, the Au lattice extends slightly within the superficial layers due to the self-assembly of alkanethiolate species on hcp Au (0001) surface, which may also contribute to the hcp → fcc phase transformation. Compared with hcp Mg, the GSF energies for non-basal slip systems and the twin-boundary (TB) energies for and twins are larger in hcp Au, which indicates the more difficulty in generating non-basal stacking faults and twins. The findings provide new insights for understanding the nature of the hcp → fcc phase transformation and guide the experiments of fabricating and developing materials with new structures.

Inverse scattering pre-stack depth imaging and it's comparison to some depth migration methods for imaging rich fault complex structure

NASA Astrophysics Data System (ADS)

Nurhandoko, Bagus Endar B.; Sukmana, Indriani; Mubarok, Syahrul; Deny, Agus; Widowati, Sri; Kurniadi, Rizal

2012-06-01

Migration is important issue for seismic imaging in complex structure. In this decade, depth imaging becomes important tools for producing accurate image in depth imaging instead of time domain imaging. The challenge of depth migration method, however, is in revealing the complex structure of subsurface. There are many methods of depth migration with their advantages and weaknesses. In this paper, we show our propose method of pre-stack depth migration based on time domain inverse scattering wave equation. Hopefully this method can be as solution for imaging complex structure in Indonesia, especially in rich thrusting fault zones. In this research, we develop a recent advance wave equation migration based on time domain inverse scattering wave which use more natural wave propagation using scattering wave. This wave equation pre-stack depth migration use time domain inverse scattering wave equation based on Helmholtz equation. To provide true amplitude recovery, an inverse of divergence procedure and recovering transmission loss are considered of pre-stack migration. Benchmarking the propose inverse scattering pre-stack depth migration with the other migration methods are also presented, i.e.: wave equation pre-stack depth migration, waveequation depth migration, and pre-stack time migration method. This inverse scattering pre-stack depth migration could image successfully the rich fault zone which consist extremely dip and resulting superior quality of seismic image. The image quality of inverse scattering migration is much better than the others migration methods.

Tight-binding study of stacking fault energies and the Rice criterion of ductility in the fcc metals

NASA Astrophysics Data System (ADS)

Mehl, Michael J.; Papaconstantopoulos, Dimitrios A.; Kioussis, Nicholas; Herbranson, M.

2000-02-01

We have used the Naval Research Laboratory (NRL) tight-binding (TB) method to calculate the generalized stacking fault energy and the Rice ductility criterion in the fcc metals Al, Cu, Rh, Pd, Ag, Ir, Pt, Au, and Pb. The method works well for all classes of metals, i.e., simple metals, noble metals, and transition metals. We compared our results with full potential linear-muffin-tin orbital and embedded atom method (EAM) calculations, as well as experiment, and found good agreement. This is impressive, since the NRL-TB approach only fits to first-principles full-potential linearized augmented plane-wave equations of state and band structures for cubic systems. Comparable accuracy with EAM potentials can be achieved only by fitting to the stacking fault energy.

Growth of non-polar and semi-polar gallium nitride with plasma assisted molecular beam epitaxy: Relatonships between film microstructure, reciprocal lattice and transport properties

NASA Astrophysics Data System (ADS)

McLaurin, Melvin Barker

2007-12-01

The group-III nitrides exhibit significant spontaneous and piezoelectric polarization parallel to the [0001] direction, which are manifested as sheet charges at heterointerfaces. While polarization can be used to engineer the band-structure of a device, internal electric fields generated by polarization discontinuities can also have a number of negative consequences for the performance and design of structures utilizing heterojunctions. The most direct route to polarization free group-III nitride devices is growth on either one of the "non-polar" prismatic faces of the crystal (m-plane (1010) or a-plane (1120)) where the [0001] direction lies in the plane of any heterointerfaces. This dissertation focuses on the growth of non-polar and semi-polar GaN by MBE and on how the dominant feature of the defect structure of non-polar and semi-polar films, basal plane stacking faults, determines the properties of the reciprocal lattice and electrical transport of the films. The first part is a survey of the MBE growth of the two non-polar planes (10 10) and (1120) and three semi-polar planes (1011), (1013) and {11 22} investigated in this work. The relationship between basal plane stacking faults and broadening of the reciprocal lattice is discussed and measured with X-ray diffraction using a lateral-variant of the Williamson-Hall analysis. The electrical properties of m-plane films are investigated using Hall-effect and TLM measurements. Anisotropic mobilities were observed for both electrons and holes along with record p-type conductivities and hole concentrations. By comparison to both inversion-domain free c-plane films and stacking-fault-free free-standing m-plane GaN wafers it was determined that basal plane stacking faults were the source of both the enhanced p-type conductivity and the anisotropic carrier mobilities. Finally, we propose a possible source of anisotropic mobilities and enhanced p-type conduction in faulted films is proposed. Basal plane stacking faults are treated as heterostructures of the wurtzite and zincblende polytypes of GaN. The band parameter and polarization differences between the polytypes result in large offsets in both the conduction and valence band edges at the stacking faults. Anisotropy results from scattering from the band-edge offsets and enhanced mobility from screening due to charge accumulation at these band edge offsets.

Stacking fault induced tunnel barrier in platelet graphite nanofiber

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

Lan, Yann-Wen, E-mail: chiidong@phys.sinica.edu.tw, E-mail: ywlan@phys.sinica.edu.tw; Chang, Yuan-Chih; Chang, Chia-Seng

A correlation study using image inspection and electrical characterization of platelet graphite nanofiber devices is conducted. Close transmission electron microscopy and diffraction pattern inspection reveal layers with inflection angles appearing in otherwise perfectly stacked graphene platelets, separating nanofibers into two domains. Electrical measurement gives a stability diagram consisting of alternating small-large Coulomb blockade diamonds, suggesting that there are two charging islands coupled together through a tunnel junction. Based on these two findings, we propose that a stacking fault can behave as a tunnel barrier for conducting electrons and is responsible for the observed double-island single electron transistor characteristics.

Energetics analysis of interstitial loops in single-phase concentrated solid-solution alloys

NASA Astrophysics Data System (ADS)

Wang, Xin-Xin; Niu, Liang-Liang; Wang, Shaoqing

2018-04-01

Systematic energetics analysis on the shape preference, relative stability and radiation-induced segregation of interstitial loops in nickel-containing single-phase concentrated solid-solution alloys have been conducted using atomistic simulations. It is shown that the perfect loops prefer rhombus shape for its low potential energy, while the Frank faulted loops favor ellipse for its low potential energy and the possible large configurational entropy. The decrease of stacking fault energy with increasing compositional complexity provides the energetic driving force for the formation of faulted loops, which, in conjunction with the kinetic factors, explains the experimental observation that the fraction of faulted loops rises with increasing compositional complexity. Notably, the kinetics is primarily responsible for the absence of faulted loops in nickel-cobalt with a very low stacking fault energy. We further demonstrate that the simultaneous nickel enrichment and iron/chromium depletion on interstitial loops can be fully accounted for by their energetics.

Permian to recent volcanism in northern sumatra, indonesia: a preliminary study of its distribution, chemistry, and peculiarities

NASA Astrophysics Data System (ADS)

Rock, N. M. S.; Syah, H. H.; Davis, A. E.; Hutchison, D.; Styles, M. T.; Lena, Rahayu

1982-06-01

Sumatra has been a ‘volcanic arc’, above an NE-dipping subduction zone, since at least the Late Permian. The principal volcanic episodes in Sumatra N of the Equator have been in the Late Permian, Late Mesozoic, Palaeogene, Miocene and Quaternary. Late Permian volcanic rocks, of limited extent, are altered porphyritic basic lavas interstratified with limestones and phyllites. Late Mesozoic volcanic rocks, widely distributed along and W of the major transcurrent. Sumatra Fault System (SFS), which axially bisects Sumatra, include ophiolite-related spilites, andesites and basalts. Possible Palaeogene volcanic rocks include an altered basalt pile with associated dyke-swarm in the extreme NW, intruded by an Early Miocene (19 my) dioritic stock; and variable pyroxene rich basic lavas and agglomerates ranging from alkali basaltic to absarokitic in the extreme SW. Miocene volcanic rocks, widely distributed (especially W of the SFS), and cropping out extensively along the W coast, include calc-alkaline to high-K calc-alkaline basalts, andesites and dacites. Quaternary volcanoes (3 active, 14 dormant or extinct) are irregularly distributed both along and across the arc; thus they lie fore-arc of the SFS near the Equator but well back-arc farther north. The largest concentration of centres, around Lake Toba, includes the >2000 km3 Pleistocene rhyolitic Toba Tuffs. Quaternary volcanics are mainly calc-alkaline andesites, dacites and rhyolites with few basalts; they seem less variable, but on the whole more acid, than the Tertiary. The Quaternary volcanism is anomalous in relation to both southern Sumatra and adjacent Java/Bali: in southern Sumatra, volcanoes are regularly spaced along and successively less active away from the SFS, but neither rule holds in northern Sumatra. Depths to the subduction zone below major calc-alkaline volcanoes in Java/Bali are 160-210 km, but little over 100 km in northern Sumatra, which also lacks the regular K2O-depth correlations seen in Java. These anomalies may arise because Sumatra — being underlain by continental crust — is more akin to destructive continental margins than typical island-arcs such as E Java or Bali, and because the Sumatran subduction zone has a peculiar structure due to the oblique approach of the subducting plate. A further anomaly — an E-W belt of small centres along the back-arc coast — may relate to an incipient S-dipping subduction zone N of Sumatra and not the main NE-dipping zone to its W. Correlation of the Tertiary volcanism with the present tectonic regime is hazardous, but the extensive W coastal volcanism (which includes rather alkaline lavas) is particularly anomalous in relation to the shallow depth (<100 km) of the present subduction zone. The various outcrops may owe their present locations to extensive fault movements (especially along the SFS), to the peculiar structure of the fore-arc (suggested by equally anomalous Sn- and W-bearing granitic batholiths also along the W coast), or they may not be subduction-related at all.

Effect of Na presence during CuInSe{sub 2} growth on stacking fault annihilation and electronic properties

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

Stange, H., E-mail: helena.stange@helmholtz-berlin.de; Brunken, S.; Hempel, H.

While presence of Na is essential for the performance of high-efficiency Cu(In,Ga)Se{sub 2} thin film solar cells, the reasons why addition of Na by post-deposition treatment is superior to pre-deposition Na supply—particularly at low growth temperatures—are not yet fully understood. Here, we show by X-ray diffraction and electron microscopy that Na impedes annihilation of stacking faults during the Cu-poor/Cu-rich transition of low temperature 3-stage co-evaporation and prevents Cu homogeneity on a microscopic level. Lower charge carrier mobilities are found by optical pump terahertz probe spectroscopy for samples with remaining high stacking fault density, indicating a detrimental effect on electronic propertiesmore » if Na is present during growth.« less

High-velocity projectile impact induced 9R phase in ultrafine-grained aluminium.

PubMed

Xue, Sichuang; Fan, Zhe; Lawal, Olawale B; Thevamaran, Ramathasan; Li, Qiang; Liu, Yue; Yu, K Y; Wang, Jian; Thomas, Edwin L; Wang, Haiyan; Zhang, Xinghang

2017-11-21

Aluminium typically deforms via full dislocations due to its high stacking fault energy. Twinning in aluminium, although difficult, may occur at low temperature and high strain rate. However, the 9R phase rarely occurs in aluminium simply because of its giant stacking fault energy. Here, by using a laser-induced projectile impact testing technique, we discover a deformation-induced 9R phase with tens of nm in width in ultrafine-grained aluminium with an average grain size of 140 nm, as confirmed by extensive post-impact microscopy analyses. The stability of the 9R phase is related to the existence of sessile Frank loops. Molecular dynamics simulations reveal the formation mechanisms of the 9R phase in aluminium. This study sheds lights on a deformation mechanism in metals with high stacking fault energies.

Generalized-stacking-fault energy and twin-boundary energy of hexagonal close-packed Au: A first-principles calculation

PubMed Central

Wang, Cheng; Wang, Huiyuan; Huang, Tianlong; Xue, Xuena; Qiu, Feng; Jiang, Qichuan

2015-01-01

Although solid Au is usually most stable as a face-centered cubic (fcc) structure, pure hexagonal close-packed (hcp) Au has been successfully fabricated recently. However, the phase stability and mechanical property of this new material are unclear, which may restrict its further applications. Here we present the evidence that hcp → fcc phase transformation can proceed easily in Au by first-principles calculations. The extremely low generalized-stacking-fault (GSF) energy in the basal slip system implies a great tendency to form basal stacking faults, which opens the door to phase transformation from hcp to fcc. Moreover, the Au lattice extends slightly within the superficial layers due to the self-assembly of alkanethiolate species on hcp Au (0001) surface, which may also contribute to the hcp → fcc phase transformation. Compared with hcp Mg, the GSF energies for non-basal slip systems and the twin-boundary (TB) energies for and twins are larger in hcp Au, which indicates the more difficulty in generating non-basal stacking faults and twins. The findings provide new insights for understanding the nature of the hcp → fcc phase transformation and guide the experiments of fabricating and developing materials with new structures. PMID:25998415

Mining dynamic noteworthy functions in software execution sequences.

PubMed

Zhang, Bing; Huang, Guoyan; Wang, Yuqian; He, Haitao; Ren, Jiadong

2017-01-01

As the quality of crucial entities can directly affect that of software, their identification and protection become an important premise for effective software development, management, maintenance and testing, which thus contribute to improving the software quality and its attack-defending ability. Most analysis and evaluation on important entities like codes-based static structure analysis are on the destruction of the actual software running. In this paper, from the perspective of software execution process, we proposed an approach to mine dynamic noteworthy functions (DNFM)in software execution sequences. First, according to software decompiling and tracking stack changes, the execution traces composed of a series of function addresses were acquired. Then these traces were modeled as execution sequences and then simplified so as to get simplified sequences (SFS), followed by the extraction of patterns through pattern extraction (PE) algorithm from SFS. After that, evaluating indicators inner-importance and inter-importance were designed to measure the noteworthiness of functions in DNFM algorithm. Finally, these functions were sorted by their noteworthiness. Comparison and contrast were conducted on the experiment results from two traditional complex network-based node mining methods, namely PageRank and DegreeRank. The results show that the DNFM method can mine noteworthy functions in software effectively and precisely.

Influence of preliminary ultrasonic treatment upon the steady-state creep of metals of different stacking fault energies.

PubMed

Rusinko, A

2014-01-01

This paper addresses the issue of the ultrasound effects upon the creep deformation of metals with different levels of stacking fault energy. The influence of preliminary ultrasound irradiation time upon the steady state creep rate is considered. Synthetic theory of irrecoverable deformation is taken as a mathematical apparatus. The analytical results show good agreement with experimental data. Copyright © 2013 Elsevier B.V. All rights reserved.

Solute effect on basal and prismatic slip systems of Mg.

PubMed

Moitra, Amitava; Kim, Seong-Gon; Horstemeyer, M F

2014-11-05

In an effort to design novel magnesium (Mg) alloys with high ductility, we present a first principles data based on the Density Functional Theory (DFT). The DFT was employed to calculate the generalized stacking fault energy curves, which can be used in the generalized Peierls-Nabarro (PN) model to study the energetics of basal slip and prismatic slip in Mg with and without solutes to calculate continuum scale dislocation core widths, stacking fault widths and Peierls stresses. The generalized stacking fault energy curves for pure Mg agreed well with other DFT calculations. Solute effects on these curves were calculated for nine alloying elements, namely Al, Ca, Ce, Gd, Li, Si, Sn, Zn and Zr, which allowed the strength and ductility to be qualitatively estimated based on the basal dislocation properties. Based on our multiscale methodology, a suggestion has been made to improve Mg formability.

Electronically decoupled stacking fault tetrahedra embedded in Au(111) films

PubMed Central

Schouteden, Koen; Amin-Ahmadi, Behnam; Li, Zhe; Muzychenko, Dmitry; Schryvers, Dominique; Van Haesendonck, Chris

2016-01-01

Stacking faults are known as defective structures in crystalline materials that typically lower the structural quality of the material. Here, we show that a particular type of defect, that is, stacking fault tetrahedra (SFTs), exhibits pronounced quantized electronic behaviour, revealing a potential synthetic route to decoupled nanoparticles in metal films. We report on the electronic properties of SFTs that exist in Au(111) films, as evidenced by scanning tunnelling microscopy and confirmed by transmission electron microscopy. We find that the SFTs reveal a remarkable decoupling from their metal surroundings, leading to pronounced energy level quantization effects within the SFTs. The electronic behaviour of the SFTs can be described well by the particle-in-a-box model. Our findings demonstrate that controlled preparation of SFTs may offer an alternative way to achieve well-decoupled nanoparticles of high crystalline quality in metal thin films without the need of thin insulating layers. PMID:28008910

Electronically decoupled stacking fault tetrahedra embedded in Au(111) films.

PubMed

Schouteden, Koen; Amin-Ahmadi, Behnam; Li, Zhe; Muzychenko, Dmitry; Schryvers, Dominique; Van Haesendonck, Chris

2016-12-23

Stacking faults are known as defective structures in crystalline materials that typically lower the structural quality of the material. Here, we show that a particular type of defect, that is, stacking fault tetrahedra (SFTs), exhibits pronounced quantized electronic behaviour, revealing a potential synthetic route to decoupled nanoparticles in metal films. We report on the electronic properties of SFTs that exist in Au(111) films, as evidenced by scanning tunnelling microscopy and confirmed by transmission electron microscopy. We find that the SFTs reveal a remarkable decoupling from their metal surroundings, leading to pronounced energy level quantization effects within the SFTs. The electronic behaviour of the SFTs can be described well by the particle-in-a-box model. Our findings demonstrate that controlled preparation of SFTs may offer an alternative way to achieve well-decoupled nanoparticles of high crystalline quality in metal thin films without the need of thin insulating layers.

Dislocation Ledge Sources: Dispelling the Myth of Frank-Read Source Importance

NASA Astrophysics Data System (ADS)

Murr, L. E.

2016-12-01

In the early 1960s, J.C.M. Li questioned the formation of dislocation pileups at grain boundaries, especially in high-stacking-fault free-energy fcc metals and alloys, and proposed grain boundary ledge sources for dislocations in contrast to Frank -Read sources. This article reviews these proposals and the evolution of compelling evidence for grain boundary or related interfacial ledge sources of dislocations in metals and alloys, including unambiguous observations using transmission electron microscopy. Such observations have allowed grain boundary ledge source emission profiles of dislocations to be quantified in 304 stainless steel (with a stacking-fault free energy of 23 mJ/m2) and nickel (with a stacking-fault free energy of 128 mJ/m2) as a function of engineering strain. The evidence supports the conclusion that FR dislocation sources are virtually absent in metal and alloy deformation with ledges at interfaces dominating as dislocation sources.

Structural instabilities and wrinkles at the grain boundaries in 2-D h-BN: a first-principles analysis.

PubMed

Singh, Anjali; Waghmare, Umesh V

2014-10-21

The structure of grain boundaries (GBs) or interfaces between nano-forms of carbon determines their evolution into 3-D forms with nano-scale architecture. Here, we present a general framework for the construction of interfaces in 2-D h-BN and graphene in terms of (a) stacking faults and (b) growth faults, using first-principles density functional theoretical analysis. Such interfaces or GBs involve deviation from their ideal hexagonal lattice structure. We show that a stacking fault involves a linkage of rhombal and octagonal rings (4 : 8), and a growth fault involves a linkage of paired pentagonal and octagonal rings (5 : 5 : 8). While a growth fault is energetically more stable than a stacking fault in graphene, the polarity of B and N leads to the reversal of their relative stability in h-BN. We show that the planar structure of these interfacing grains exhibits instability with respect to buckling (out-of-plane deformation), which results in the formation of a wrinkle at the grain boundary (GB) and rippling of the structure. Our analysis leads to prediction of new types of low-energy GBs of 2-D h-BN and graphene. Our results for electronic and vibrational signatures of these interfaces and an STM image of the most stable interface will facilitate their experimental characterization, particularly of the wrinkles forming spontaneously at these interfaces.

Application of Phase-Weighted Stacking to Low-Frequency Earthquakes near the Alpine Fault, Central Southern Alps, New Zealand

NASA Astrophysics Data System (ADS)

Baratin, L. M.; Townend, J.; Chamberlain, C. J.; Savage, M. K.

2015-12-01

Characterising seismicity in the vicinity of the Alpine Fault, a major transform boundary late in its typical earthquake cycle, may provide constraints on the state of stress preceding a large earthquake. Here, we use recently detected tremor and low-frequency earthquakes (LFEs) to examine how slow tectonic deformation is loading the Alpine Fault toward an anticipated major rupture. We work with a continuous seismic dataset collected between 2009 and 2012 from a network of short-period seismometers, the Southern Alps Microearthquake Borehole Array (SAMBA). Fourteen primary LFE templates have been used to scan the dataset using a matched-filter technique based on an iterative cross-correlation routine. This method allows the detection of similar signals and establishes LFE families with common hypocenter locations. The detections are then combined for each LFE family using phase-weighted stacking (Thurber et al., 2014) to produce a signal with the highest possible signal to noise ratio. We find this method to be successful in increasing the number of LFE detections by roughly 10% in comparison with linear stacking. Our next step is to manually pick polarities on first arrivals of the phase-weighted stacked signals and compute preliminary locations. We are working to estimate LFE focal mechanism parameters and refine the focal mechanism solutions using an amplitude ratio technique applied to the linear stacks. LFE focal mechanisms should provide new insight into the geometry and rheology of the Alpine Fault and the stress field prevailing in the central Southern Alps.

Disentangling vortex pinning landscape in chemical solution deposited superconducting YBa2Cu3O7-x films and nanocomposites

NASA Astrophysics Data System (ADS)

Palau, A.; Vallès, F.; Rouco, V.; Coll, M.; Li, Z.; Pop, C.; Mundet, B.; Gàzquez, J.; Guzman, R.; Gutierrez, J.; Obradors, X.; Puig, T.

2018-07-01

In-field angular pinning performances at different temperatures have been analysed on chemical solution deposited (CSD) YBa2Cu3O7-x (YBCO) pristine films and nanocomposites. We show that with this analysis we are able to quantify the vortex pinning strength and energies, associated with different kinds of natural and artificial pinning defects, acting as efficient pinning centres at different regions of the H-T phase diagram. A good quantification of the variety of pinning defects active at different temperatures and magnetic fields provides a unique tool to design the best vortex pinning landscape under different operating conditions. We have found that by artificially introducing a unique defect in the YBCO matrix, the stacking faults, we are able to modify three different contributions to vortex pinning (isotropic-strong, anisotropic-strong, and isotropic-weak). The isotropic-strong contribution, widely studied in CSD YBCO nanocomposites, is associated with nanostrained regions induced at the partial dislocations surrounding the stacking faults. Moreover, the stacking fault itself acts as a planar defect which provides a very effective anisotropic-strong pinning at H//ab. Finally, the large presence of Cu-O cluster vacancies found in the stacking faults have been revealed as a source of isotropic-weak pinning sites, very active at low temperatures and high fields.

Seizure freedom score: a new simple method to predict success of epilepsy surgery.

PubMed

Garcia Gracia, Camilo; Yardi, Ruta; Kattan, Michael W; Nair, Dileep; Gupta, Ajay; Najm, Imad; Bingaman, William; Gonzalez-Martinez, Jorge; Jehi, Lara

2015-03-01

We aim to develop a new scale that predicts seizure outcomes after resective epilepsy surgery. We retrospectively reviewed patients who underwent surgery for medically refractory epilepsy at our center between 1999 and 2012. Four predictive outcome indicators were selected: preoperative seizure frequency, history of generalized tonic-clonic seizures, brain magnetic resonance imaging (MRI), and epilepsy duration. A score of 0 or 1 was given if the indicator was associated with poor or good outcome, respectively. A seizure freedom score (SFS) was calculated by adding these four categories (total score ranged from 0 to 4). A modified SFS (m-SFS) was then calculated with two additional outcome indicators: invasive electroencephalography (EEG) evaluation (IEI) (performed or not performed) and lobe of resection (temporal vs. extratemporal), for a score ranging from 0 to 6. Kaplan-Meier survival analysis was used to calculate the probability of seizure freedom in the overall group. Statistical significance was tested using the log-rank test and comparison of 95% confidence intervals (CIs). The study population included 466 patients with 244 (52%) male. Seizure freedom rates were directly correlated with the SFS score: at 10 years, 36.9% of patients with SFS of 0 were seizure-free, as opposed to 45% for SFS = 1, 60% for SFS = 2, 72% for SFS 3 or above (p = 0.002). When calculated including the IEI and the localization, the score's performance improved: 24% of patients with a m-SFS of 0 were seizure-free at 10 years, as opposed to 38-59% for m-SFS = 1-3, and 75-79% for m-SFS of 4-6 (p < 0.001). An easily measurable seizure freedom score could be a reliable tool to synthesize multiple seizure outcome predictors into a single simple score to predict postoperative seizure freedom. This tool will help with patient and family counseling and estimation of surgical candidacy at both early (SFS) and advanced (m-SFS) stages of a surgical evaluation. Wiley Periodicals, Inc. © 2014 International League Against Epilepsy.

Low-Frequency Earthquakes Associated with the Late-Interseismic Central Alpine Fault, Southern Alps, New Zealand

NASA Astrophysics Data System (ADS)

Baratin, L. M.; Chamberlain, C. J.; Townend, J.; Savage, M. K.

2016-12-01

Characterising the seismicity associated with slow deformation in the vicinity of the Alpine Fault may provide constraints on the state of stress of this major transpressive margin prior to a large (≥M8) earthquake. Here, we use recently detected tremor and low-frequency earthquakes (LFEs) to examine how slow tectonic deformation is loading the Alpine Fault toward an anticipated large rupture. We initially work with a continous seismic dataset collected between 2009 and 2012 from an array of short-period seismometers, the Southern Alps Microearthquake Borehole Array. Fourteen primary LFE templates are used in an iterative matched-filter and stacking routine. This method allows the detection of similar signals and establishes LFE families with common locations. We thus generate a 36 month catalogue of 10718 LFEs. The detections are then combined for each LFE family using phase-weighted stacking to yield a signal with the highest possible signal to noise ratio. We found phase-weighted stacking to be successful in increasing the number of LFE detections by roughly 20%. Phase-weighted stacking also provides cleaner phase arrivals of apparently impulsive nature allowing more precise phase and polarity picks. We then compute improved non-linear earthquake locations using a 3D velocity model. We find LFEs to occur below the seismogenic zone at depths of 18-34 km, locating on or near the proposed deep extent of the Alpine Fault. Our next step is to estimate seismic source parameters by implementing a moment tensor inversion technique. Our focus is currently on generating a more extensive catalogue (spanning the years 2009 to 2016) using synthetic waveforms as primary templates, with which to detect LFEs. Initial testing shows that this technique paired up with phase-weighted stacking increases the number of LFE families and overall detected events roughly sevenfold. This catalogue should provide new insight into the geometry of the Alpine Fault and the prevailing stress field in the central Southern Alps.

Detailed fault structure of the Tarutung Pull-Apart Basin in Sumatra, Indonesia, derived from local earthquake data

NASA Astrophysics Data System (ADS)

Muksin, Umar; Haberland, Christian; Nukman, Mochamad; Bauer, Klaus; Weber, Michael

2014-12-01

The Tarutung Basin is located at a right step-over in the northern central segment of the dextral strike-slip Sumatran Fault System (SFS). Details of the fault structure along the Tarutung Basin are derived from the relocations of seismicity as well as from focal mechanism and structural geology. The seismicity distribution derived by a 3D inversion for hypocenter relocation is clustered according to a fault-like seismicity distribution. The seismicity is relocated with a double-difference technique (HYPODD) involving the waveform cross-correlations. We used 46,904 and 3191 arrival differences obtained from catalogue data and cross-correlation analysis, respectively. Focal mechanisms of events were analyzed by applying a grid search method (HASH code). Although there is no significant shift of the hypocenters (10.8 m in average) and centroids (167 m in average), the application of the double difference relocation sharpens the earthquake distribution. The earthquake lineation reflects the fault system, the extensional duplex fault system, and the negative flower structure within the Tarutung Basin. The focal mechanisms of events at the edge of the basin are dominantly of strike-slip type representing the dextral strike-slip Sumatran Fault System. The almost north-south striking normal fault events along extensional zones beneath the basin correlate with the maximum principal stress direction which is the direction of the Indo-Australian plate motion. The extensional zones form an en-echelon pattern indicated by the presence of strike-slip faults striking NE-SW to NW-SE events. The detailed characteristics of the fault system derived from the seismological study are also corroborated by structural geology at the surface.

Attentional bias to moving spiders in spider fearful individuals.

PubMed

Vrijsen, Janna N; Fleurkens, Pascal; Nieuwboer, Wieteke; Rinck, Mike

2009-05-01

We investigated if an attentional bias for spiders in spider fearful individuals (SFs) can also be found for moving spiders, rather than static images. In Study 1, 28 SFs and 33 non-anxious controls (NACs) participated in a modified version of the dot probe paradigm: they had to react to a probe that appeared either in the next, previous, or side position of a spider's or a wheel's path. 24 SFs and 29 NACs participated in Study 2, in which a fourth, highly predictable, probe position was added. We expected that moving spiders would capture the attention of SFs. In addition, we tested whether SFs try to predict the movement of the spider to make it less threatening. As expected, SFs showed an attentional bias towards moving spiders. However, both groups reacted fastest to unpredictable movements, indicating that SFs and NACs alike anticipate unpredictable spider movements.

The synchronous improvement of strength and plasticity (SISP) in new Ni-Co based disc superalloys by controling stacking fault energy.

PubMed

Xu, H; Zhang, Z J; Zhang, P; Cui, C Y; Jin, T; Zhang, Z F

2017-08-14

It is a great challenge to improve the strength of disc superalloys without great loss of plasticity together since the microstructures benefiting the strength always do not avail the plasticity. Interestingly, this study shows that the trade-off relationship between strength and plasticity can be broken through decreasing stacking fault energy (SFE) in newly developed Ni-Co based disc superalloys. Axial tensile tests in the temperature range of 25 to 725 °C were carried out in these alloys with Co content ranging from 5% to 23% (wt.%). It is found that the ultimate tensile strength (UTS) and uniform elongation (UE) are improved synchronously when microtwinning is activated by decreasing the SFE at 650 and 725 °C. In contrast, only UTS is improved when stacking fault (SF) dominates the plastic deformation at 25 and 400 °C. These results may be helpful for designing advanced disc superalloys with relatively excellent strength and plasticity simultaneously.

Mobility and coalescence of stacking fault tetrahedra in Cu

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

Martínez, Enrique; Uberuaga, Blas P.

Stacking fault tetrahedra (SFTs) are ubiquitous defects in face-centered cubic metals. They are produced during cold work plastic deformation, quenching experiments or under irradiation. From a dislocation point of view, the SFTs are comprised of a set of stair-rod dislocations at the (110) edges of a tetrahedron bounding triangular stacking faults. These defects are extremely stable, increasing their energetic stability as they grow in size. At the sizes visible within transmission electron microscope they appear nearly immobile. Contrary to common belief, we show in this report, using a combination of molecular dynamics and temperature accelerated dynamics, how small SFTs canmore » diffuse by temporarily disrupting their structure through activated thermal events. More over, we demonstrate that the diffusivity of defective SFTs is several orders of magnitude higher than perfect SFTs, and can be even higher than isolated vacancies. Finally, we show how SFTs can coalesce, forming a larger defect in what is a new mechanism for the growth of these omnipresent defects.« less

Mobility and coalescence of stacking fault tetrahedra in Cu

DOE PAGES

Martínez, Enrique; Uberuaga, Blas P.

2015-03-13

Stacking fault tetrahedra (SFTs) are ubiquitous defects in face-centered cubic metals. They are produced during cold work plastic deformation, quenching experiments or under irradiation. From a dislocation point of view, the SFTs are comprised of a set of stair-rod dislocations at the (110) edges of a tetrahedron bounding triangular stacking faults. These defects are extremely stable, increasing their energetic stability as they grow in size. At the sizes visible within transmission electron microscope they appear nearly immobile. Contrary to common belief, we show in this report, using a combination of molecular dynamics and temperature accelerated dynamics, how small SFTs canmore » diffuse by temporarily disrupting their structure through activated thermal events. More over, we demonstrate that the diffusivity of defective SFTs is several orders of magnitude higher than perfect SFTs, and can be even higher than isolated vacancies. Finally, we show how SFTs can coalesce, forming a larger defect in what is a new mechanism for the growth of these omnipresent defects.« less

Mobility and coalescence of stacking fault tetrahedra in Cu

PubMed Central

Martínez, Enrique; Uberuaga, Blas P.

2015-01-01

Stacking fault tetrahedra (SFTs) are ubiquitous defects in face-centered cubic metals. They are produced during cold work plastic deformation, quenching experiments or under irradiation. From a dislocation point of view, the SFTs are comprised of a set of stair-rod dislocations at the (110) edges of a tetrahedron bounding triangular stacking faults. These defects are extremely stable, increasing their energetic stability as they grow in size. At the sizes visible within transmission electron microscope they appear nearly immobile. Contrary to common belief, we show in this report, using a combination of molecular dynamics and temperature accelerated dynamics, how small SFTs can diffuse by temporarily disrupting their structure through activated thermal events. More over, we demonstrate that the diffusivity of defective SFTs is several orders of magnitude higher than perfect SFTs, and can be even higher than isolated vacancies. Finally, we show how SFTs can coalesce, forming a larger defect in what is a new mechanism for the growth of these omnipresent defects. PMID:25765711

Generalized stacking fault energies of alloys.

PubMed

Li, Wei; Lu, Song; Hu, Qing-Miao; Kwon, Se Kyun; Johansson, Börje; Vitos, Levente

2014-07-02

The generalized stacking fault energy (γ surface) provides fundamental physics for understanding the plastic deformation mechanisms. Using the ab initio exact muffin-tin orbitals method in combination with the coherent potential approximation, we calculate the γ surface for the disordered Cu-Al, Cu-Zn, Cu-Ga, Cu-Ni, Pd-Ag and Pd-Au alloys. Studying the effect of segregation of the solute to the stacking fault planes shows that only the local chemical composition affects the γ surface. The calculated alloying trends are discussed using the electronic band structure of the base and distorted alloys.Based on our γ surface results, we demonstrate that the previous revealed 'universal scaling law' between the intrinsic energy barriers (IEBs) is well obeyed in random solid solutions. This greatly simplifies the calculations of the twinning measure parameters or the critical twinning stress. Adopting two twinnability measure parameters derived from the IEBs, we find that in binary Cu alloys, Al, Zn and Ga increase the twinnability, while Ni decreases it. Aluminum and gallium yield similar effects on the twinnability.

Injected carrier concentration dependence of the expansion of single Shockley-type stacking faults in 4H-SiC PiN diodes

NASA Astrophysics Data System (ADS)

Tawara, T.; Matsunaga, S.; Fujimoto, T.; Ryo, M.; Miyazato, M.; Miyazawa, T.; Takenaka, K.; Miyajima, M.; Otsuki, A.; Yonezawa, Y.; Kato, T.; Okumura, H.; Kimoto, T.; Tsuchida, H.

2018-01-01

We investigated the relationship between the dislocation velocity and the injected carrier concentration on the expansion of single Shockley-type stacking faults by monitoring the electroluminescence from 4H-SiC PiN diodes with various anode Al concentrations. The injected carrier concentration was calculated using a device simulation that took into account the measured accumulated charge in the drift layer during diode turn-off. The dislocation velocity was strongly dependent on the injected hole concentration, which represents the excess carrier concentration. The activation energy of the dislocation velocity was quite small (below 0.001 eV between 310 and 386 K) over a fixed range of hole concentrations. The average threshold hole concentration required for the expansion of bar-shaped single Shockley-type stacking faults at the interface between the buffer layer and the substrate was determined to be 1.6-2.5 × 1016 cm-3 for diodes with a p-type epitaxial anode with various Al concentrations.

Breakdown of Shape Memory Effect in Bent Cu-Al-Ni Nanopillars: When Twin Boundaries Become Stacking Faults.

PubMed

Liu, Lifeng; Ding, Xiangdong; Sun, Jun; Li, Suzhi; Salje, Ekhard K H

2016-01-13

Bent Cu-Al-Ni nanopillars (diameters 90-750 nm) show a shape memory effect, SME, for diameters D > 300 nm. The SME and the associated twinning are located in a small deformed section of the nanopillar. Thick nanopillars (D > 300 nm) transform to austenite under heating, including the deformed region. Thin nanopillars (D < 130 nm) do not twin but generate highly disordered sequences of stacking faults in the deformed region. No SME occurs and heating converts only the undeformed regions into austenite. The defect-rich, deformed region remains in the martensite phase even after prolonged heating in the stability field of austenite. A complex mixture of twins and stacking faults was found for diameters 130 nm < D < 300 nm. The size effect of the SME in Cu-Al-Ni nanopillars consists of an approximately linear reduction of the SME between 300 and 130 nm when the SME completely vanishes for smaller diameters.

The effect of aluminium on mechanical properties and deformation mechanisms of hadfield steel single crystals

NASA Astrophysics Data System (ADS)

Zakharova, E. G.; Kireeva, I. V.; Chumlyakov, Y. I.; Shul'Mina, A. A.; Sehitoglu, H.; Karaman, I.

2004-06-01

On single crystals of Hadfield steel (Fe-13Mn-1.3C, Fe-13Mn-2.7Al-1.3C, wt.%) the systematical investigations of deformation mechanisms - slip and twinning, stages of plastic flow, strain hardening coefficient depending on orientation of tensile axis have been carried out by methods of optical and electron microscopy, x-ray analysis. Is has been shown that the combination of low stacking fault energy (γ{SF}=0.03J/m^2) with high concentration of carbon atoms in aluminium-free steel results in development of the mechanical twinning at room temperature in all crystal orientations. The new type of twinning with formation of extrinsic stacking fault has been found out in [001] single crystals. Experimentally it has been established that alloying with aluminium leads to increase of stacking fault energy of Hadfield steel and suppresses twinning in all orientations of crystals at preservation of high values of strain-hardening coefficients θ.

Direct observation of a stacking fault in Si(1 - x)Ge(x) semiconductors by spherical aberration-corrected TEM and conventional ADF-STEM.

PubMed

Yamasaki, Jun; Kawai, Tomoyuki; Tanaka, Nobuo

2004-01-01

Spherical aberration (C(S))-corrected transmission electron microscopy (TEM) and annular dark-field scanning TEM (ADF-STEM) are applied to high-resolution observation of stacking faults in Si(1 - x)Ge(x) alloy films prepared on a Si(100) buffer layer by the chemical vapor deposition method. Both of the images clarify the individual nature of stacking faults from their directly interpretable image contrast and also by using image simulation in the case of the C(S)-corrected TEM. Positions of the atomic columns obtained in the ADF-STEM images almost agree with a projection of the theoretical model studied by Chou et al. (Phys. Rev. B 32(1985): 7979). Comparison between the C(S)-corrected TEM and ADF-STEM images shows that their resolution is at a similar level, but directly interpretable image contrast is obtained in ultrathin samples for C(S)-corrected TEM and in slightly thicker samples for ADF-STEM.

Mining dynamic noteworthy functions in software execution sequences

PubMed Central

Huang, Guoyan; Wang, Yuqian; He, Haitao; Ren, Jiadong

2017-01-01

As the quality of crucial entities can directly affect that of software, their identification and protection become an important premise for effective software development, management, maintenance and testing, which thus contribute to improving the software quality and its attack-defending ability. Most analysis and evaluation on important entities like codes-based static structure analysis are on the destruction of the actual software running. In this paper, from the perspective of software execution process, we proposed an approach to mine dynamic noteworthy functions (DNFM)in software execution sequences. First, according to software decompiling and tracking stack changes, the execution traces composed of a series of function addresses were acquired. Then these traces were modeled as execution sequences and then simplified so as to get simplified sequences (SFS), followed by the extraction of patterns through pattern extraction (PE) algorithm from SFS. After that, evaluating indicators inner-importance and inter-importance were designed to measure the noteworthiness of functions in DNFM algorithm. Finally, these functions were sorted by their noteworthiness. Comparison and contrast were conducted on the experiment results from two traditional complex network-based node mining methods, namely PageRank and DegreeRank. The results show that the DNFM method can mine noteworthy functions in software effectively and precisely. PMID:28278276

Temperature-dependent ideal strength and stacking fault energy of fcc Ni: a first-principles study of shear deformation.

PubMed

Shang, S L; Wang, W Y; Wang, Y; Du, Y; Zhang, J X; Patel, A D; Liu, Z K

2012-04-18

Variations of energy, stress, and magnetic moment of fcc Ni as a response to shear deformation and the associated ideal shear strength (τ(IS)), intrinsic (γ(SF)) and unstable (γ(US)) stacking fault energies have been studied in terms of first-principles calculations under both the alias and affine shear regimes within the {111} slip plane along the <112> and <110> directions. It is found that (i) the intrinsic stacking fault energy γ(SF) is nearly independent of the shear deformation regimes used, albeit a slightly smaller value is predicted by pure shear (with relaxation) compared to the one from simple shear (without relaxation); (ii) the minimum ideal shear strength τ(IS) is obtained by pure alias shear of {111}<112>; and (iii) the dissociation of the 1/2[110] dislocation into two partial Shockley dislocations (1/6[211] + 1/6[121]) is observed under pure alias shear of {111}<110>. Based on the quasiharmonic approach from first-principles phonon calculations, the predicted γ(SF) has been extended to finite temperatures. In particular, using a proposed quasistatic approach on the basis of the predicted volume versus temperature relation, the temperature dependence of τ(IS) is also obtained. Both the γ(SF) and the τ(IS) of fcc Ni decrease with increasing temperature. The computed ideal shear strengths as well as the intrinsic and unstable stacking fault energies are in favorable accord with experiments and other predictions in the literature.

Surface dislocation nucleation controlled deformation of Au nanowires

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

Roos, B.; Kapelle, B.; Volkert, C. A., E-mail: volkert@ump.gwdg.de

2014-11-17

We investigate deformation in high quality Au nanowires under both tension and bending using in-situ transmission electron microscopy. Defect evolution is investigated during: (1) tensile deformation of 〈110〉 oriented, initially defect-free, single crystal nanowires with cross-sectional widths between 30 and 300 nm, (2) bending deformation of the same wires, and (3) tensile deformation of wires containing coherent twin boundaries along their lengths. We observe the formation of twins and stacking faults in the single crystal wires under tension, and storage of full dislocations after bending of single crystal wires and after tension of twinned wires. The stress state dependence of themore » deformation morphology and the formation of stacking faults and twins are not features of bulk Au, where deformation is controlled by dislocation interactions. Instead, we attribute the deformation morphologies to the surface nucleation of either leading or trailing partial dislocations, depending on the Schmid factors, which move through and exit the wires producing stacking faults or full dislocation slip. The presence of obstacles such as neutral planes or twin boundaries hinder the egress of the freshly nucleated dislocations and allow trailing and leading partial dislocations to combine and to be stored as full dislocations in the wires. We infer that the twins and stacking faults often observed in nanoscale Au specimens are not a direct size effect but the result of a size and obstacle dependent transition from dislocation interaction controlled to dislocation nucleation controlled deformation.« less

Characterization of V-shaped defects in 4H-SiC homoepitaxial layers

DOE PAGES

Zhang, Lihua; Su, Dong; Kisslinger, Kim; ...

2014-12-04

Synchrotron white beam x-ray topography images show that faint needle-like surface morphological features observed on the Si-face of 4H-SiC homoepitaxial layers using Nomarski optical microscopy are associated with V shaped stacking faults in the epilayer. KOH etching of the V shaped defect reveals small oval pits connected by a shallow line which corresponding to the surface intersections of two partial dislocations and the stacking fault connecting them. Transmission electron microscopy (TEM) specimens from regions containing the V shaped defects were prepared using focused ion beam milling, and stacking sequences of (85), (50) and (63) are observed at the faulted regionmore » with high resolution TEM. In order to study the formation mechanism of V shaped defect, low dislocation density 4H-SiC substrates were chosen for epitaxial growth, and the corresponding regions before and after epitaxy growth are compared in SWBXT images. It is found that no defects in the substrate are directly associated with the formation of the V shaped defect. Simulation results of the contrast from the two partial dislocations associated with V shaped defect in synchrotron monochromatic beam x-ray topography reveals the opposite sign nature of their Burgers vectors. Therefore, a mechanism of 2D nucleation during epitaxy growth is postulated for the formation of the V shaped defect, which requires elimination of non-sequential 1/4[0001] bilayers from the original structure to create the observed faulted stacking sequence.« less

Characterization of V-shaped defects in 4H-SiC homoepitaxial layers

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

Zhang, Lihua; Su, Dong; Kisslinger, Kim

Synchrotron white beam x-ray topography images show that faint needle-like surface morphological features observed on the Si-face of 4H-SiC homoepitaxial layers using Nomarski optical microscopy are associated with V shaped stacking faults in the epilayer. KOH etching of the V shaped defect reveals small oval pits connected by a shallow line which corresponding to the surface intersections of two partial dislocations and the stacking fault connecting them. Transmission electron microscopy (TEM) specimens from regions containing the V shaped defects were prepared using focused ion beam milling, and stacking sequences of (85), (50) and (63) are observed at the faulted regionmore » with high resolution TEM. In order to study the formation mechanism of V shaped defect, low dislocation density 4H-SiC substrates were chosen for epitaxial growth, and the corresponding regions before and after epitaxy growth are compared in SWBXT images. It is found that no defects in the substrate are directly associated with the formation of the V shaped defect. Simulation results of the contrast from the two partial dislocations associated with V shaped defect in synchrotron monochromatic beam x-ray topography reveals the opposite sign nature of their Burgers vectors. Therefore, a mechanism of 2D nucleation during epitaxy growth is postulated for the formation of the V shaped defect, which requires elimination of non-sequential 1/4[0001] bilayers from the original structure to create the observed faulted stacking sequence.« less

Characterization of individual stacking faults in a wurtzite GaAs nanowire by nanobeam X-ray diffraction.

PubMed

Davtyan, Arman; Lehmann, Sebastian; Kriegner, Dominik; Zamani, Reza R; Dick, Kimberly A; Bahrami, Danial; Al-Hassan, Ali; Leake, Steven J; Pietsch, Ullrich; Holý, Václav

2017-09-01

Coherent X-ray diffraction was used to measure the type, quantity and the relative distances between stacking faults along the growth direction of two individual wurtzite GaAs nanowires grown by metalorganic vapour epitaxy. The presented approach is based on the general property of the Patterson function, which is the autocorrelation of the electron density as well as the Fourier transformation of the diffracted intensity distribution of an object. Partial Patterson functions were extracted from the diffracted intensity measured along the [000\\bar{1}] direction in the vicinity of the wurtzite 00\\bar{1}\\bar{5} Bragg peak. The maxima of the Patterson function encode both the distances between the fault planes and the type of the fault planes with the sensitivity of a single atomic bilayer. The positions of the fault planes are deduced from the positions and shapes of the maxima of the Patterson function and they are in excellent agreement with the positions found with transmission electron microscopy of the same nanowire.

Characterization of individual stacking faults in a wurtzite GaAs nanowire by nanobeam X-ray diffraction

PubMed Central

Davtyan, Arman; Lehmann, Sebastian; Zamani, Reza R.; Dick, Kimberly A.; Bahrami, Danial; Al-Hassan, Ali; Leake, Steven J.; Pietsch, Ullrich; Holý, Václav

2017-01-01

Coherent X-ray diffraction was used to measure the type, quantity and the relative distances between stacking faults along the growth direction of two individual wurtzite GaAs nanowires grown by metalorganic vapour epitaxy. The presented approach is based on the general property of the Patterson function, which is the autocorrelation of the electron density as well as the Fourier transformation of the diffracted intensity distribution of an object. Partial Patterson functions were extracted from the diffracted intensity measured along the direction in the vicinity of the wurtzite Bragg peak. The maxima of the Patterson function encode both the distances between the fault planes and the type of the fault planes with the sensitivity of a single atomic bilayer. The positions of the fault planes are deduced from the positions and shapes of the maxima of the Patterson function and they are in excellent agreement with the positions found with transmission electron microscopy of the same nanowire. PMID:28862620

Rapid and Nondestructive Identification of Polytypism and Stacking Sequences in Few-Layer Molybdenum Diselenide by Raman Spectroscopy

DOE PAGES

Lu, Xin; Utama, M. Iqbal Bakti; Lin, Junhao; ...

2015-07-02

Various combinations of interlayer shear modes emerge in few-layer molybdenum diselenide grown by chemical vapor deposition depending on the stacking configuration of the sample. Raman measurements may also reveal polytypism and stacking faults, as supported by first principles calculations and high-resolution transmission electron microscopy. Thus, Raman spectroscopy is an important tool in probing stacking-dependent properties in few-layer 2D materials.

Nutritive value of full-fat sunflower seeds in broiler diets.

PubMed

Selvaraj, R K; Purushothaman, M R

2004-03-01

A study was conducted to evaluate the nutritive value and inclusion level of sunflower seed (SFS) in broiler diets. SFS contained 38.7% ether extract (EE), 16.9% CP, 14.9% crude fiber (CF), 3.5% ash, 0.57% lysine, and 0.46% methionine (89.2% DM basis). The AME (kcal/ kg) content of SFS in roosters was 5,225 and in broilers at 4, 18, and 35 d of age was 3,493, 5,132, and 5,162, respectively. The CP, EE, and CF digestibilities were 80.4, 71.2, and 11.4%, respectively. In an isocaloric and isonitrogenous diet containing SFS at 0, 5, 10, 15, and 20%, SFS up to 20% did not affect weight gain and feed consumption, but the feed conversion ratio was improved (P < 0.05) when broilers were fed 15 or 20% SFS in the starter and finisher diets. CF digestibility of starter diet was significantly lower when 15 or 20% SFS was included. CF digestibility of the finisher diet and digestibility of other nutrients in starter and finisher diets were comparable in all treatment groups. Liver and muscle lipid content, plasma total and high-density lipoprotein cholesterol content, muscle cholesterol content, dressing percentage, liver weight, and giblet weight (as % live weight) were comparable among all treatment groups. Abdominal fat was increased in birds fed 20% SFS. Percentage skin was decreased in broilers fed > or = 10% SFS.

Iterative Structural and Functional Synergistic Resolution Recovery (iSFS-RR) Applied to PET-MR Images in Epilepsy

NASA Astrophysics Data System (ADS)

Silva-Rodríguez, J.; Cortés, J.; Rodríguez-Osorio, X.; López-Urdaneta, J.; Pardo-Montero, J.; Aguiar, P.; Tsoumpas, C.

2016-10-01

Structural Functional Synergistic Resolution Recovery (SFS-RR) is a technique that uses supplementary structural information from MR or CT to improve the spatial resolution of PET or SPECT images. This wavelet-based method may have a potential impact on the clinical decision-making of brain focal disorders such as refractory epilepsy, since it can produce images with better quantitative accuracy and enhanced detectability. In this work, a method for the iterative application of SFS-RR (iSFS-RR) was firstly developed and optimized in terms of convergence and input voxel size, and the corrected images were used for the diagnosis of 18 patients with refractory epilepsy. To this end, PET/MR images were clinically evaluated through visual inspection, atlas-based asymmetry indices (AIs) and SPM (Statistical Parametric Mapping) analysis, using uncorrected images and images corrected with SFS-RR and iSFS-RR. Our results showed that the sensitivity can be increased from 78% for uncorrected images, to 84% for SFS-RR and 94% for the proposed iSFS-RR. Thus, the proposed methodology has demonstrated the potential to improve the management of refractory epilepsy patients in the clinical routine.

New twinning route in face-centered cubic nanocrystalline metals.

PubMed

Wang, Lihua; Guan, Pengfei; Teng, Jiao; Liu, Pan; Chen, Dengke; Xie, Weiyu; Kong, Deli; Zhang, Shengbai; Zhu, Ting; Zhang, Ze; Ma, Evan; Chen, Mingwei; Han, Xiaodong

2017-12-15

Twin nucleation in a face-centered cubic crystal is believed to be accomplished through the formation of twinning partial dislocations on consecutive atomic planes. Twinning should thus be highly unfavorable in face-centered cubic metals with high twin-fault energy barriers, such as Al, Ni, and Pt, but instead is often observed. Here, we report an in situ atomic-scale observation of twin nucleation in nanocrystalline Pt. Unlike the classical twinning route, deformation twinning initiated through the formation of two stacking faults separated by a single atomic layer, and proceeded with the emission of a partial dislocation in between these two stacking faults. Through this route, a three-layer twin was nucleated without a mandatory layer-by-layer twinning process. This route is facilitated by grain boundaries, abundant in nanocrystalline metals, that promote the nucleation of separated but closely spaced partial dislocations, thus enabling an effective bypassing of the high twin-fault energy barrier.

Formation and Growth of Stacking Fault Tetrahedra in Ni via Vacancy Aggregation Mechanism

DOE PAGES

Aidhy, Dilpuneet S.; Lu, Chenyang; Jin, Ke; ...

2015-12-29

Using molecular dynamics simulations, the formation and growth of stacking fault tetrahedra (SFT) are captured by vacancy cluster diffusion and aggregation mechanisms in Ni. The vacancytetrahedron acts as a nucleation point for SFT formation. Simulations show that perfect SFT can grow to the next size perfect SFT via a vacancy aggregation mechanism. The stopping and range of ions in matter (SRIM) calculations and transmission electron microscopy (TEM) observations reveal that SFT can form farther away from the initial cascade-event locations, indicating the operation of diffusion-based vacancy-aggregation mechanism.

Formation and Growth of Stacking Fault Tetrahedra in Ni via Vacancy Aggregation Mechanism

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

Aidhy, Dilpuneet S.; Lu, Chenyang; Jin, Ke

Using molecular dynamics simulations, the formation and growth of stacking fault tetrahedra (SFT) are captured by vacancy cluster diffusion and aggregation mechanisms in Ni. The vacancytetrahedron acts as a nucleation point for SFT formation. Simulations show that perfect SFT can grow to the next size perfect SFT via a vacancy aggregation mechanism. The stopping and range of ions in matter (SRIM) calculations and transmission electron microscopy (TEM) observations reveal that SFT can form farther away from the initial cascade-event locations, indicating the operation of diffusion-based vacancy-aggregation mechanism.

Ductilizing bulk metallic glass composite by tailoring stacking fault energy.

PubMed

Wu, Y; Zhou, D Q; Song, W L; Wang, H; Zhang, Z Y; Ma, D; Wang, X L; Lu, Z P

2012-12-14

Martensitic transformation was successfully introduced to bulk metallic glasses as the reinforcement micromechanism. In this Letter, it was found that the twinning property of the reinforcing crystals can be dramatically improved by reducing the stacking fault energy through microalloying, which effectively alters the electron charge density redistribution on the slipping plane. The enhanced twinning propensity promotes the martensitic transformation of the reinforcing austenite and, consequently, improves plastic stability and the macroscopic tensile ductility. In addition, a general rule to identify effective microalloying elements based on their electronegativity and atomic size was proposed.

Dislocation Dissociation Strongly Influences on Frank—Read Source Nucleation and Microplasticy of Materials with Low Stacking Fault Energy

NASA Astrophysics Data System (ADS)

Huang, Min-Sheng; Zhu, Ya-Xin; Li, Zhen-Huan

2014-04-01

The influence of dislocation dissociation on the evolution of Frank—Read (F-R) sources is studied using a three-dimensional discrete dislocation dynamics simulation (3D-DDD). The classical Orowan nucleation stress and recently proposed Benzerga nucleation time models for F-R sources are improved. This work shows that it is necessary to introduce the dislocation dissociation scheme into 3D-DDD simulation, especially for simulations on micro-plasticity of small sized materials with low stacking fault energy.

New Growth Mode through Decorated Twin Boundaries

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

Bleikamp, Sebastian; Thoma, Arne; Polop, Celia

2006-03-24

Scanning tunneling microscopy and low energy electron diffraction were used to investigate the growth of partly twinned Ir thin films on Ir(111). A transition from the expected layer-by-layer to a defect dominated growth mode with a fixed lateral length scale and increasing roughness is observed. During growth, the majority of the film is stably transformed to twinned stacking. This transition is initiated by the energetic avoidance of the formation of intrinsic stacking faults compared to two independent twin faults. The atomistic details of the defect kinetics are outlined.

New growth mode through decorated twin boundaries.

PubMed

Bleikamp, Sebastian; Thoma, Arne; Polop, Celia; Pirug, Gerhard; Linke, Udo; Michely, Thomas

2006-03-24

Scanning tunneling microscopy and low energy electron diffraction were used to investigate the growth of partly twinned Ir thin films on Ir(111). A transition from the expected layer-by-layer to a defect dominated growth mode with a fixed lateral length scale and increasing roughness is observed. During growth, the majority of the film is stably transformed to twinned stacking. This transition is initiated by the energetic avoidance of the formation of intrinsic stacking faults compared to two independent twin faults. The atomistic details of the defect kinetics are outlined.

FIM-Minimum Data Set Motor Item Bank: Short Forms Development and Precision Comparison in Veterans.

PubMed

Li, Chih-Ying; Romero, Sergio; Simpson, Annie N; Bonilha, Heather S; Simpson, Kit N; Hong, Ickpyo; Velozo, Craig A

2018-03-01

To improve the practical use of the short forms (SFs) developed from the item bank, we compared the measurement precision of the 4- and 8-item SFs generated from a motor item bank composed of the FIM and the Minimum Data Set (MDS). The FIM-MDS motor item bank allowed scores generated from different instruments to be co-calibrated. The 4- and 8-item SFs were developed based on Rasch analysis procedures. This article compared person strata, ceiling/floor effects, and test SE plots for each administration form and examined 95% confidence interval error bands of anchored person measures with the corresponding SFs. We used 0.3 SE as a criterion to reflect a reliability level of .90. Veterans' inpatient rehabilitation facilities and community living centers. Veterans (N=2500) who had both FIM and the MDS data within 6 days during 2008 through 2010. Not applicable. Four- and 8-item SFs of FIM, MDS, and FIM-MDS motor item bank. Six SFs were generated with 4 and 8 items across a range of difficulty levels from the FIM-MDS motor item bank. The three 8-item SFs all had higher correlations with the item bank (r=.82-.95), higher person strata, and less test error than the corresponding 4-item SFs (r=.80-.90). The three 4-item SFs did not meet the criteria of SE <0.3 for any theta values. Eight-item SFs could improve clinical use of the item bank composed of existing instruments across the continuum of care in veterans. We also found that the number of items, not test specificity, determines the precision of the instrument. Copyright © 2017 American Congress of Rehabilitation Medicine. All rights reserved.

Solid-State Fault Current Limiter Development : Design and Testing Update of a 15kV SSCL Power Stack

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

Dr. Ram Adapa; Mr. Dante Piccone

2012-04-30

ABSTRACT The Solid-State Fault Current Limiter (SSCL) is a promising technology that can be applied to utility power delivery systems to address the problem of increasing fault currents associated with load growth. As demand continues to grow, more power is added to utility system either by increasing generator capacity or by adding distributed generators, resulting in higher available fault currents, often beyond the capabilities of the present infrastructure. The SSCL is power-electronics based equipment designed to work with the present utility system to address this problem. The SSCL monitors the line current and dynamically inserts additional impedance into the linemore » in the event of a fault being detected. The SSCL is based on a modular design and can be configured for 5kV through 69kV systems at nominal current ratings of 1000A to 4000A. Results and Findings This report provides the final test results on the development of 15kV class SSCL single phase power stack. The scope of work included the design of the modular standard building block sub-assemblies, the design and manufacture of the power stack and the testing of the power stack for the key functional tests of continuous current capability and fault current limiting action. Challenges and Objectives Solid-State Current Limiter technology impacts a wide spectrum of utility engineering and operating personnel. It addresses the problems associated with load growth both at Transmission and Distribution class networks. The design concept is pioneering in terms of developing the most efficient and compact power electronics equipment for utility use. The initial test results of the standard building blocks are promising. The independent laboratory tests of the power stack are promising. However the complete 3 phase system needs rigorous testing for performance and reliability. Applications, Values, and Use The SSCL is an intelligent power-electronics device which is modular in design and can provide current limiting or current interrupting capabilities. It can be applied to variety of applications from distribution class to transmission class power delivery grids and networks. It can also be applied to single major commercial and industrial loads and distributed generator supplies. The active switching of devices can be further utilized for protection of substation transformers. The stress on the system can be reduced substantially improving the life of the power system. It minimizes the voltage sag by speedy elimination of heavy fault currents and promises to be an important element of the utility power system. DOE Perspective This development effort is now focused on a 15kV system. This project will help mitigate the challenges of increasing available fault current. DOE has made a major contribution in providing a cost effective SSCL designed to integrate seamlessly into the Transmission and Distribution networks of today and the future. Approach SSCL development program for a 69kV SSCL was initiated which included the use of the Super GTO advanced semiconductor device which won the 2007 R&D100 Award. In the beginning, steps were identified to accomplish the economically viable design of a 69kV class Solid State Current Limiter that is extremely reliable, cost effective, and compact enough to be applied in urban transmission. The prime thrust in design and development was to encompass the 1000A and the 3000A ratings and provide a modular design to cover the wide range of applications. The focus of the project was then shifted to a 15kV class SSCL. The specifications for the 15kV power stack are reviewed. The design changes integrated into the 15kV power stack are discussed. In this Technical Update the complete project is summarized followed by a detailed test report. The power stack independent high voltage laboratory test requirements and results are presented. Keywords Solid State Current Limiter, SSCL, Fault Current Limiter, Fault Current Controller, Power electronics controller, Intelligent power-electronics Device, IED« less

Near band gap luminescence in hybrid organic-inorganic structures based on sputtered GaN nanorods.

PubMed

Forsberg, Mathias; Serban, Elena Alexandra; Hsiao, Ching-Lien; Junaid, Muhammad; Birch, Jens; Pozina, Galia

2017-04-26

Novel hybrid organic-inorganic nanostructures fabricated to utilize non-radiative resonant energy transfer mechanism are considered to be extremely attractive for a variety of light emitters for down converting of ultaviolet light and for photovoltaic applications since they can be much more efficient compared to devices grown with common design. Organic-inorganic hybrid structures based on green polyfluorene (F8BT) and GaN (0001) nanorods grown by magnetron sputtering on Si (111) substrates are studied. In such nanorods, stacking faults can form periodic polymorphic quantum wells characterized by bright luminescence. In difference to GaN exciton emission, the recombination rate for the stacking fault related emission increases in the presence of polyfluorene film, which can be understood in terms of Förster interaction mechanism. From comparison of dynamic properties of the stacking fault related luminescence in the hybrid structures and in the bare GaN nanorods, the pumping efficiency of non-radiative resonant energy transfer in hybrids was estimated to be as high as 35% at low temperatures.

The role of surface diffusion and wing tilt in the formation of localized stacking faults in high In-content InGaN MQW nanostructures

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

Nakajima, Yoshitake; Dapkus, P. Daniel

Yellow and green emitting multiple quantum well structures are grown on nanostripe templates with {10-11} facets. SEM and cathodoluminescence measurements show a correlation between rough surface morphology near the bottom of the stripes and non-radiative recombination centers. Transmission electron microscopy (TEM) analysis shows that these surface instabilities are a result of stacking faults generated from the quantum well (QW) regions near the bottom of the pyramid that propagate to the surface. HRTEM images show that the stacking faults are I{sub 1} type which is formed by removal of one half basal plane to relieve the compressive strain in the InGaNmore » QW. Thicker QWs near the bottom as a result of growth rate enhancement due to the surface diffusion of the precursors from the mask regions cause increased strain. Additionally, the compressive strain induced by the bending of the nanostructure towards the growth mask further increases the strain experienced by the QW thereby causing the localized defect generation.« less

Deformation-mechanism map for nanocrystalline metals by molecular-dynamics simulation.

PubMed

Yamakov, V; Wolf, D; Phillpot, S R; Mukherjee, A K; Gleiter, H

2004-01-01

Molecular-dynamics simulations have recently been used to elucidate the transition with decreasing grain size from a dislocation-based to a grain-boundary-based deformation mechanism in nanocrystalline f.c.c. metals. This transition in the deformation mechanism results in a maximum yield strength at a grain size (the 'strongest size') that depends strongly on the stacking-fault energy, the elastic properties of the metal, and the magnitude of the applied stress. Here, by exploring the role of the stacking-fault energy in this crossover, we elucidate how the size of the extended dislocations nucleated from the grain boundaries affects the mechanical behaviour. Building on the fundamental physics of deformation as exposed by these simulations, we propose a two-dimensional stress-grain size deformation-mechanism map for the mechanical behaviour of nanocrystalline f.c.c. metals at low temperature. The map captures this transition in both the deformation mechanism and the related mechanical behaviour with decreasing grain size, as well as its dependence on the stacking-fault energy, the elastic properties of the material, and the applied stress level.

Anisotropy of Earth's D'' layer and stacking faults in the MgSiO3 post-perovskite phase.

PubMed

Oganov, Artem R; Martonák, Roman; Laio, Alessandro; Raiteri, Paolo; Parrinello, Michele

2005-12-22

The post-perovskite phase of (Mg,Fe)SiO3 is believed to be the main mineral phase of the Earth's lowermost mantle (the D'' layer). Its properties explain numerous geophysical observations associated with this layer-for example, the D'' discontinuity, its topography and seismic anisotropy within the layer. Here we use a novel simulation technique, first-principles metadynamics, to identify a family of low-energy polytypic stacking-fault structures intermediate between the perovskite and post-perovskite phases. Metadynamics trajectories identify plane sliding involving the formation of stacking faults as the most favourable pathway for the phase transition, and as a likely mechanism for plastic deformation of perovskite and post-perovskite. In particular, the predicted slip planes are {010} for perovskite (consistent with experiment) and {110} for post-perovskite (in contrast to the previously expected {010} slip planes). Dominant slip planes define the lattice preferred orientation and elastic anisotropy of the texture. The {110} slip planes in post-perovskite require a much smaller degree of lattice preferred orientation to explain geophysical observations of shear-wave anisotropy in the D'' layer.

The role of surface diffusion and wing tilt in the formation of localized stacking faults in high In-content InGaN MQW nanostructures

NASA Astrophysics Data System (ADS)

Nakajima, Yoshitake; Dapkus, P. Daniel

2016-08-01

Yellow and green emitting multiple quantum well structures are grown on nanostripe templates with {10-11} facets. SEM and cathodoluminescence measurements show a correlation between rough surface morphology near the bottom of the stripes and non-radiative recombination centers. Transmission electron microscopy (TEM) analysis shows that these surface instabilities are a result of stacking faults generated from the quantum well (QW) regions near the bottom of the pyramid that propagate to the surface. HRTEM images show that the stacking faults are I1 type which is formed by removal of one half basal plane to relieve the compressive strain in the InGaN QW. Thicker QWs near the bottom as a result of growth rate enhancement due to the surface diffusion of the precursors from the mask regions cause increased strain. Additionally, the compressive strain induced by the bending of the nanostructure towards the growth mask further increases the strain experienced by the QW thereby causing the localized defect generation.

Stacking faults and mechanisms strain-induced transformations of hcp metals (Ti, Mg) during mechanical activation in liquid hydrocarbons

NASA Astrophysics Data System (ADS)

Lubnin, A. N.; Dorofeev, G. A.; Nikonova, R. M.; Mukhgalin, V. V.; Lad'yanov, V. I.

2017-11-01

The evolution of the structure and substructure of metals Ti and Mg with hexagonal close-packed (hcp) lattice is studied during their mechanical activation in a planetary ball mill in liquid hydrocarbons (toluene, n-heptane) and with additions of carbon materials (graphite, fullerite, nanotubes) by X-ray diffraction, scanning electron microscopy, and chemical analysis. The temperature behavior and hydrogen-accumulating properties of mechanocomposites are studied. During mechanical activation of Ti and Mg, liquid hydrocarbons decay, metastable nanocrystalline titanium carbohydride Ti(C,H) x and magnesium hydride β-MgH2 are formed, respectively. The Ti(C,H) x and MgH2 formation mechanisms during mechanical activation are deformation ones and are associated with stacking faults accumulation, and the formation of face-centered cubic (fcc) packing of atoms. Metastable Ti(C,H)x decays at a temperature of 550°C, the partial reverse transformation fcc → hcp occurs. The crystalline defect accumulation (nanograin boundaries, stacking faults), hydrocarbon destruction, and mechanocomposite formation leads to the enhancement of subsequent magnesium hydrogenation in the Sieverts reactor.

Molecular Dynamics Study of High Symmetry Planar Defect Evolution during Growth of CdTe/CdS Films

DOE PAGES

Chavez, Jose Juan; Zhou, Xiao W.; Almeida, Sergio F.; ...

2017-12-15

The growth dynamics and evolution of intrinsic stacking faults, lamellar, and double positioning twin grain boundaries were explored using molecular dynamics simulations during the growth of CdTe homoepitaxy and CdTe/CdS heteroepitaxy. Initial substrate structures were created containing either stacking fault or one type of twin grain boundary, and films were subsequently deposited to study the evolution of the underlying defect. Results show that during homoepitaxy the film growth was epitaxial and the substrate’s defects propagated into the epilayer, except for the stacking fault case where the defect disappeared after the film thickness increased. In contrast, films grown on heteroepitaxy conditionsmore » formed misfit dislocations and grew with a small angle tilt (within ~5°) of the underlying substrate’s orientation to alleviate the lattice mismatch. Grain boundary proliferation was observed in the lamellar and double positioning twin cases. Finally, our study indicates that it is possible to influence the propagation of high symmetry planar defects by selecting a suitable substrate defect configuration, thereby controlling the film defect morphology.« less

Molecular Dynamics Study of High Symmetry Planar Defect Evolution during Growth of CdTe/CdS Films

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

Chavez, Jose Juan; Zhou, Xiao W.; Almeida, Sergio F.

The growth dynamics and evolution of intrinsic stacking faults, lamellar, and double positioning twin grain boundaries were explored using molecular dynamics simulations during the growth of CdTe homoepitaxy and CdTe/CdS heteroepitaxy. Initial substrate structures were created containing either stacking fault or one type of twin grain boundary, and films were subsequently deposited to study the evolution of the underlying defect. Results show that during homoepitaxy the film growth was epitaxial and the substrate’s defects propagated into the epilayer, except for the stacking fault case where the defect disappeared after the film thickness increased. In contrast, films grown on heteroepitaxy conditionsmore » formed misfit dislocations and grew with a small angle tilt (within ~5°) of the underlying substrate’s orientation to alleviate the lattice mismatch. Grain boundary proliferation was observed in the lamellar and double positioning twin cases. Finally, our study indicates that it is possible to influence the propagation of high symmetry planar defects by selecting a suitable substrate defect configuration, thereby controlling the film defect morphology.« less

A first principles study of commonly observed planar defects in Ti/TiB system

DOE PAGES

Nandwana, Peeyush; Gupta, Niraj; Srinivasan, Srivilliputhur G.; ...

2018-04-20

Here, TiB exhibits a hexagonal cross-section with growth faults on (1 0 0) planes and contains B27-B f bicrystals. The hexagonal cross-section is presently explained by surface free energy minimization principle. We show that interfacial energy calculations explain the longer (1 0 0) facet compared to (1 0 1) type facets whereas free surface energy arguments do not provide the true picture. No quantitative explanation of stacking faults and B27-B f interfaces in TiB exists. We show that the low formation energy of stacking faults and B27-B f interfaces explain their abundance. The low energy barrier for B f formationmore » is shown to be responsible for their presence in TiB.« less

A first principles study of commonly observed planar defects in Ti/TiB system

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

Nandwana, Peeyush; Gupta, Niraj; Srinivasan, Srivilliputhur G.

Here, TiB exhibits a hexagonal cross-section with growth faults on (1 0 0) planes and contains B27-B f bicrystals. The hexagonal cross-section is presently explained by surface free energy minimization principle. We show that interfacial energy calculations explain the longer (1 0 0) facet compared to (1 0 1) type facets whereas free surface energy arguments do not provide the true picture. No quantitative explanation of stacking faults and B27-B f interfaces in TiB exists. We show that the low formation energy of stacking faults and B27-B f interfaces explain their abundance. The low energy barrier for B f formationmore » is shown to be responsible for their presence in TiB.« less

Order-disorder twinning model and stacking faults in alpha-NTO.

PubMed

Schwarzenbach, Dieter; Kirschbaum, Kristin; Pinkerton, A Alan

2006-10-01

Crystals of the recently published [Bolotina, Kirschbaum & Pinkerton (2005). Acta Cryst. B61, 577-584] triclinic (P\\overline1) structure of 5-nitro-2,4-dihydro-1,2,4-triazol-3-one (alpha-NTO) occur as fourfold twins. There are Z' = 4 independent molecules per asymmetric unit. We show that the structure contains layers with 2-periodic layer-group symmetry p2(1)/b 1 (1). This symmetry is lost through the stacking of the layers, which is a possible explanation for Z' = 4. A layer can assume four different but equivalent positions with respect to its nearest neighbor. Twinning arises through stacking faults and is an instructive example of the application of order-disorder theory using local symmetry operations. The near-neighbor relations between molecules remain unchanged through all twin boundaries. The four structures with maximum degree of order, one of which is the observed one, and the family reflections common to all domains are identified. Rods of weak diffuse scattering confirm the stacking model.

The role of the cubic structure in freezing of a supercooled water droplet on an ice substrate

NASA Astrophysics Data System (ADS)

Takahashi, T.; Kobayashi, T.

1983-12-01

The possibility of the formation of a metastable cubic (diamond) structure and its role in freezing of a supercooled water droplet on an ice substrate are discussed in terms of two-dimensional nucleation. The mode of stacking sequence of new layers formed by two-dimensional nucleation is divided into single and multi-nucleation according to the degree of supercooling and to the size of the supercooled droplet. In the case of single nucleation a frozen droplet develops into a complete hexagonal single crystal or an optically single crystal (containing discontinuous stacking faults). In the case of multi-nucleation attention is paid to the size effect and the stacking direction of the nucleus to calculate the waiting time in the nucleation. Then the frozen droplets are crystallographically divided into three categories: completely single crystals, optically single crystals (containing a small cubic structure, i.e. stacking faults) and polycrystals with a misorientation of 70.53° between the c-axes.

Detection of illicit drugs with the technique of spectral fluorescence signatures (SFS)

NASA Astrophysics Data System (ADS)

Poryvkina, Larisa; Babichenko, Sergey

2010-10-01

The SFS technology has already proved its analytical capabilities in a variety of industrial and environmental tasks. Recently it has been introduced for forensic applications. The key features of the SFS method - measuring a 3-dimensional spectrum of fluorescence of the sample (intensity versus excitation and emission wavelengths) with following recognition of specific spectral patterns of SFS responsible for individual drugs - provide an effective tool for the analysis of untreated seized samples, without any separation of the substance of interest from its mixture with accompanying cutting agents and diluents as a preparatory step. In such approach the chemical analysis of the sample is substituted by the analysis of SFS matrix visualized as an optical image. The SFS technology of drug detection is realized by NarTest® NTX2000 analyzer, compact device intended to measure suspicious samples in liquid, solid and powder forms. It simplifies the detection process due to fully automated procedures of SFS measuring and integrated expert system for recognition of spectral patterns. Presently the expert system of NTX2000 is able to detect marijuana, cocaine, heroin, MDMA, amphetamine and methamphetamine with the detection limit down to 5% of the drug concentration in various mixtures. The numerous tests with street samples confirmed that the use of SFS method provides reliable results with high sensitivity and selectivity for identification of drugs of abuse. More than 3000 street samples of the aforesaid drugs were analyzed with NTX2000 during validation process, and the correspondence of SFS results and conclusions of standard forensic analyses with GC/MS techniques was in 99.4% cases.

Interaction potential for indium phosphide: a molecular dynamics and first-principles study of the elastic constants, generalized stacking fault and surface energies.

PubMed

Branicio, Paulo Sergio; Rino, José Pedro; Gan, Chee Kwan; Tsuzuki, Hélio

2009-03-04

Indium phosphide is investigated using molecular dynamics (MD) simulations and density-functional theory calculations. MD simulations use a proposed effective interaction potential for InP fitted to a selected experimental dataset of properties. The potential consists of two- and three-body terms that represent atomic-size effects, charge-charge, charge-dipole and dipole-dipole interactions as well as covalent bond bending and stretching. Predictions are made for the elastic constants as a function of density and temperature, the generalized stacking fault energy and the low-index surface energies.

Teaching earth science

USGS Publications Warehouse

Alpha, Tau Rho; Diggles, Michael F.

1998-01-01

This CD-ROM contains 17 teaching tools: 16 interactive HyperCard 'stacks' and a printable model. They are separated into the following categories: Geologic Processes, Earthquakes and Faulting, and Map Projections and Globes. A 'navigation' stack, Earth Science, is provided as a 'launching' place from which to access all of the other stacks. You can also open the HyperCard Stacks folder and launch any of the 16 stacks yourself. In addition, a 17th tool, Earth and Tectonic Globes, is provided as a printable document. Each of the tools can be copied onto a 1.4-MB floppy disk and distributed freely.

An improved low-frequency earthquakes catalogue in the vicinity of the late-interseismic central Alpine Fault, Southern Alps, New Zealand

NASA Astrophysics Data System (ADS)

Baratin, Laura-May; Chamberlain, Calum J.; Townend, John; Savage, Martha K.

2017-04-01

Characterising the seismicity associated with slow deformation in the vicinity of the Alpine Fault may provide constraints on the state of stress of this major transpressive margin prior to a large (≥M8) earthquake. Here, we use recently detected tectonic tremor and low-frequency earthquakes (LFEs) to examine how slow tectonic deformation is loading the Alpine Fault toward an anticipated large rupture. We initially work with a continous seismic dataset collected between 2009 and 2012 from an array of short-period seismometers, the Southern Alps Microearthquake Borehole Array. Fourteen primary LFE templates, found through visual inspection within previously identified tectonic tremor, are used in an iterative matched-filter and stacking routine. This method allows the detection of similar signals and establishes LFE families with common locations. We thus generate a 36 month catalogue of 10718 LFEs. The detections are then combined for each LFE family using phase-weighted stacking to yield a signal with the highest possible signal to noise ratio. We found phase-weighted stacking to be successful in increasing the number of LFE detections by roughly 20%. Phase-weighted stacking also provides cleaner phase arrivals of apparently impulsive nature allowing more precise phase picks. We then compute non-linear earthquake locations using a 3D velocity model and find LFEs to occur below the seismogenic zone at depths of 18-34 km, locating on or near the proposed deep extent of the Alpine Fault. To gain insight into deep fault slip behaviour, a detailed study of the spatial-temporal evolution of LFEs is required. We thus generate a more extensive catalogue of LFEs spanning the years 2009 to 2016 using a different technique to detect LFEs more efficiently. This time 638 synthetic waveforms are used as primary templates in the match-filter routine. Of those, 38 templates yield no detections over our 7-yr study period. The remaining 600 templates end up detecting between 370 and 730 events each totalling ˜310 000 detections. We then focus on only keeping the detections that robustly stack (i.e. representing real LFEs) for each synthetic template hence creating new LFE templates. From there, we rerun the match-filter routine with our new LFE templates. Finally, each LFE template and its subsequent detections form a LFE family, itself associated with a single source. Initial testing shows that this technique paired up with phase-weighted stacking increases the number of LFE families and overall detected events roughly thirtyfold. Our next step is to study in detail the spatial and temporal activity of our LFEs. This new catalogue should provide new insight into the deep central Alpine Fault structure and its slip behaviour.

Fault Creep along the Southern San Andreas from Interferometric Synthetic Aperture Radar, Permanent Scatterers, and Stacking

NASA Technical Reports Server (NTRS)

Lyons, Suzanne; Sandwell, David

2003-01-01

Interferometric synthetic aperture radar (InSAR) provides a practical means of mapping creep along major strike-slip faults. The small amplitude of the creep signal (less than 10 mm/yr), combined with its short wavelength, makes it difficult to extract from long time span interferograms, especially in agricultural or heavily vegetated areas. We utilize two approaches to extract the fault creep signal from 37 ERS SAR images along the southem San Andreas Fault. First, amplitude stacking is utilized to identify permanent scatterers, which are then used to weight the interferogram prior to spatial filtering. This weighting improves correlation and also provides a mask for poorly correlated areas. Second, the unwrapped phase is stacked to reduce tropospheric and other short-wavelength noise. This combined processing enables us to recover the near-field (approximately 200 m) slip signal across the fault due to shallow creep. Displacement maps fiom 60 interferograms reveal a diffuse secular strain buildup, punctuated by localized interseismic creep of 4-6 mm/yr line of sight (LOS, 12-18 mm/yr horizontal). With the exception of Durmid Hill, this entire segment of the southern San Andreas experienced right-lateral triggered slip of up to 10 cm during the 3.5-year period spanning the 1992 Landers earthquake. The deformation change following the 1999 Hector Mine earthquake was much smaller (4 cm) and broader than for the Landers event. Profiles across the fault during the interseismic phase show peak-to-trough amplitude ranging from 15 to 25 mm/yr (horizontal component) and the minimum misfit models show a range of creeping/locking depth values that fit the data.

Antioxidant Activity of Individual Steryl Ferulates from Various Cereal Grain Sources.

PubMed

Zhu, Dan; Sánchez-Ferrer, Antoni; Nyström, Laura

2016-02-26

Steryl ferulates (SFs) are a subclass of bioactive lipids contributing to the health-promoting effects of whole grains. Most related studies focus on γ-oryzanol, a SF mixture from rice, since individual steryl ferulates are not commercially available. There is little evidence that individual SFs may vary in their bioactivity. The aim of this study was to evaluate the antioxidant activity of eight individual SFs by determining their radical scavenging capacity. Additional molecular properties of the individual SFs were determined by molecular simulation in order to identify correlations with their antioxidant activities. Our study demonstrates that individual SFs exhibit 1,1-diphenyl-2-picrylhydrazyl radical, hydroxyl radical, and superoxide anion radical scavenging abilities with subtle differences that were highly dependent on the kind of reaction taking place. The grouping of SFs by principle component analysis was mainly attributed to molecular properties, not antioxidant activities. Solvation energy was significantly correlated with some experimental observations. To our knowledge, this is the first study to evaluate the antioxidant activity of eight individual steryl ferulates from different sources. Results of this work will provide better insight into the antioxidant activity of SFs and the health benefits of whole grains.

Synthesis and crystal structure of a new aluminum-silicon-nitride phosphor containing boron, Ba5B2Al4Si32N52:Eu

NASA Astrophysics Data System (ADS)

Yoshimura, Fumitaka; Yamane, Hisanori; Nagasako, Makoto

2017-07-01

Single crystals of Ba5B2Al4Si32N52:Eu were grown on the wall of a boron nitride crucible by heating a starting mixture of binary nitrides at 2050 °C and a N2 pressure of 0.85 MPa. The fundamental reflections of X-ray diffraction (XRD) for the crystals were indexed with triclinic cell parameters, a=9.7879(11) Å, b=9.7920(11) Å, c=12.7226(15) Å, α=96.074(4)°, β=112.330(3)°, and γ=94.080(4)°. Streak lines were observed between the fundamental reflections in the direction of the c* axis in the oscillation XRD images and selected area electron diffraction (SAED) patterns, indicating stacking faults in the structure. The atomic images of stacking faults with a slip system of (0 0 1)[-1 1 0]/3, and displacement of a Ba atom layer with (0 0 1)[-1 -1 0]/6 were observed with a scanning transmission electron microscope (STEM). The models of the basic (normal-stacking) structure with space group P1 and local structures of the stacking faults are herein presented. The single crystals emitted blue light with a peak wavelength of 472 nm and a full width at half maximum of 78 nm under 365 nm excitation.

Reliability analysis and initial requirements for FC systems and stacks

NASA Astrophysics Data System (ADS)

Åström, K.; Fontell, E.; Virtanen, S.

In the year 2000 Wärtsilä Corporation started an R&D program to develop SOFC systems for CHP applications. The program aims to bring to the market highly efficient, clean and cost competitive fuel cell systems with rated power output in the range of 50-250 kW for distributed generation and marine applications. In the program Wärtsilä focuses on system integration and development. System reliability and availability are key issues determining the competitiveness of the SOFC technology. In Wärtsilä, methods have been implemented for analysing the system in respect to reliability and safety as well as for defining reliability requirements for system components. A fault tree representation is used as the basis for reliability prediction analysis. A dynamic simulation technique has been developed to allow for non-static properties in the fault tree logic modelling. Special emphasis has been placed on reliability analysis of the fuel cell stacks in the system. A method for assessing reliability and critical failure predictability requirements for fuel cell stacks in a system consisting of several stacks has been developed. The method is based on a qualitative model of the stack configuration where each stack can be in a functional, partially failed or critically failed state, each of the states having different failure rates and effects on the system behaviour. The main purpose of the method is to understand the effect of stack reliability, critical failure predictability and operating strategy on the system reliability and availability. An example configuration, consisting of 5 × 5 stacks (series of 5 sets of 5 parallel stacks) is analysed in respect to stack reliability requirements as a function of predictability of critical failures and Weibull shape factor of failure rate distributions.

Installation and impact of sound field systems on hearing and hearing impaired children and their teachers

NASA Astrophysics Data System (ADS)

Dockrell, Julie; Rigby, Kate; Shield, Bridget; Carey, Anne

2005-04-01

An evaluation of the installation and use of sound field systems in ten schools in England has been carried out. The evaluation included noise surveys of classrooms, questionnaire surveys of pupils and teachers and experimental testing of children with and without the use of SFS. The aim of this project was to investigate the impact of SFS on teaching and learning in elementary school classrooms, in particular, to ascertain whether the SFS differentially benefited children with hearing impairments. Barriers to teachers use of SFS were found in terms of equipment placement and maintenance, appropriate training, and teacher's knowledge. Nonetheless positive reports are recorded from both teachers and pupils. Teachers' and pupils' perceptions are compared with objective data evaluating change in performance when SFS are used for language and cognitive tasks. Data from children with hearing impairments and additional learning needs are analyzed for comparative purposes. The results are discussed in terms of effective practice for the use of SFS with elementary school pupils.

Investigations of stacking fault density in perpendicular recording media

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

Piramanayagam, S. N., E-mail: prem-SN@dsi.a-star.edu.sg; Varghese, Binni; Yang, Yi

In magnetic recording media, the grains or clusters reverse their magnetization over a range of reversal field, resulting in a switching field distribution. In order to achieve high areal densities, it is desirable to understand and minimize such a distribution. Clusters of grains which contain stacking faults (SF) or fcc phase have lower anisotropy, an order lower than those without them. It is believed that such low anisotropy regions reverse their magnetization at a much lower reversal field than the rest of the material with a larger anisotropy. Such clusters/grains cause recording performance deterioration, such as adjacent track erasure andmore » dc noise. Therefore, the observation of clusters that reverse at very low reversal fields (nucleation sites, NS) could give information on the noise and the adjacent track erasure. Potentially, the observed clusters could also provide information on the SF. In this paper, we study the reversal of nucleation sites in granular perpendicular media based on a magnetic force microscope (MFM) methodology and validate the observations with high resolution cross-section transmission electron microscopy (HRTEM) measurements. Samples, wherein a high anisotropy CoPt layer was introduced to control the NS or SF in a systematic way, were evaluated by MFM, TEM, and magnetometry. The magnetic properties indicated that the thickness of the CoPt layer results in an increase of nucleation sites. TEM measurements indicated a correlation between the thickness of CoPt layer and the stacking fault density. A clear correlation was also observed between the MFM results, TEM observations, and the coercivity and nucleation field of the samples, validating the effectiveness of the proposed method in evaluating the nucleation sites which potentially arise from stacking faults.« less

ICME for Crashworthiness of TWIP Steels: From Ab Initio to the Crash Performance

NASA Astrophysics Data System (ADS)

Güvenç, O.; Roters, F.; Hickel, T.; Bambach, M.

2015-01-01

During the last decade, integrated computational materials engineering (ICME) emerged as a field which aims to promote synergetic usage of formerly isolated simulation models, data and knowledge in materials science and engineering, in order to solve complex engineering problems. In our work, we applied the ICME approach to a crash box, a common automobile component crucial to passenger safety. A newly developed high manganese steel was selected as the material of the component and its crashworthiness was assessed by simulated and real drop tower tests. The crashworthiness of twinning-induced plasticity (TWIP) steel is intrinsically related to the strain hardening behavior caused by the combination of dislocation glide and deformation twinning. The relative contributions of those to the overall hardening behavior depend on the stacking fault energy (SFE) of the selected material. Both the deformation twinning mechanism and the stacking fault energy are individually well-researched topics, but especially for high-manganese steels, the determination of the stacking-fault energy and the occurrence of deformation twinning as a function of the SFE are crucial to understand the strain hardening behavior. We applied ab initio methods to calculate the stacking fault energy of the selected steel composition as an input to a recently developed strain hardening model which models deformation twinning based on the SFE-dependent dislocation mechanisms. This physically based material model is then applied to simulate a drop tower test in order to calculate the energy absorption capacity of the designed component. The results are in good agreement with experiments. The model chain links the crash performance to the SFE and hence to the chemical composition, which paves the way for computational materials design for crashworthiness.

Generalized stacking fault energies, cleavage energies, ionicity and brittleness of Cu(Al/Ga/In)Se2 and CuGa(S/Se/Te)2

NASA Astrophysics Data System (ADS)

Xue, H. T.; Tang, F. L.; Gruhn, T.; Lu, W. J.; Wan, F. C.; Rui, Z. Y.; Feng, Y. D.

2014-04-01

We calculate the generalized stacking fault (GSF) energies and cleavage energies γcl of the chalcopyrite compounds CuAlSe2, CuGaSe2, CuInSe2, CuGaS2 and CuGaTe2 using first principles. From the GSF energies, we obtain the unstable stacking fault energies γus and intrinsic stacking fault energies γisf. By analyzing γus and γisf, we find that the \\langle \\bar{{1}}\\,1\\,0\\rangle (1 1 2) direction is the easiest slip direction for these five compounds. Also, for CuInSe2, it is most possible to undergo a dislocation-nucleation-induced plastic deformation along the \\langle \\bar{{1}}\\,1\\,0\\rangle (1 1 2) slip direction. We show that the (1 1 2) plane is the preferable plane for fracture in the five compounds by comparing γcl of the (0 0 1) and (1 1 2) planes. It is also found that both γus and γcl decrease as the cationic or anionic radius increases in these chalcopyrites, i.e. along the sequences CuAlSe2 → CuGaSe2 → CuInSe2 and CuGaS2 → CuGaSe2 → CuGaTe2. Based on the values of the ratio γcl/γus, we discuss the brittle-ductile properties of these compounds. All of the compounds can be considered as brittle materials. In addition, a strong relationship between γcl/γus and the total proportion of ionic bonding in these compounds is found.

Risk of venous congestion in live donors of extended right liver graft

PubMed Central

Radtke, Arnold; Sgourakis, George; Molmenti, Ernesto P; Beckebaum, Susanne; Cicinnati, Vito R; Schmidt, Hartmut; Peitgen, Heinz-Otto; Broelsch, Christoph E; Malagó, Massimo; Schroeder, Tobias

2015-01-01

AIM: To investigate middle hepatic vein (MHV) management in adult living donor liver transplantation and safer remnant volumes (RV). METHODS: There were 59 grafts with and 12 grafts without MHV (including 4 with MHV-5/8 reconstructions). All donors underwent our five-step protocol evaluation containing a preoperative protocol liver biopsy Congestive vs non-congestive RV, remnant-volume-body-weight ratios (RVBWR) and postoperative outcomes were evaluated in 71 right graft living donors. Dominant vs non-dominant MHV anatomy in total liver volume (d-MHV/TLV vs nd-MHV/TLV) was constellated with large/small congestion volumes (CV-index). Small for size (SFS) and non-SFS remnant considerations were based on standard cut-off- RVBWR and RV/TLV. Non-congestive RVBWR was based on non-congestive RV. RESULTS: MHV and non-MHV remnants showed no significant differences in RV, RV/TLV, RVBWR, total bilirubin, or INR. SFS-remnants with RV/TLV < 30% and non-SFS-remnants with RV/TLV ≥ 30% showed no significant differences either. RV and RVBWR for non-MHV (n = 59) and MHV-containing (n = 12) remnants were 550 ± 95 mL and 0.79 ± 0.1 mL vs 568 ± 97 mL and 0.79 ± 0.13, respectively (P = 0.423 and P = 0.919. Mean left RV/TLV was 35.8% ± 3.9%. Non-MHV (n = 59) and MHV-containing (n = 12) remnants (34.1% ± 3% vs 36% ± 4% respectively, P = 0.148. Eight SFS-remnants with RVBWR < 0.65 had a significantly smaller RV/TLV than 63 non-SFS-remnants with RVBWR ≥ 0.65 [SFS: RV/TLV 32.4% (range: 28%-35.7%) vs non-SFS: RV/TLV 36.2% (range: 26.1%-45.5%), P < 0.009. Six SFS-remnants with RV/TLV < 30% had significantly smaller RVBWR than 65 non-SFS-remnants with RV/TLV ≥ 30% (0.65 (range: 0.6-0.7) vs 0.8 (range: 0.6-1.27), P < 0.01. Two (2.8%) donors developed reversible liver failure. RVBWR and RV/TLV were concordant in 25%-33% of SFS and in 92%-94% of non-SFS remnants. MHV management options including complete MHV vs MHV-4A selective retention were necessary in n = 12 vs n = 2 remnants based on particularly risky congestive and non-congestive volume constellations. CONCLUSION: MHV procurement should consider individual remnant congestive- and non-congestive volume components and anatomy characteristics, RVBWR-RV/TLV constellation enables the identification of marginally small remnants. PMID:26019467

Effect of Alloying on the Strength Properties and the Hardening Mechanisms of Nitrogen-Bearing Austenitic Steels after Hot Deformation and Annealing

NASA Astrophysics Data System (ADS)

Bannykh, I. O.

2017-11-01

The main mechanisms of hardening nitrogen-bearing austenitic steels that operate under various thermomechanical treatment conditions at various steel compositions are considered. The strength properties of the steels are shown to depend on the content of interstitial elements, namely, carbon and nitrogen, and the influence of these elements on the stacking fault energy is estimated. The ratios of the main alloying elements that favor an increase or a decrease in the stacking fault energy are found to achieve the desirable level of strain hardening provided that an austenitic structure of steel is retained.

Composition-dependence of stacking fault energy in austenitic stainless steels through linear regression with random intercepts

NASA Astrophysics Data System (ADS)

Meric de Bellefon, G.; van Duysen, J. C.; Sridharan, K.

2017-08-01

The stacking fault energy (SFE) plays an important role in deformation behavior and radiation damage of FCC metals and alloys such as austenitic stainless steels. In the present communication, existing expressions to calculate SFE in those steels from chemical composition are reviewed and an improved multivariate linear regression with random intercepts is used to analyze a new database of 144 SFE measurements collected from 30 literature references. It is shown that the use of random intercepts can account for experimental biases in these literature references. A new expression to predict SFE from austenitic stainless steel compositions is proposed.

Defects in paramagnetic Co-doped ZnO films studied by transmission electron microscopy

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

Kovacs, Andras; Ney, A.; Duchamp, Martial

2013-12-23

We have studied planar defects in epitaxial Co:ZnO dilute magnetic semiconductor thin films deposited on c-plane sapphire (Al2O3) and the Co:ZnO/Al2O3 interface structure at atomic resolution using aberration-corrected transmission electron microscopy (TEM) and electron energy-loss spectroscopy (EELS). Comparing Co:ZnO samples deposited by pulsed laser deposition and reactive magnetron sputtering, both exhibit extrinsic stacking faults, incoherent interface structures, and compositional variations within the first 3-4 Co:ZnO layers at the interface.. In addition, we have measured the local strain which reveals the lattice distortion around the stacking faults.

Creep Mechanisms of a Ni-Co-Based-Wrought Superalloy with Low Stacking Fault Energy

NASA Astrophysics Data System (ADS)

Tian, Chenggang; Xu, Ling; Cui, Chuanyong; Sun, Xiaofeng

2015-10-01

In order to study the influences of stress and temperature on the creep deformation mechanisms of a newly developed Ni-Co-based superalloy with low stacking fault energy, creep experiments were carried out under a stress range of 345 to 840 MPa and a temperature range of 923 K to 1088 K (650 °C to 815 °C). The mechanisms operated under the various creep conditions were identified and the reasons for their transformation were well discussed. A deformation mechanism map under different creep conditions was summarized, which provides a qualitative representation of the operative creep mechanisms as a function of stress and temperature.

Strain-induced structure transformations on Si(111) and Ge(111) surfaces: a combined density-functional and scanning tunneling microscopy study.

PubMed

Zhachuk, R; Teys, S; Coutinho, J

2013-06-14

Si(111) and Ge(111) surface formation energies were calculated using density functional theory for various biaxial strain states ranging from -0.04 to 0.04, and for a wide set of experimentally observed surface reconstructions: 3 × 3, 5 × 5, 7 × 7 dimer-adatom-stacking fault reconstructions and c(2 × 8), 2 × 2, and √3×√3 adatoms based surfaces. The calculations are compared with scanning tunneling microscopy data obtained on stepped Si(111) surfaces and on Ge islands grown on a Si(111) substrate. It is shown that the surface structure transformations observed in these strained systems are accounted for by a phase diagram that relates the equilibrium surface structure to the applied strain. The calculated formation energy of the unstrained Si(111)-9 × 9 dimer-adatom-stacking fault surface is reported for the first time and it is higher than corresponding energies of Si(111)-5 × 5 and Si(111)-7 × 7 dimer-adatom-stacking fault surfaces as expected. We predict that the Si(111) surface should adopt a c(2 × 8) reconstruction when tensile strain is above 0.03.

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

NASA Astrophysics Data System (ADS)

Li, Shaorong; Wang, Shaofeng; Wang, Rui

2011-12-01

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

Dislocation imaging for orthopyroxene using an atom-resolved scanning transmission electron microscopy.

PubMed

Kumamoto, Akihito; Kogure, Toshihiro; Raimbourg, Hugues; Ikuhara, Yuichi

2014-11-01

Dislocations, one-dimensional lattice defects, appear as a microscopic phenomenon while they are formed in silicate minerals by macroscopic dynamics of the earth crust such as shear stress. To understand ductile deformation mechanisms of silicates, atomic structures of the dislocations have been examined using transmission electron microscopy (TEM). Among them, it has been proposed that {100}<001> primary slip system of orthopyroxene (Opx) is dissociated into partial dislocations, and a stacking fault with the clinopyroxene (Cpx) structure is formed between the dislocations. This model, however, has not been determined completely due to the complex structures of silicates. Scanning transmission electron microscopy (STEM) has a potential to determine the structure of dislocations with single-atomic column sensitivity, particularly by using high-angle annular dark field (HAADF) and annular bright field (ABF) imaging with a probing aberration corrector.[1] Furthermore, successive analyses from light microscopy to atom-resolved STEM have been achieved by focused ion beam (FIB) sampling techniques.[2] In this study, we examined dislocation arrays at a low-angle grain boundary of ∼1° rotation about the b-axis in natural deformed Opx using a simultaneous acquisition of HAADF/ABF (JEM-ARM200F, JEOL) equipped with 100 mm2 silicon drift detector (SDD) for energy dispersive X-ray spectroscopy (EDS). Figure 1 shows averaged STEM images viewed along the b- axis of Opx extracted from repeating units. HAADF provides the cation-site arrangement, and ABF distinguishes the difference of slightly rotated SiO4 tetrahedron around the a- axis. This is useful to distinguish the change of stacking sequence between the partial dislocations. Two types of stacking faults with Cpx and protopyroxene (Ppx) structures were identified between three partial dislocations. Furthermore, Ca accumulation in M2 (Fe) site around the stacking faults was detected by STEM-EDS. Interestingly, Ca is distributed not only in these stacking faults but also Opx matrix around the faults. jmicro;63/suppl_1/i17/DFU063F1F1DFU063F1Fig. 1. (a) HAADF and (b) ABF of Opx view of [010] direction with inset simulation images and models of its unit cell (a = 0.52, c = 1.83 nm). © The Author 2014. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

AIC-based diffraction stacking for local earthquake locations at the Sumatran Fault (Indonesia)

NASA Astrophysics Data System (ADS)

Hendriyana, Andri; Bauer, Klaus; Muksin, Umar; Weber, Michael

2018-05-01

We present a new workflow for the localization of seismic events which is based on a diffraction stacking approach. In order to address the effects from complex source radiation patterns, we suggest to compute diffraction stacking from a characteristic function (CF) instead of stacking the original waveform data. A new CF, which is called in the following mAIC (modified from Akaike Information Criterion) is proposed. We demonstrate that both P- and S-wave onsets can be detected accurately. To avoid cross-talk between P and S waves due to inaccurate velocity models, we separate the P and S waves from the mAIC function by making use of polarization attributes. Then, the final image function is represented by the largest eigenvalue as a result of the covariance analysis between P- and S-image functions. Results from synthetic experiments show that the proposed diffraction stacking provides reliable results. The workflow of the diffraction stacking method was finally applied to local earthquake data from Sumatra, Indonesia. Recordings from a temporary network of 42 stations deployed for nine months around the Tarutung pull-apart basin were analysed. The seismic event locations resulting from the diffraction stacking method align along a segment of the Sumatran Fault. A more complex distribution of seismicity is imaged within and around the Tarutung basin. Two lineaments striking N-S were found in the centre of the Tarutung basin which support independent results from structural geology.

A Reference Stack for PHM Architectures

DTIC Science & Technology

2014-10-02

components, fault modes and prognostics such as that described by MIMOSA (2009) and ISO 13374-3:2012 (2012). Section 2.6 described a semantic...architecture, and the use of a SOA is further discussed in Section 3.3.2. MIMOSA is a stack-oriented data architecture. Figure 11 shows its stack of...format (US Army PEWG, 2011). The tagging in ABCD format respects the data layers that are found in the MIMOSA standard ( MIMOSA , 2009) and in ISO

The combinatorial control of alternative splicing in C. elegans

PubMed Central

2017-01-01

Normal development requires the right splice variants to be made in the right tissues at the right time. The core splicing machinery is engaged in all splicing events, but which precise splice variant is made requires the choice between alternative splice sites—for this to occur, a set of splicing factors (SFs) must recognize and bind to short RNA motifs in the pre-mRNA. In C. elegans, there is known to be extensive variation in splicing patterns across development, but little is known about the targets of each SF or how multiple SFs combine to regulate splicing. Here we combine RNA-seq with in vitro binding assays to study how 4 different C. elegans SFs, ASD-1, FOX-1, MEC-8, and EXC-7, regulate splicing. The 4 SFs chosen all have well-characterised biology and well-studied loss-of-function genetic alleles, and all contain RRM domains. Intriguingly, while the SFs we examined have varied roles in C. elegans development, they show an unexpectedly high overlap in their targets. We also find that binding sites for these SFs occur on the same pre-mRNAs more frequently than expected suggesting extensive combinatorial control of splicing. We confirm that regulation of splicing by multiple SFs is often combinatorial and show that this is functionally significant. We also find that SFs appear to combine to affect splicing in two modes—they either bind in close proximity within the same intron or they appear to bind to separate regions of the intron in a conserved order. Finally, we find that the genes whose splicing are regulated by multiple SFs are highly enriched for genes involved in the cytoskeleton and in ion channels that are key for neurotransmission. Together, this shows that specific classes of genes have complex combinatorial regulation of splicing and that this combinatorial regulation is critical for normal development to occur. PMID:29121637

Stacking faults density driven collapse of magnetic energy in hcp-cobalt nano-magnets

NASA Astrophysics Data System (ADS)

Nong, H. T. T.; Mrad, K.; Schoenstein, F.; Piquemal, J.-Y.; Jouini, N.; Leridon, B.; Mercone, S.

2017-06-01

Cobalt nanowires with different shape parameters were synthesized via the polyol process. By calculating the magnetic energy product (BH max) both for dried nano-powder and for nanowires in their synthesis solution, we observed unexpected independent BH max values from the nanowires shape. A good alignment of the nanowires leads to a higher BH max value. Our results show that the key parameter driving the magnetic energy product of the cobalt nanowires is the stacking fault density. An exponential collapse of the magnetic energy is observed at very low percentage of structural faults. Cobalt nanowires with almost perfect hcp crystalline structures should present high magnetic energy, which is promising for application in rare earth-free permanent magnets. Oral talk at 8th International Workshop on Advanced Materials Science and Nanotechnology (IWAMSN2016), 8-12 November 2016, Ha Long City, Vietnam.

The Impact of Protein Structure and Sequence Similarity on the Accuracy of Machine-Learning Scoring Functions for Binding Affinity Prediction

PubMed Central

Peng, Jiangjun; Leung, Yee; Leung, Kwong-Sak; Wong, Man-Hon; Lu, Gang; Ballester, Pedro J.

2018-01-01

It has recently been claimed that the outstanding performance of machine-learning scoring functions (SFs) is exclusively due to the presence of training complexes with highly similar proteins to those in the test set. Here, we revisit this question using 24 similarity-based training sets, a widely used test set, and four SFs. Three of these SFs employ machine learning instead of the classical linear regression approach of the fourth SF (X-Score which has the best test set performance out of 16 classical SFs). We have found that random forest (RF)-based RF-Score-v3 outperforms X-Score even when 68% of the most similar proteins are removed from the training set. In addition, unlike X-Score, RF-Score-v3 is able to keep learning with an increasing training set size, becoming substantially more predictive than X-Score when the full 1105 complexes are used for training. These results show that machine-learning SFs owe a substantial part of their performance to training on complexes with dissimilar proteins to those in the test set, against what has been previously concluded using the same data. Given that a growing amount of structural and interaction data will be available from academic and industrial sources, this performance gap between machine-learning SFs and classical SFs is expected to enlarge in the future. PMID:29538331

Non-parametric estimation of population size changes from the site frequency spectrum.

PubMed

Waltoft, Berit Lindum; Hobolth, Asger

2018-06-11

Changes in population size is a useful quantity for understanding the evolutionary history of a species. Genetic variation within a species can be summarized by the site frequency spectrum (SFS). For a sample of size n, the SFS is a vector of length n - 1 where entry i is the number of sites where the mutant base appears i times and the ancestral base appears n - i times. We present a new method, CubSFS, for estimating the changes in population size of a panmictic population from an observed SFS. First, we provide a straightforward proof for the expression of the expected site frequency spectrum depending only on the population size. Our derivation is based on an eigenvalue decomposition of the instantaneous coalescent rate matrix. Second, we solve the inverse problem of determining the changes in population size from an observed SFS. Our solution is based on a cubic spline for the population size. The cubic spline is determined by minimizing the weighted average of two terms, namely (i) the goodness of fit to the observed SFS, and (ii) a penalty term based on the smoothness of the changes. The weight is determined by cross-validation. The new method is validated on simulated demographic histories and applied on unfolded and folded SFS from 26 different human populations from the 1000 Genomes Project.

The Impact of Protein Structure and Sequence Similarity on the Accuracy of Machine-Learning Scoring Functions for Binding Affinity Prediction.

PubMed

Li, Hongjian; Peng, Jiangjun; Leung, Yee; Leung, Kwong-Sak; Wong, Man-Hon; Lu, Gang; Ballester, Pedro J

2018-03-14

It has recently been claimed that the outstanding performance of machine-learning scoring functions (SFs) is exclusively due to the presence of training complexes with highly similar proteins to those in the test set. Here, we revisit this question using 24 similarity-based training sets, a widely used test set, and four SFs. Three of these SFs employ machine learning instead of the classical linear regression approach of the fourth SF (X-Score which has the best test set performance out of 16 classical SFs). We have found that random forest (RF)-based RF-Score-v3 outperforms X-Score even when 68% of the most similar proteins are removed from the training set. In addition, unlike X-Score, RF-Score-v3 is able to keep learning with an increasing training set size, becoming substantially more predictive than X-Score when the full 1105 complexes are used for training. These results show that machine-learning SFs owe a substantial part of their performance to training on complexes with dissimilar proteins to those in the test set, against what has been previously concluded using the same data. Given that a growing amount of structural and interaction data will be available from academic and industrial sources, this performance gap between machine-learning SFs and classical SFs is expected to enlarge in the future.

Comparative limb bone loading in the humerus and femur of the tiger salamander: testing the 'mixed-chain' hypothesis for skeletal safety factors.

PubMed

Kawano, Sandy M; Economy, D Ross; Kennedy, Marian S; Dean, Delphine; Blob, Richard W

2016-02-01

Locomotion imposes some of the highest loads upon the skeleton, and diverse bone designs have evolved to withstand these demands. Excessive loads can fatally injure organisms; however, bones have a margin of extra protection, called a 'safety factor' (SF), to accommodate loads that are higher than normal. The extent to which SFs might vary amongst an animal's limb bones is unclear. If the limbs are likened to a chain composed of bones as 'links', then similar SFs might be expected for all limb bones because failure of the system would be determined by the weakest link, and extra protection in other links could waste energetic resources. However, Alexander proposed that a 'mixed-chain' of SFs might be found amongst bones if: (1) their energetic costs differ, (2) some elements face variable demands, or (3) SFs are generally high. To test whether such conditions contribute to diversity in limb bone SFs, we compared the biomechanical properties and locomotor loading of the humerus and femur in the tiger salamander (Ambystoma tigrinum). Despite high SFs in salamanders and similar sizes of the humerus and femur that would suggest similar energetic costs, the humerus had lower bone stresses, higher mechanical hardness and larger SFs. SFs were greatest in the anatomical regions where yield stresses were highest in the humerus and lowest in the femur. Such intraspecific variation between and within bones may relate to their different biomechanical functions, providing insight into the emergence of novel locomotor capabilities during the invasion of land by tetrapods. © 2016. Published by The Company of Biologists Ltd.

Does the Social Functioning Scale reflect real-life social functioning? An experience sampling study in patients with a non-affective psychotic disorder and healthy control individuals.

PubMed

Schneider, M; Reininghaus, U; van Nierop, M; Janssens, M; Myin-Germeys, I

2017-12-01

The ecological validity of retrospective measures of social functioning is currently unknown in patients with schizophrenia. In the present study, patients with a diagnosis of non-affective psychosis were compared with controls on two measures of social functioning: the Social Functioning Scale (SFS) and daily-life measures collected with the Experience Sampling Methodology (ESM). The associations between both measures were examined in each group of participants to test for the ecological validity of the SFS. A total of 126 participants with a non-affective psychotic disorder and 109 controls completed the SFS and a 6-day momentary ESM protocol assessing various aspects of social functioning. Multiple linear and multilevel regression analyses were performed to test for group differences in social functioning level and examine associations between the two assessment techniques. Lower social functioning was observed in patients compared with controls on retrospective and momentary measures. The SFS interpersonal domain (social engagement/withdrawal and interpersonal behaviour dimensions) was associated with the percentage of time spent alone and negative appraisal of social interactions. The SFS activity domain (pro-social and recreational activities dimensions) was negatively associated with time spent in leisure activities. The SFS showed some degree of ecological validity at assessing broad aspects of social functioning. Low scores on the SFS social engagement/withdrawal and interpersonal behaviour dimensions captured social isolation and social avoidance in daily life, but not lack of interest in socializing. Ecological validity of the SFS activity domain was low. ESM offers a rich alternative to classical assessment techniques of social functioning.

Combining total internal reflection sum frequency spectroscopy spectral imaging and confocal fluorescence microscopy.

PubMed

Allgeyer, Edward S; Sterling, Sarah M; Gunewardene, Mudalige S; Hess, Samuel T; Neivandt, David J; Mason, Michael D

2015-01-27

Understanding surface and interfacial lateral organization in material and biological systems is critical in nearly every field of science. The continued development of tools and techniques viable for elucidation of interfacial and surface information is therefore necessary to address new questions and further current investigations. Sum frequency spectroscopy (SFS) is a label-free, nonlinear optical technique with inherent surface specificity that can yield critical organizational information on interfacial species. Unfortunately, SFS provides no spatial information on a surface; small scale heterogeneities that may exist are averaged over the large areas typically probed. Over the past decade, this has begun to be addressed with the advent of SFS microscopy. Here we detail the construction and function of a total internal reflection (TIR) SFS spectral and confocal fluorescence imaging microscope directly amenable to surface investigations. This instrument combines, for the first time, sample scanning TIR-SFS imaging with confocal fluorescence microscopy.

Lacustrine Paleoseismology Reveals Earthquake Segmentation of the Alpine Fault, New Zealand

NASA Astrophysics Data System (ADS)

Howarth, J. D.; Fitzsimons, S.; Norris, R.; Langridge, R. M.

2013-12-01

Transform plate boundary faults accommodate high rates of strain and are capable of producing large (Mw>7.0) to great (Mw>8.0) earthquakes that pose significant seismic hazard. The Alpine Fault in New Zealand is one of the longest, straightest and fastest slipping plate boundary transform faults on Earth and produces earthquakes at quasi-periodic intervals. Theoretically, the fault's linearity, isolation from other faults and quasi-periodicity should promote the generation of earthquakes that have similar magnitudes over multiple seismic cycles. We test the hypothesis that the Alpine Fault produces quasi-regular earthquakes that contiguously rupture the southern and central fault segments, using a novel lacustrine paleoseismic proxy to reconstruct spatial and temporal patterns of fault rupture over the last 2000 years. In three lakes located close to the Alpine Fault the last nine earthquakes are recorded as megaturbidites formed by co-seismic subaqueous slope failures, which occur when shaking exceeds Modified Mercalli (MM) VII. When the fault ruptures adjacent to a lake the co-seismic megaturbidites are overlain by stacks of turbidites produced by enhanced fluvial sediment fluxes from earthquake-induced landslides. The turbidite stacks record shaking intensities of MM>IX in the lake catchments and can be used to map the spatial location of fault rupture. The lake records can be dated precisely, facilitating meaningful along strike correlations, and the continuous records allow earthquakes closely spaced in time on adjacent fault segments to be distinguished. The results show that while multi-segment ruptures of the Alpine Fault occurred during most seismic cycles, sequential earthquakes on adjacent segments and single segment ruptures have also occurred. The complexity of the fault rupture pattern suggests that the subtle variations in fault geometry, sense of motion and slip rate that have been used to distinguish the central and southern segments of the Alpine Fault can inhibit rupture propagation, producing a soft earthquake segment boundary. The study demonstrates the utility of lakes as paleoseismometers that can be used to reconstruct the spatial and temporal patterns of earthquakes on a fault.

Deformation mechanisms of nanotwinned Al

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

Zhang, Xinghang

The objective of this project is to investigate the role of different types of layer interfaces on the formation of high density stacking fault (SF) in Al in Al/fcc multilayers, and understand the corresponding deformation mechanisms of the films. Stacking faults or twins can be intentionally introduced (via growth) into certain fcc metals with low stacking fault energy (such as Cu, Ag and 330 stainless steels) to achieve high strength, high ductility, superior thermal stability and good electrical conductivity. However it is still a major challenge to synthesize these types of defects into metals with high stacking fault energy, suchmore » as Al. Although deformation twins have been observed in some nanocrystalline Al powders by low temperature, high strain rate cryomilling or in Al at the edge of crack tip or indentation (with the assistance of high stress intensity factor), these deformation techniques typically introduce twins sporadically and the control of deformation twin density in Al is still not feasible. This project is designed to test the following hypotheses: (1) Certain type of layer interfaces may assist the formation of SF in Al, (2) Al with high density SF may have deformation mechanisms drastically different from those of coarse-grained Al and nanotwinned Cu. To test these hypotheses, we have performed the following tasks: (i) Investigate the influence of layer interfaces, stresses and deposition parameters on the formation and density of SF in Al. (ii) Understand the role of SF on the deformation behavior of Al. In situ nanoindentation experiments will be performed to probe deformation mechanisms in Al. The major findings related to the formation mechanism of twins and mechanical behavior of nanotwinned metals include the followings: 1) Our studies show that nanotwins can be introduced into metals with high stacking fault energy, in drastic contrast to the general anticipation. 2) We show two strategies that can effectively introduce growth twins in high-stacking-energy metals: use Ag as a template to introduce high density growth twins in epitaxial Al; and the film thickness is important in determination of volume fraction of growth twins. 3) We prove that high density twin boundaries can lead to significant work hardening capability in nanotwinned Al. We have published 13 articles, including Nature Communications, Nano Letters, and two review articles, one in Annual Review of Materials Research; and one in MRS Bulletin. Two postdocs and three graduate students have worked on the project. Two of them have become postdoc at Sandia National Laboratory and Los Alamos National Laboratory. One of the postdoc has become a faculty at a University. One patent has been filed.« less

Global Flows in Local Language Planning: Articulating Parallel Language Use in Swedish University Policies

ERIC Educational Resources Information Center

Hult, Francis M.; Källkvist, Marie

2016-01-01

In this paper, the language policies of three Swedish universities are examined as instances of language planning in local contexts. Although Sweden has the national Language Act of 2009 (SFS 2009:600) as well as a general Higher Education Ordinance (SFS 1993:100; SFS 2014:1096), language planning for higher education is left to the purview of…

Statistical Fine Structure of Inhomogeneously Broadened Absorption Lines.

DTIC Science & Technology

1987-07-31

inhomogeneously broadened optical absorption of pentacene n p-terphenyl at liquid helium temperatures... SFS is the actual frequency- ependent, time...statistical fine structure (SFS) in the inhomogeneously broadened optical absorption of pentacene in p-terphenyl at liquid helium temperatures. SFS is the...quite difficult . -2- We have observed for the first time statistical fine structure in the inhomogeneously broadened optical absorption of pentacene

Citrullinated Chemokines in Rheumatoid Arthritis

DTIC Science & Technology

2014-10-01

fluids (SFs) compared to osteoarthritis (OA) and other inflammatory rheumatic diseases (OD) SFs, and its concentration correlates with RA disease ...osteoarthritis (OA), and other inflammatory rheumatic disease (OD) synovial fluids (SFs). The correlation between the citrullinated chemokine levels and...Objectives: Specific Aim 1: To determine how citrullinated chemokines compare in RA, vs. OA, vs. other rheumatic diseases (OD), vs. NLs. Major Task 1

Effect of dislocation pile-up on size-dependent yield strength in finite single-crystal micro-samples

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

Pan, Bo; Shibutani, Yoji, E-mail: sibutani@mech.eng.osaka-u.ac.jp; Zhang, Xu

2015-07-07

Recent research has explained that the steeply increasing yield strength in metals depends on decreasing sample size. In this work, we derive a statistical physical model of the yield strength of finite single-crystal micro-pillars that depends on single-ended dislocation pile-up inside the micro-pillars. We show that this size effect can be explained almost completely by considering the stochastic lengths of the dislocation source and the dislocation pile-up length in the single-crystal micro-pillars. The Hall–Petch-type relation holds even in a microscale single-crystal, which is characterized by its dislocation source lengths. Our quantitative conclusions suggest that the number of dislocation sources andmore » pile-ups are significant factors for the size effect. They also indicate that starvation of dislocation sources is another reason for the size effect. Moreover, we investigated the explicit relationship between the stacking fault energy and the dislocation “pile-up” effect inside the sample: materials with low stacking fault energy exhibit an obvious dislocation pile-up effect. Our proposed physical model predicts a sample strength that agrees well with experimental data, and our model can give a more precise prediction than the current single arm source model, especially for materials with low stacking fault energy.« less

Dose dependence of helium bubble formation in nano-engineered SiC at 700 °C

DOE PAGES

Chen, Chien -Hung; Zhang, Yanwen; Wang, Yongqiang; ...

2016-02-03

Knowledge of radiation-induced helium bubble nucleation and growth in SiC is essential for applications in fusion and fission environments. Here we report the evolution of microstructure in nano-engineered (NE) 3C SiC, pre-implanted with helium, under heavy ion irradiation at 700 °C up to doses of 30 displacements per atom (dpa). Elastic recoil detection analysis confirms that the as-implanted helium depth profile does not change under irradiation to 30 dpa at 700 °C. While the helium bubble size distribution becomes narrower with increasing dose, the average size of bubbles remains unchanged and the density of bubbles increases somewhat with dose. Thesemore » results are consistent with a long helium bubble incubation process under continued irradiation at 700 °C up to 30 dpa, similar to that reported under dual and triple beam irradiation at much higher temperatures. The formation of bubbles at this low temperature is enhanced by the nano-layered stacking fault structure in the NE SiC, which enhances point defect mobility parallel to the stacking faults. Here, this stacking fault structure is stable at 700 °C up to 30 dpa and suppresses the formation of dislocation loops normally observed under these irradiation conditions.« less

Structure and energetics of extended defects in ice Ih

NASA Astrophysics Data System (ADS)

Silva Junior, Domingos L.; de Koning, Maurice

2012-01-01

We consider the molecular structure and energetics of extended defects in proton-disordered hexagonal ice Ih. Using plane-wave density functional theory (DFT) calculations, we compute the energetics of stacking faults and determine the structure of the 30∘ and 90∘ partial dislocations on the basal plane. Consistent with experimental data, the formation energies of all fully reconstructed stacking faults are found to be very low. This is consistent with the idea that basal-plane glide dislocations in ice Ih are dissociated into partial dislocations separated by an area of stacking fault. For both types of partial dislocation we find a strong tendency toward core reconstruction through pairwise hydrogen-bond reformation. In the case of the 30∘ dislocation, the pairwise hydrogen-bond formation leads to a period-doubling core structure equivalent to that seen in zinc-blende semiconductor crystals. For the 90∘ partial we consider two possible core reconstructions, one in which the periodicity of the structure along the core remains unaltered and another in which it is doubled. The latter is preferred, although the energy difference between both is rather small, so that a coexistence of both reconstructions appears plausible. Our results imply that a mobility theory for dislocations on the basal plane in ice Ih should be based on the idea of reconstructed partial dislocations.

Structural and dynamic characteristics in monolayer square ice.

PubMed

Zhu, YinBo; Wang, FengChao; Wu, HengAn

2017-07-28

When water is constrained between two sheets of graphene, it becomes an intriguing monolayer solid with a square pattern due to the ultrahigh van der Waals pressure. However, the square ice phase has become a matter of debate due to the insufficient experimental interpretation and the slightly rhomboidal feature in simulated monolayer square-like structures. Here, we performed classical molecular dynamics simulations to reveal monolayer square ice in graphene nanocapillaries from the perspective of structure and dynamic characteristics. Monolayer square-like ice (instantaneous snapshot), assembled square-rhombic units with stacking faults, is a long-range ordered structure, in which the square and rhombic units are assembled in an order of alternative distribution, and the other rhombic unit forms stacking faults (polarized water chains). Spontaneous flipping of water molecules in monolayer square-like ice is intrinsic and induces transformations among different elementary units, resulting in the structural evolution of monolayer square ice in dynamics. The existence of stacking faults should be attributed to the spontaneous flipping behavior of water molecules under ambient temperature. Statistical averaging results (thermal average positions) demonstrate the inherent square characteristic of monolayer square ice. The simulated data and insight obtained here might be significant for understanding the topological structure and dynamic behavior of monolayer square ice.

Fractionation of Palliative Radiation Therapy for Bone Metastases in Ontario: Do Practice Guidelines Guide Practice?

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

Ashworth, Allison; Cancer Center of Southeastern Ontario, Kingston, Ontario; Kong, Weidong

Purpose: To evaluate the effect of a provincial practice guideline on the fractionation of palliative radiation therapy for bone metastases (PRT.B) in Ontario. Methods and Materials: The present retrospective study used electronic treatment records linked to Ontario's population-based cancer registry. Hierarchical multivariable regression analysis was used to evaluate temporal trends in the use of single fractions (SFs), controlling for patient-related factors associated with the use of SFs. Results: From 1984 to 2012, 43.9% of 161,835 courses of PRT.B were administered as SFs. The percentage of SF courses was greater for older patients (age <50 years, 39.8% vs age >80 years, 52.5%), thosemore » with a shorter life expectancy (survival >12 months, 36.9% vs < 1 month, 53.6%), and those who lived farther from a radiation therapy center (<10 km, 42.1% vs > 50 km, 47.3%). The percentage of SFs to spinal fields was lower than that to other skeletal sites (31.5% vs 57.1%). The percentage of SFs varied among the cancer centers (range, 26.0%-67.8%). These differences were all highly significant in the multivariable analysis (P<.0001). In 2004, Cancer Care Ontario released a practice guideline endorsing the use of SFs for uncomplicated bone metastases. The rate of use of SFs increased from 42.3% in the pre-guideline period (1999-2003) to 52.6% in the immediate post-guideline period (2004-2007). However, it subsequently decreased again to 44.0% (2009-2012). These temporal trends were significant after controlling for patient-related factors in the multivariable analysis (P<.0001). Large intercenter variations in the use of SFs persisted after publication of the guideline. Conclusions: The publication of an Ontario practice guideline endorsing the use of SF PRT.B was associated with only a transient increase in the use of SFs in Ontario and did little to reduce intercenter variations in fractionation.« less

Atomistically determined phase-field modeling of dislocation dissociation, stacking fault formation, dislocation slip, and reactions in fcc systems

NASA Astrophysics Data System (ADS)

Rezaei Mianroodi, Jaber; Svendsen, Bob

2015-04-01

The purpose of the current work is the development of a phase field model for dislocation dissociation, slip and stacking fault formation in single crystals amenable to determination via atomistic or ab initio methods in the spirit of computational material design. The current approach is based in particular on periodic microelasticity (Wang and Jin, 2001; Bulatov and Cai, 2006; Wang and Li, 2010) to model the strongly non-local elastic interaction of dislocation lines via their (residual) strain fields. These strain fields depend in turn on phase fields which are used to parameterize the energy stored in dislocation lines and stacking faults. This energy storage is modeled here with the help of the "interface" energy concept and model of Cahn and Hilliard (1958) (see also Allen and Cahn, 1979; Wang and Li, 2010). In particular, the "homogeneous" part of this energy is related to the "rigid" (i.e., purely translational) part of the displacement of atoms across the slip plane, while the "gradient" part accounts for energy storage in those regions near the slip plane where atomic displacements deviate from being rigid, e.g., in the dislocation core. Via the attendant global energy scaling, the interface energy model facilitates an atomistic determination of the entire phase field energy as an optimal approximation of the (exact) atomistic energy; no adjustable parameters remain. For simplicity, an interatomic potential and molecular statics are employed for this purpose here; alternatively, ab initio (i.e., DFT-based) methods can be used. To illustrate the current approach, it is applied to determine the phase field free energy for fcc aluminum and copper. The identified models are then applied to modeling of dislocation dissociation, stacking fault formation, glide and dislocation reactions in these materials. As well, the tensile loading of a dislocation loop is considered. In the process, the current thermodynamic picture is compared with the classical mechanical one as based on the Peach-Köhler force.

Effects of alloying element and temperature on the stacking fault energies of dilute Ni-base superalloys.

PubMed

Shang, S L; Zacherl, C L; Fang, H Z; Wang, Y; Du, Y; Liu, Z K

2012-12-19

A systematic study of stacking fault energy (γ(SF)) resulting from induced alias shear deformation has been performed by means of first-principles calculations for dilute Ni-base superalloys (Ni(23)X and Ni(71)X) for various alloying elements (X) as a function of temperature. Twenty-six alloying elements are considered, i.e., Al, Co, Cr, Cu, Fe, Hf, Ir, Mn, Mo, Nb, Os, Pd, Pt, Re, Rh, Ru, Sc, Si, Ta, Tc, Ti, V, W, Y, Zn, and Zr. The temperature dependence of γ(SF) is computed using the proposed quasistatic approach based on a predicted γ(SF)-volume-temperature relationship. Besides γ(SF), equilibrium volume and the normalized stacking fault energy (Γ(SF) = γ(SF)/Gb, with G the shear modulus and b the Burgers vector) are also studied as a function of temperature for the 26 alloying elements. The following conclusions are obtained: all alloying elements X studied herein decrease the γ(SF) of fcc Ni, approximately the further the alloying element X is from Ni on the periodic table, the larger the decrease of γ(SF) for the dilute Ni-X alloy, and roughly the γ(SF) of Ni-X decreases with increasing equilibrium volume. In addition, the values of γ(SF) for all Ni-X systems decrease with increasing temperature (except for Ni-Cr at higher Cr content), and the largest decrease is observed for pure Ni. Similar to the case of the shear modulus, the variation of γ(SF) for Ni-X systems due to various alloying elements is traceable from the distribution of (magnetization) charge density: the spherical distribution of charge density around a Ni atom, especially a smaller sphere, results in a lower value of γ(SF) due to the facility of redistribution of charges. Computed stacking fault energies and the related properties are in favorable accord with available experimental and theoretical data.

A novel micro-Raman technique to detect and characterize 4H-SiC stacking faults

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

Piluso, N., E-mail: nicolo.piluso@imm.cnr.it; Camarda, M.; La Via, F.

A novel Micro-Raman technique was designed and used to detect extended defects in 4H-SiC homoepitaxy. The technique uses above band-gap high-power laser densities to induce a local increase of free carriers in undoped epitaxies (n < 10{sup 16} at/cm{sup −3}), creating an electronic plasma that couples with the longitudinal optical (LO) Raman mode. The Raman shift of the LO phonon-plasmon-coupled mode (LOPC) increases as the free carrier density increases. Crystallographic defects lead to scattering or recombination of the free carriers which results in a loss of coupling with the LOPC, and in a reduction of the Raman shift. Given that the LOmore » phonon-plasmon coupling is obtained thanks to the free carriers generated by the high injection level induced by the laser, we named this technique induced-LOPC (i-LOPC). This technique allows the simultaneous determination of both the carrier lifetime and carrier mobility. Taking advantage of the modifications on the carrier lifetime induced by extended defects, we were able to determine the spatial morphology of stacking faults; the obtained morphologies were found to be in excellent agreement with those provided by standard photoluminescence techniques. The results show that the detection of defects via i-LOPC spectroscopy is totally independent from the stacking fault photoluminescence signals that cover a large energy range up to 0.7 eV, thus allowing for a single-scan simultaneous determination of any kind of stacking fault. Combining the i-LOPC method with the analysis of the transverse optical mode, the micro-Raman characterization can determine the most important properties of unintentionally doped film, including the stress status of the wafer, lattice impurities (point defects, polytype inclusions) and a detailed analysis of crystallographic defects, with a high spectral and spatial resolution.« less

Comparison of scattering and reflection SFG: a question of phase-matching.

PubMed

de Aguiar, Hilton B; Scheu, Rüdiger; Jena, Kailash C; de Beer, Alex G F; Roke, Sylvie

2012-05-21

We present a comparison between sum frequency scattering (SFS) and reflection mode sum frequency generation (R-SFG). We have used scattering theory to describe both scattering experiments as well as reflection mode experiments. The interfacial vibrational spectrum of nanoscopic oil droplets dispersed in water was probed with SFS as well as with R-SFG. Spectra recorded in phase-matched R-SFG mode and spectra recorded with SFS from the same sample are different, which shows that different interfaces are measured. Scattering spectra at different scattering angles agree with nonlinear light scattering theory. We further present experiments with polymer films aimed at quantifying the comparative strength of R-SFG and SFS experiments.

Clustering on Magnesium Surfaces - Formation and Diffusion Energies.

PubMed

Chu, Haijian; Huang, Hanchen; Wang, Jian

2017-07-12

The formation and diffusion energies of atomic clusters on Mg surfaces determine the surface roughness and formation of faulted structure, which in turn affect the mechanical deformation of Mg. This paper reports first principles density function theory (DFT) based quantum mechanics calculation results of atomic clustering on the low energy surfaces {0001} and [Formula: see text]. In parallel, molecular statics calculations serve to test the validity of two interatomic potentials and to extend the scope of the DFT studies. On a {0001} surface, a compact cluster consisting of few than three atoms energetically prefers a face-centered-cubic stacking, to serve as a nucleus of stacking fault. On a [Formula: see text], clusters of any size always prefer hexagonal-close-packed stacking. Adatom diffusion on surface [Formula: see text] is high anisotropic while isotropic on surface (0001). Three-dimensional Ehrlich-Schwoebel barriers converge as the step height is three atomic layers or thicker. Adatom diffusion along steps is via hopping mechanism, and that down steps is via exchange mechanism.

Acoustic and other factors relating to the use of sound field systems in classrooms

NASA Astrophysics Data System (ADS)

Carey, Anne; Shield, Bridget; Dockrell, Julie; Rigby, Kate

2005-04-01

A study has been made of thirty-five primary school classrooms which have Sound Field Systems (SFS) installed. Acoustic surveys of the classrooms have been undertaken and detailed observations made of the physical characteristics of each room such as its construction and design, plus any acoustic treatment. The positioning and type, e.g., column or separate speakers, of SFS installed were also noted. Details of the procedures for purchasing, installing, and maintaining the SFS were obtained where possible, together with information concerning training of teachers in their use. Results from these surveys suggest that in many cases SFS are installed in rooms where their performance may be compromised because of inadequate acoustic conditions. Additionally problems may arise due to inappropriate installation, choice of system, poor maintenance, or lack of training. The effectiveness of acoustic treatment such as absorption applied to ceilings and walls has also been investigated in a range of classrooms and its impact on the use of SFS considered.

Can the Site-Frequency Spectrum Distinguish Exponential Population Growth from Multiple-Merger Coalescents?

PubMed Central

Eldon, Bjarki; Birkner, Matthias; Blath, Jochen; Freund, Fabian

2015-01-01

The ability of the site-frequency spectrum (SFS) to reflect the particularities of gene genealogies exhibiting multiple mergers of ancestral lines as opposed to those obtained in the presence of population growth is our focus. An excess of singletons is a well-known characteristic of both population growth and multiple mergers. Other aspects of the SFS, in particular, the weight of the right tail, are, however, affected in specific ways by the two model classes. Using an approximate likelihood method and minimum-distance statistics, our estimates of statistical power indicate that exponential and algebraic growth can indeed be distinguished from multiple-merger coalescents, even for moderate sample sizes, if the number of segregating sites is high enough. A normalized version of the SFS (nSFS) is also used as a summary statistic in an approximate Bayesian computation (ABC) approach. The results give further positive evidence as to the general eligibility of the SFS to distinguish between the different histories. PMID:25575536

Butanol production from lignocellulose by simultaneous fermentation, saccharification, and pervaporation or vacuum evaporation.

PubMed

Díaz, Víctor Hugo Grisales; Tost, Gerard Olivar

2016-10-01

Techno-economic study of acetone, butanol and ethanol (ABE) fermentation from lignocellulose was performed. Simultaneous saccharification, fermentation and vacuum evaporation (SFS-V) or pervaporation (SFS-P) were proposed. A kinetic model of metabolic pathways for ABE fermentation with the effect of phenolics and furans in the growth was proposed based on published laboratory results. The processes were optimized in Matlab®. The end ABE purification was carried out by heat-integrated distillation. The objective function of the minimization was the total annualized cost (TAC). Fuel consumption of SFS-P using poly[1-(trimethylsilyl)-1-propyne] membrane was between 13.8 and 19.6% lower than SFS-V. Recovery of furans and phenolics for the hybrid reactors was difficult for its high boiling point. TAC of SFS-P was increased 1.9 times with supplementation of phenolics and furans to 3g/l each one for its high toxicity. Therefore, an additional detoxification method or an efficient pretreatment process will be necessary. Copyright © 2016 Elsevier Ltd. All rights reserved.

Utilisation of steel furnace slag coarse aggregate in a low calcium fly ash geopolymer concrete

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

Khan, M. S.H.,; Castel, Arnaud; Akbarnezhad, A.

This paper evaluates the performance of steel furnace slag (SFS) coarse aggregate in blended slag and low calcium fly ash geopolymer concrete (GPC). The geopolymer binder is composed of 90% of low calcium fly ash and 10% of ground granulated blast furnace slag (GGBFS). Mechanical and physical properties, shrinkage, and detailed microstructure analysis were carried out. The results showed that geopolymer concrete with SFS aggregate offered higher compressive strength, surface resistivity and pulse velocity than that of GPC with traditional aggregate. The shrinkage results showed no expansion or swelling due to delayed calcium oxide (CaO) hydration after 320 days. Nomore » traditional porous interfacial transition zone (ITZ) was detected using scanning electron microscopy, indicating a better bond between SFS aggregate and geopolymer matrix. Energy dispersive spectroscopy results further revealed calcium (Ca) diffusion at the vicinity of ITZ. Raman spectroscopy results showed no new crystalline phase formed due to Ca diffusion. X-ray fluorescence result showed Mg diffusion from SFS aggregate towards geopolymer matrix. The incorporation of Ca and Mg into the geopolymer structure and better bond between SFS aggregate and geopolymer matrix are the most likely reasons for the higher compressive strength observed in GPC with SFS aggregate.« less

Education, practical training and professional development for public health practitioners: a scoping review of the literature and insights for sustainable food system capacity-building.

PubMed

Wegener, Jessica; Fong, Debbie; Rocha, Cecilia

2018-06-01

Noting the upstream positioning of sustainable food systems (SFS) to multiple global crises, the present review described examples of emerging and promising practices to support SFS-oriented education, practical training (PT) and continuing professional development (CPD) among trainees and public health practitioners (PHP). A secondary objective was to compile the evidence into practical considerations for educators, supervising practitioners and professional associations. A scoping review of the literature published between 2007 and 2017 was conducted in May 2017 using four databases: CINAHL, MEDLINE, Scopus and HSSA, along with bibliography hand-searching and expert consultation. Articles were screened for relevance and specificity by independent raters. Nineteen articles were included for analysis. Two-thirds of the articles related to dietitians and public health nutritionists. Emerging practices included curriculum-based considerations, incorporation of 'sustainability' within professional competencies and self-reflection related to SFS. Descriptions of SFS-related education, PT and CPD practices appeared largely in the literature from developed countries. Articles converged on the need for ecosystems, food systems and sustainability considerations within and across practice to support current and future practitioners. There is growing interest in SFS but guidance to support educators and preceptors is lacking. Updates to dietary guidelines to reflect issues of sustainability are a timely prompt to examine the education, training and development needs of trainees and PHP. Practical examples of emerging practices can empower PHP to promote SFS in all areas of practice. More research is needed to address identified gaps in the literature and to improve SFS-specific education, PT and CPD.

Seismic Reflectivity of the Crust in the Northern Salton Trough

NASA Astrophysics Data System (ADS)

Bauer, K.; Fuis, G. S.; Goldman, M.; Persaud, P.; Ryberg, T.; Langenheim, V. E.; Scheirer, D. S.; Rymer, M. J.; Hole, J. A.; Stock, J. M.; Catchings, R.

2015-12-01

The Salton Trough in southern California is a tectonically active pull-apart basin that was formed by migrating step-overs between strike-slip faults, of which the San Andreas Fault (SAF) and the Imperial Fault are the current, northernmost examples. The Salton Seismic Imaging Project (SSIP) was undertaken to improve our knowledge of fault geometry and seismic velocities within the sedimentary basins and underlying crystalline crust around the SAF. Such data are useful as input for modeling scenarios of strong ground shaking in the surrounding high-population areas. We used pre-stack depth migration of line segments from shot gathers in several seismic profiles that were acquired in the northern part of the SSIP study area (Lines 4 - 7). Our migration approach can be considered as an infinite-frequency approximation of the Fresnel volume pre-stack depth migration method. We use line segments instead of the original waveform data. We demonstrate the method using synthetic data and analyze real data from Lines 4 - 7 to illustrate the relationship between distinct phases in the time domain and their resulting image at depth. We show both normal-moveout reflections from sub-horizontal interfaces and reverse-moveout reflections from steep interfaces, such as faults. Migrated images of dipping faults, such as the SAF and the Pinto Mountain Fault, are presented in this way. The SAF is imaged along Line 4, through the Mecca Hills, as a number of steeply dipping fault segments that collectively form a flower structure, above 5 km depth, that sole into a moderately NE-dipping fault below that depth. The individual migrated reflection packages correlate with mapped surface fault traces in the Mecca Hills. A similar geometry is seen on Line 6, from Palm Springs through Yucca Valley, where fault splays sole or project into a moderately dipping SAF below 10-km depth. We also show and discuss the reflectivity pattern of the middle and lower crust for Lines 4 - 7.

Understanding the gut-kidney axis in nephrolithiasis: an analysis of the gut microbiota composition and functionality of stone formers.

PubMed

Ticinesi, Andrea; Milani, Christian; Guerra, Angela; Allegri, Franca; Lauretani, Fulvio; Nouvenne, Antonio; Mancabelli, Leonardo; Lugli, Gabriele Andrea; Turroni, Francesca; Duranti, Sabrina; Mangifesta, Marta; Viappiani, Alice; Ferrario, Chiara; Dodi, Rossella; Dall'Asta, Margherita; Del Rio, Daniele; Ventura, Marco; Meschi, Tiziana

2018-04-28

The involvement of the gut microbiota in the pathogenesis of calcium nephrolithiasis has been hypothesised since the discovery of the oxalate-degrading activity of Oxalobacter formigenes , but never comprehensively studied with metagenomics. The aim of this case-control study was to compare the faecal microbiota composition and functionality between recurrent idiopathic calcium stone formers (SFs) and controls. Faecal samples were collected from 52 SFs and 48 controls (mean age 48±11). The microbiota composition was analysed through 16S rRNA microbial profiling approach. Ten samples (five SFs, five controls) were also analysed with deep shotgun metagenomics sequencing, with focus on oxalate-degrading microbial metabolic pathways. Dietary habits, assessed through a food-frequency questionnaire, and 24-hour urinary excretion of prolithogenic and antilithogenic factors, including calcium and oxalate, were compared between SFs and controls, and considered as covariates in the comparison of microbiota profiles. SFs exhibited lower faecal microbial diversity than controls (Chao1 index 1460±363vs 1658±297, fully adjusted p=0.02 with stepwise backward regression analysis). At multivariate analyses, three taxa ( Faecalibacterium , Enterobacter , Dorea ) were significantly less represented in faecal samples of SFs. The Oxalobacter abundance was not different between groups. Faecal samples from SFs exhibited a significantly lower bacterial representation of genes involved in oxalate degradation, with inverse correlation with 24-hour oxalate excretion (r=-0.87, p=0.002). The oxalate-degrading genes were represented in several bacterial species, whose cumulative abundance was inversely correlated with oxaluria (r=-0.85, p=0.02). Idiopathic calcium SFs exhibited altered gut microbiota composition and functionality that could contribute to nephrolithiasis physiopathology. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2018. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

Relative Spatial Frequency Processing Drives Hemispheric Asymmetry in Conscious Awareness

PubMed Central

Piazza, Elise A.; Silver, Michael A.

2017-01-01

Visual stimuli with different spatial frequencies (SFs) are processed asymmetrically in the two cerebral hemispheres. Specifically, low SFs are processed relatively more efficiently in the right hemisphere than the left hemisphere, whereas high SFs show the opposite pattern. In this study, we ask whether these differences between the two hemispheres reflect a low-level division that is based on absolute SF values or a flexible comparison of the SFs in the visual environment at any given time. In a recent study, we showed that conscious awareness of SF information (i.e., visual perceptual selection from multiple SFs simultaneously present in the environment) differs between the two hemispheres. Building upon that result, here we employed binocular rivalry to test whether this hemispheric asymmetry is due to absolute or relative SF processing. In each trial, participants viewed a pair of rivalrous orthogonal gratings of different SFs, presented either to the left or right of central fixation, and continuously reported which grating they perceived. We found that the hemispheric asymmetry in perception is significantly influenced by relative processing of the SFs of the simultaneously presented stimuli. For example, when a medium SF grating and a higher SF grating were presented as a rivalry pair, subjects were more likely to report that they initially perceived the medium SF grating when the rivalry pair was presented in the left visual hemifield (right hemisphere), compared to the right hemifield. However, this same medium SF grating, when it was paired in rivalry with a lower SF grating, was more likely to be perceptually selected when it was in the right visual hemifield (left hemisphere). Thus, the visual system’s classification of a given SF as “low” or “high” (and therefore, which hemisphere preferentially processes that SF) depends on the other SFs that are present, demonstrating that relative SF processing contributes to hemispheric differences in visual perceptual selection. PMID:28469585

Validation of the German Version of the Social Functioning Scale (SFS) for schizophrenia.

PubMed

Iffland, Jona R; Lockhofen, Denise; Gruppe, Harald; Gallhofer, Bernd; Sammer, Gebhard; Hanewald, Bernd

2015-01-01

Deficits in social functioning are a core symptom of schizophrenia and an important criterion for evaluating the success of treatment. However, there is little agreement regarding its measurement. A common, often cited instrument for assessing self-reported social functioning is the Social Functioning Scale (SFS). The study aimed to investigate the reliability and validity of the German translation. 101 patients suffering from schizophrenia (SZ) and 101 matched controls (C) (60 male / 41 female, 35.8 years in both groups) completed the German version. In addition, demographic, clinical, and functional data were collected. Internal consistency was investigated calculating Cronbach's alpha for SFS full scale (α: .81) and all subscales (α: .59-.88). Significant bivariate correlation coefficients were found between all subscales as well as between all subscales and full scale (p <.01). For the total sample, principal component analysis gave evidence to prefer a single-factor solution (eigenvalue ≥ 1) accounting for 48.5 % of the variance. For the subsamples, a two-component solution (SZ; 57.0 %) and a three-component solution (C; 65.6 %) fitted best, respectively. For SZ and C, significant associations were found between SFS and external criteria. The main factor "group" emerged as being significant. C showed higher values on both subscales and full scale. The sensitivity of the SFS was examined using discriminant analysis. 86.5% of the participants could be categorized correctly to their actual group. The German translation of the SFS turned out to be a reliable and valid questionnaire comparable to the original English version. This is in line with Spanish and Norwegian translations of the SFS. Concluding, the German version of the SFS is well suited to become a useful and practicable instrument for the assessment of social functioning in both clinical practice and research. It accomplishes commonly used external assessment scales.

Atomistic structures of nano-engineered SiC and radiation-induced amorphization resistance

NASA Astrophysics Data System (ADS)

Imada, Kenta; Ishimaru, Manabu; Sato, Kazuhisa; Xue, Haizhou; Zhang, Yanwen; Shannon, Steven; Weber, William J.

2015-10-01

Nano-engineered 3C-SiC thin films, which possess columnar structures with high-density stacking faults and twins, were irradiated with 2 MeV Si ions at cryogenic and room temperatures. From cross-sectional transmission electron microscopy observations in combination with Monte Carlo simulations based on the Stopping and Range of Ions in Matter code, it was found that their amorphization resistance is six times greater than bulk crystalline SiC at room temperature. High-angle bright-field images taken by spherical aberration corrected scanning transmission electron microscopy revealed that the distortion of atomic configurations is localized near the stacking faults. The resultant strain field probably contributes to the enhancement of radiation tolerance of this material.

Stacking fault energy of face-centered cubic metals: thermodynamic and ab initio approaches

NASA Astrophysics Data System (ADS)

Li, Ruihuan; Lu, Song; Kim, Dongyoo; Schönecker, Stephan; Zhao, Jijun; Kwon, Se Kyun; Vitos, Levente

2016-10-01

The formation energy of the interface between face-centered cubic (fcc) and hexagonal close packed (hcp) structures is a key parameter in determining the stacking fault energy (SFE) of fcc metals and alloys using thermodynamic calculations. It is often assumed that the contribution of the planar fault energy to the SFE has the same order of magnitude as the bulk part, and thus the lack of precise information about it can become the limiting factor in thermodynamic predictions. Here, we differentiate between the interfacial energy for the coherent fcc(1 1 1)/hcp(0 0 0 1) interface and the ‘pseudo-interfacial energy’ that enters the thermodynamic expression for the SFE. Using first-principles calculations, we determine the coherent and pseudo-interfacial energies for six elemental metals (Al, Ni, Cu, Ag, Pt, and Au) and three paramagnetic Fe-Cr-Ni alloys. Our results show that the two interfacial energies significantly differ from each other. We observe a strong chemistry dependence for both interfacial energies. The calculated pseudo-interfacial energies for the Fe-Cr-Ni steels agree well with the available literature data. We discuss the effects of strain on the description of planar faults via thermodynamic and ab initio approaches.

Stacking fault energy of face-centered cubic metals: thermodynamic and ab initio approaches.

PubMed

Li, Ruihuan; Lu, Song; Kim, Dongyoo; Schönecker, Stephan; Zhao, Jijun; Kwon, Se Kyun; Vitos, Levente

2016-10-05

The formation energy of the interface between face-centered cubic (fcc) and hexagonal close packed (hcp) structures is a key parameter in determining the stacking fault energy (SFE) of fcc metals and alloys using thermodynamic calculations. It is often assumed that the contribution of the planar fault energy to the SFE has the same order of magnitude as the bulk part, and thus the lack of precise information about it can become the limiting factor in thermodynamic predictions. Here, we differentiate between the interfacial energy for the coherent fcc(1 1 1)/hcp(0 0 0 1) interface and the 'pseudo-interfacial energy' that enters the thermodynamic expression for the SFE. Using first-principles calculations, we determine the coherent and pseudo-interfacial energies for six elemental metals (Al, Ni, Cu, Ag, Pt, and Au) and three paramagnetic Fe-Cr-Ni alloys. Our results show that the two interfacial energies significantly differ from each other. We observe a strong chemistry dependence for both interfacial energies. The calculated pseudo-interfacial energies for the Fe-Cr-Ni steels agree well with the available literature data. We discuss the effects of strain on the description of planar faults via thermodynamic and ab initio approaches.

Spectral pattern recognition of controlled substances in street samples using artificial neural network system

NASA Astrophysics Data System (ADS)

Poryvkina, Larisa; Aleksejev, Valeri; Babichenko, Sergey M.; Ivkina, Tatjana

2011-04-01

The NarTest fluorescent technique is aimed at the detection of analyte of interest in street samples by recognition of its specific spectral patterns in 3-dimentional Spectral Fluorescent Signatures (SFS) measured with NTX2000 analyzer without chromatographic or other separation of controlled substances from a mixture with cutting agents. The illicit drugs have their own characteristic SFS features which can be used for detection and identification of narcotics, however typical street sample consists of a mixture with cutting agents: adulterants and diluents. Many of them interfere the spectral shape of SFS. The expert system based on Artificial Neural Networks (ANNs) has been developed and applied for such pattern recognition in SFS of street samples of illicit drugs.

Process evaluation of a sport-for-health intervention to prevent smoking amongst primary school children: SmokeFree Sports.

PubMed

Trigwell, Joanne; McGee, Ciara E; Murphy, Rebecca C; Porcellato, Lorna A; Ussher, Michael; Garnham-Lee, Katy; Knowles, Zoe R; Foweather, Lawrence

2015-04-10

SmokeFree Sports (SFS) was a multi-component sport-for-health intervention aiming at preventing smoking among nine to ten year old primary school children from North West England. The purpose of this study was to evaluate the process and implementation of SFS, examining intervention reach, dose, fidelity, acceptability and sustainability, in order to understand the feasibility and challenges of delivering such interventions and inform interpretations of intervention effectiveness. Process measures included: booking logs, 18 focus groups with children (n = 95), semi-structured interviews with teachers (n = 20) and SFS coaches (n = 7), intervention evaluation questionnaires (completed by children, n = 1097; teachers, n = 50), as well direct observations (by researchers, n = 50 observations) and self-evaluations (completed by teachers, n = 125) of intervention delivery (e.g. length of sessions, implementation of activities as intended, children's engagement and barriers). Descriptive statistics and thematic analysis were applied to quantitative and qualitative data, respectively. Overall, SFS reached 30.8% of eligible schools, with 1073 children participating in the intervention (across 32 schools). Thirty-one schools completed the intervention in full. Thirty-three teachers (55% female) and 11 SFS coaches (82% male) attended a bespoke SFS training workshop. Disparities in intervention duration (range = 126 to 201 days), uptake (only 25% of classes received optional intervention components in full), and the extent to which core (mean fidelity score of coaching sessions = 58%) and optional components (no adaptions made = 51% of sessions) were delivered as intended, were apparent. Barriers to intervention delivery included the school setting and children's behaviour and knowledge. SFS was viewed positively (85% and 82% of children and teachers, respectively, rated SFS five out of five) and recommendations to increase school engagement were provided. SFS was considered acceptable to children, teachers and coaches. Nevertheless, efforts to enhance intervention reach (at the school level), teachers' engagement and sustainability must be considered. Variations in dose and fidelity likely reflect challenges associated with complex intervention delivery within school settings and thus a flexible design may be necessary. This study adds to the limited scientific evidence base surrounding sport-for-health interventions and their implementation, and suggests that such interventions offer a promising tool for engaging children in activities which promote their health.

The aggregate site frequency spectrum for comparative population genomic inference.

PubMed

Xue, Alexander T; Hickerson, Michael J

2015-12-01

Understanding how assemblages of species responded to past climate change is a central goal of comparative phylogeography and comparative population genomics, an endeavour that has increasing potential to integrate with community ecology. New sequencing technology now provides the potential to perform complex demographic inference at unprecedented resolution across assemblages of nonmodel species. To this end, we introduce the aggregate site frequency spectrum (aSFS), an expansion of the site frequency spectrum to use single nucleotide polymorphism (SNP) data sets collected from multiple, co-distributed species for assemblage-level demographic inference. We describe how the aSFS is constructed over an arbitrary number of independent population samples and then demonstrate how the aSFS can differentiate various multispecies demographic histories under a wide range of sampling configurations while allowing effective population sizes and expansion magnitudes to vary independently. We subsequently couple the aSFS with a hierarchical approximate Bayesian computation (hABC) framework to estimate degree of temporal synchronicity in expansion times across taxa, including an empirical demonstration with a data set consisting of five populations of the threespine stickleback (Gasterosteus aculeatus). Corroborating what is generally understood about the recent postglacial origins of these populations, the joint aSFS/hABC analysis strongly suggests that the stickleback data are most consistent with synchronous expansion after the Last Glacial Maximum (posterior probability = 0.99). The aSFS will have general application for multilevel statistical frameworks to test models involving assemblages and/or communities, and as large-scale SNP data from nonmodel species become routine, the aSFS expands the potential for powerful next-generation comparative population genomic inference. © 2015 The Authors. Molecular Ecology Published by John Wiley & Sons Ltd.

Scoring of Side-Chain Packings: An Analysis of Weight Factors and Molecular Dynamics Structures.

PubMed

Colbes, Jose; Aguila, Sergio A; Brizuela, Carlos A

2018-02-26

The protein side-chain packing problem (PSCPP) is a central task in computational protein design. The problem is usually modeled as a combinatorial optimization problem, which consists of searching for a set of rotamers, from a given rotamer library, that minimizes a scoring function (SF). The SF is a weighted sum of terms, that can be decomposed in physics-based and knowledge-based terms. Although there are many methods to obtain approximate solutions for this problem, all of them have similar performances and there has not been a significant improvement in recent years. Studies on protein structure prediction and protein design revealed the limitations of current SFs to achieve further improvements for these two problems. In the same line, a recent work reported a similar result for the PSCPP. In this work, we ask whether or not this negative result regarding further improvements in performance is due to (i) an incorrect weighting of the SFs terms or (ii) the constrained conformation resulting from the protein crystallization process. To analyze these questions, we (i) model the PSCPP as a bi-objective combinatorial optimization problem, optimizing, at the same time, the two most important terms of two SFs of state-of-the-art algorithms and (ii) performed a preprocessing relaxation of the crystal structure through molecular dynamics to simulate the protein in the solvent and evaluated the performance of these two state-of-the-art SFs under these conditions. Our results indicate that (i) no matter what combination of weight factors we use the current SFs will not lead to better performances and (ii) the evaluated SFs will not be able to improve performance on relaxed structures. Furthermore, the experiments revealed that the SFs and the methods are biased toward crystallized structures.

Measurement Properties of the Modified Spinal Function Sort (M-SFS): Is It Reliable and Valid in Workers with Chronic Musculoskeletal Pain?

PubMed

Trippolini, Maurizio Alen; Janssen, Svenja; Hilfiker, Roger; Oesch, Peter

2018-06-01

Purpose To analyze the reliability and validity of a picture-based questionnaire, the Modified Spinal Function Sort (M-SFS). Methods Sixty-two injured workers with chronic musculoskeletal disorders (MSD) were recruited from two work rehabilitation centers. Internal consistency was assessed by Cronbach's alpha. Construct validity was tested based on four a priori hypotheses. Structural validity was measured with principal component analysis (PCA). Test-retest reliability and agreement was evaluated using intraclass correlation coefficient (ICC) and measurement error with the limits of agreement (LoA). Results Total score of the M-SFS was 54.4 (SD 16.4) and 56.1 (16.4) for test and retest, respectively. Item distribution showed no ceiling effects. Cronbach's alpha was 0.94 and 0.95 for test and retest, respectively. PCA showed the presence of four components explaining a total of 74% of the variance. Item communalities were >0.6 in 17 out of 20 items. ICC was 0.90, LoA was ±12.6/16.2 points. The correlations between the M-SFS were 0.89 with the original SFS, 0.49 with the Pain Disability Index, -0.37 and -0.33 with the Numeric Rating Scale for actual pain, -0.52 for selfreported disability due to chronic low back pain, and 0.50, 0.56-0.59 with three distinct lifting tests. No a priori defined hypothesis for construct validity was rejected. Conclusions The M-SFS allows reliable and valid assessment of perceived self-efficacy for work-related tasks and can be recommended for use in patients with chronic MSD. Further research should investigate the proposed M-SFS score of <56 for its predictive validity for non-return to work.

A study of the reactivity of S(VI)-F containing warheads with nucleophilic amino-acid side chains under physiological conditions.

PubMed

Mukherjee, H; Debreczeni, J; Breed, J; Tentarelli, S; Aquila, B; Dowling, J E; Whitty, A; Grimster, N P

2017-11-22

Sulfonyl fluorides (SFs) have recently emerged as a promising warhead for the targeted covalent modification of proteins. Despite numerous examples of the successful deployment of SFs as covalent probe compounds, a detailed exploration of the factors influencing the stability and reactivity of SFs has not yet appeared. In this work we present an extensive study on the influence of steric and electronic factors on the reactivity and stability of the SF and related S VI -F groups. While SFs react rapidly with N-acetylcysteine, the resulting adducts were found to be unstable, rendering SFs inappropriate for the durable covalent inhibition of cysteine residues. In contrast, SFs afforded stable adducts with both N-acetyltyrosine and N-acetyllysine; furthermore, we show that the reactivity of arylsulfonyl fluorides towards these nucleophilic amino acids can be predictably modulated by adjusting the electronic properties of the warhead. These trends were largely conserved when the covalent reaction occurred within a protein binding pocket. We have also obtained a crystal structure depicting covalent modification of the catalytic lysine of a tyrosine kinase (FGFR1) by the ATP analog 5'-O-3-((fluorosulfonyl)benzoyl)adenosine (m-FSBA). Highly reactive warheads were demonstrated to be unstable with respect to hydrolysis in buffered aqueous solutions, indicating that warhead reactivity must be carefully tuned to provide optimal rates of protein modification. Our results demonstrate that the reactivity of SFs complements that of more commonly studied acrylamides, and we hope that this work spurs the rational design of novel SF-containing covalent probe compounds and inhibitors, particularly in cases where a suitably positioned cysteine residue is not present.

Influence of frequency on shear fatigue strength of resin composite to enamel bonds using self-etch adhesives.

PubMed

Takamizawa, Toshiki; Scheidel, Donal D; Barkmeier, Wayne W; Erickson, Robert L; Tsujimoto, Akimasa; Latta, Mark A; Miyazaki, Masashi

2016-09-01

The purpose of this study was to determine the influence of different frequency rates on of bond durability of self-etch adhesives to enamel using shear fatigue strength (SFS) testing. A two-step self-etch adhesive (OX, OptiBond XTR), and two single step self-etch adhesives (GB, G-ӕnial Bond and SU, Scotchbond Universal) were used in this study. The shear fatigue strength (SFS) to enamel was obtained. A staircase method was used to determine the SFS values with 50,000 cycles or until failure occurred. Fatigue testing was performed at frequencies of 5Hz, 10Hz, and 20Hz. For each test condition, 30 specimens were prepared for the SFS testing. Regardless of the bond strength test method, OX showed significantly higher SFS values than the two single-step self-etch adhesives. For each of the three individual self-etch adhesives, there was no significant difference in SFS depending on the frequency rate, although 20Hz results tended to be higher. Regardless of the self-etch adhesive system, frequencies of 5Hz, 10Hz, and 20Hz produced similar results in fatigue strength of resin composite bonded to enamel using 50,000 cycles or until bond failure. Accelerated fatigue testing provides valuable information regarding the long term durability of resin composite to enamel bonding using self-etch adhesive system. Copyright © 2016 Elsevier Ltd. All rights reserved.

Improvement of optical quality of semipolar (11 2 ¯ 2 ) GaN on m-plane sapphire by in-situ epitaxial lateral overgrowth

NASA Astrophysics Data System (ADS)

Monavarian, Morteza; Izyumskaya, Natalia; Müller, Marcus; Metzner, Sebastian; Veit, Peter; Can, Nuri; Das, Saikat; Özgür, Ümit; Bertram, Frank; Christen, Jürgen; Morkoç, Hadis; Avrutin, Vitaliy

2016-04-01

Among the major obstacles for development of non-polar and semipolar GaN structures on foreign substrates are stacking faults which deteriorate the structural and optical quality of the material. In this work, an in-situ SiNx nano-network has been employed to achieve high quality heteroepitaxial semipolar (11 2 ¯ 2 ) GaN on m-plane sapphire with reduced stacking fault density. This approach involves in-situ deposition of a porous SiNx interlayer on GaN that serves as a nano-mask for the subsequent growth, which starts in the nanometer-sized pores (window regions) and then progresses laterally as well, as in the case of conventional epitaxial lateral overgrowth (ELO). The inserted SiNx nano-mask effectively prevents the propagation of defects, such as dislocations and stacking faults, in the growth direction and thus reduces their density in the overgrown layers. The resulting semipolar (11 2 ¯ 2 ) GaN layers exhibit relatively smooth surface morphology and improved optical properties (PL intensity enhanced by a factor of 5 and carrier lifetimes by 35% to 85% compared to the reference semipolar (11 2 ¯ 2 ) GaN layer) which approach to those of the c-plane in-situ nano-ELO GaN reference and, therefore, holds promise for light emitting and detecting devices.

COBRA-SFS thermal-hydraulic analysis code for spent fuel storage and transportation casks: Models and methods

DOE PAGES

Michener, Thomas E.; Rector, David R.; Cuta, Judith M.

2017-09-01

COBRA-SFS, a thermal-hydraulics code developed for steady-state and transient analysis of multi-assembly spent-fuel storage and transportation systems, has been incorporated into the Used Nuclear Fuel-Storage, Transportation and Disposal Analysis Resource and Data System tool as a module devoted to spent fuel package thermal analysis. This paper summarizes the basic formulation of the equations and models used in the COBRA-SFS code, showing that COBRA-SFS fully captures the important physical behavior governing the thermal performance of spent fuel storage systems, with internal and external natural convection flow patterns, and heat transfer by convection, conduction, and thermal radiation. Of particular significance is themore » capability for detailed thermal radiation modeling within the fuel rod array.« less

COBRA-SFS thermal-hydraulic analysis code for spent fuel storage and transportation casks: Models and methods

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

Michener, Thomas E.; Rector, David R.; Cuta, Judith M.

COBRA-SFS, a thermal-hydraulics code developed for steady-state and transient analysis of multi-assembly spent-fuel storage and transportation systems, has been incorporated into the Used Nuclear Fuel-Storage, Transportation and Disposal Analysis Resource and Data System tool as a module devoted to spent fuel package thermal analysis. This paper summarizes the basic formulation of the equations and models used in the COBRA-SFS code, showing that COBRA-SFS fully captures the important physical behavior governing the thermal performance of spent fuel storage systems, with internal and external natural convection flow patterns, and heat transfer by convection, conduction, and thermal radiation. Of particular significance is themore » capability for detailed thermal radiation modeling within the fuel rod array.« less

Atomic configurations at InAs partial dislocation cores associated with Z-shape faulted dipoles.

PubMed

Li, Luying; Gan, Zhaofeng; McCartney, Martha R; Liang, Hanshuang; Yu, Hongbin; Gao, Yihua; Wang, Jianbo; Smith, David J

2013-11-15

The atomic arrangements of two types of InAs dislocation cores associated by a Z-shape faulted dipole are observed directly by aberration-corrected high-angle annular-dark-field imaging. Single unpaired columns of different atoms in a matrix of dumbbells are clearly resolved, with observable variations of bonding lengths due to excess Coulomb force from bare ions at the dislocation core. The corresponding geometric phase analysis provides confirmation that the dislocation cores serve as origins of strain field inversion while stacking faults maintain the existing strain status.

Diffraction Seismic Imaging of the Chalk Group Reservoir Rocks

NASA Astrophysics Data System (ADS)

Montazeri, M.; Fomel, S.; Nielsen, L.

2016-12-01

In this study we investigate seismic diffracted waves instead of seismic reflected waves, which are usually much stronger and carry most of the information regarding subsurface structures. The goal of this study is to improve imaging of small subsurface features such as faults and fractures. Moreover, we focus on the Chalk Group, which contains important groundwater resources onshore and oil and gas reservoirs in the Danish sector of the North Sea. Finding optimum seismic velocity models for the Chalk Group and estimating high-quality stacked sections with conventional processing methods are challenging tasks. Here, we try to filter out as much as possible of undesired arrivals before stacking the seismic data. Further, a plane-wave destruction method is applied on the seismic stack in order to dampen the reflection events and thereby enhance the visibility of the diffraction events. After this initial processing, we estimate the optimum migration velocity using diffraction events in order to obtain a better resolution stack. The results from this study demonstrate how diffraction imaging can be used as an additional tool for improving the images of small-scale features in the Chalk Group reservoir, in particular faults and fractures. Moreover, we discuss the potential of applying this approach in future studies focused on such reservoirs.

Structural modifications due to interface chemistry at metal-nitride interfaces

DOE PAGES

Yadav, S. K.; Shao, S.; Wang, J.; ...

2015-11-27

Based on accurate first principles density functional theory (DFT) calculations, an unusual phenomenon of interfacial structural modifications, due to the interface chemistry influence is identified at two metal-nitride interfaces with strong metal-nitrogen affinity, Al/TiN {111} and Al/VN {111} interfaces. It is shown that at such interfaces, a faulted stacking structure is energetically preferred on the Al side of the interface. And both intrinsic and extrinsic stacking fault energies in the vicinity Al layers are negligibly small. However, such phenomenon does not occur in Pt/TiN and Pt/VN interfaces because of the weak Pt-N affinity. As a result, corresponding to structural energiesmore » of metal-nitride interfaces, the linear elasticity analysis predicts characteristics of interfacial misfit dislocations at metal-nitride interfaces.« less

Structural modifications due to interface chemistry at metal-nitride interfaces

PubMed Central

Yadav, S. K.; Shao, S.; Wang, J.; Liu, X.-Y.

2015-01-01

Based on accurate first principles density functional theory (DFT) calculations, an unusual phenomenon of interfacial structural modifications, due to the interface chemistry influence is identified at two metal-nitride interfaces with strong metal-nitrogen affinity, Al/TiN {111} and Al/VN {111} interfaces. It is shown that at such interfaces, a faulted stacking structure is energetically preferred on the Al side of the interface. And both intrinsic and extrinsic stacking fault energies in the vicinity Al layers are negligibly small. However, such phenomenon does not occur in Pt/TiN and Pt/VN interfaces because of the weak Pt-N affinity. Corresponding to structural energies of metal-nitride interfaces, the linear elasticity analysis predicts characteristics of interfacial misfit dislocations at metal-nitride interfaces. PMID:26611639

Atomistic structures of nano-engineered SiC and radiation-induced amorphization resistance

DOE PAGES

Imada, Kenta; Ishimaru, Manabu; Sato, Kazuhisa; ...

2015-06-18

In this paper, nano-engineered 3C–SiC thin films, which possess columnar structures with high-density stacking faults and twins, were irradiated with 2 MeV Si ions at cryogenic and room temperatures. From cross-sectional transmission electron microscopy observations in combination with Monte Carlo simulations based on the Stopping and Range of Ions in Matter code, it was found that their amorphization resistance is six times greater than bulk crystalline SiC at room temperature. High-angle bright-field images taken by spherical aberration corrected scanning transmission electron microscopy revealed that the distortion of atomic configurations is localized near the stacking faults. Finally, the resultant strain fieldmore » probably contributes to the enhancement of radiation tolerance of this material.« less

Wurtzite/zinc-blende electronic-band alignment in basal-plane stacking faults in semi-polar GaN

NASA Astrophysics Data System (ADS)

Monavarian, Morteza; Hafiz, Shopan; Izyumskaya, Natalia; Das, Saikat; Özgür, Ümit; Morkoç, Hadis; Avrutin, Vitaliy

2016-02-01

Heteroepitaxial semipolar and nonpolar GaN layers often suffer from high densities of extended defects including basal plane stacking faults (BSFs). BSFs which are considered as inclusions of cubic zinc-blende phase in wurtzite matrix act as quantum wells strongly affecting device performance. Band alignment in BSFs has been discussed as type of band alignment at the wurtzite/zinc blende interface governs the response in differential transmission; fast decay after the pulse followed by slow recovery due to spatial splitting of electrons and heavy holes for type- II band alignment in contrast to decay with no recovery in case of type I band alignment. Based on the results, band alignment is demonstrated to be of type II in zinc-blende segments in wurtzite matrix as in BSFs.

Influence of Etching Mode on Enamel Bond Durability of Universal Adhesive Systems.

PubMed

Suzuki, T; Takamizawa, T; Barkmeier, W W; Tsujimoto, A; Endo, H; Erickson, R L; Latta, M A; Miyazaki, M

2016-01-01

The purpose of this study was to determine the enamel bond durability of three universal adhesives in different etching modes through fatigue testing. The three universal adhesives used were Scotchbond Universal, Prime&Bond Elect universal dental adhesive, and All-Bond Universal light-cured dental adhesive. A single-step self-etch adhesive, Clearfil S 3 Bond Plus was used as a control. The shear bond strength (SBS) and shear fatigue strength (SFS) to human enamel were evaluated in total-etch mode and self-etch mode. A stainless steel metal ring with an internal diameter of 2.4 mm was used to bond the resin composite to the flat-ground (4000-grit) tooth surfaces for determination of both SBS and SFS. For each enamel surface treatment, 15 specimens were prepared for SBS and 30 specimens for SFS. The staircase method for fatigue testing was then used to determine the SFS of the resin composite bonded to the enamel using 10-Hz frequencies for 50,000 cycles or until failure occurred. Scanning electron microscopy was used to observe representative debonded specimen surfaces and the resin-enamel interfaces. A two-way analysis of variance and the Tukey post hoc test were used for analysis of the SBS data, whereas a modified t-test with Bonferroni correction was used for the SFS data. All adhesives in total-etch mode showed significantly higher SBS and SFS values than those in self-etch mode. Although All-Bond Universal in self-etch mode showed a significantly lower SBS value than the other adhesives, there was no significant difference in SFS values among the adhesives in this mode. All adhesives showed higher SFS:SBS ratios in total-etch mode than in self-etch mode. With regard to the adhesive systems used in this study, universal adhesives showed higher enamel bond strengths in total-etch mode. Although the influence of different etching modes on the enamel-bonding performance of universal adhesives was found to be dependent on the adhesive material, total-etch mode effectively increased the enamel bond strength and durability, as measured by fatigue testing.

The Design of a Fault-Tolerant COTS-Based Bus Architecture for Space Applications

NASA Technical Reports Server (NTRS)

Chau, Savio N.; Alkalai, Leon; Tai, Ann T.

2000-01-01

The high-performance, scalability and miniaturization requirements together with the power, mass and cost constraints mandate the use of commercial-off-the-shelf (COTS) components and standards in the X2000 avionics system architecture for deep-space missions. In this paper, we report our experiences and findings on the design of an IEEE 1394 compliant fault-tolerant COTS-based bus architecture. While the COTS standard IEEE 1394 adequately supports power management, high performance and scalability, its topological criteria impose restrictions on fault tolerance realization. To circumvent the difficulties, we derive a "stack-tree" topology that not only complies with the IEEE 1394 standard but also facilitates fault tolerance realization in a spaceborne system with limited dedicated resource redundancies. Moreover, by exploiting pertinent standard features of the 1394 interface which are not purposely designed for fault tolerance, we devise a comprehensive set of fault detection mechanisms to support the fault-tolerant bus architecture.

Precise tremor source locations and amplitude variations along the lower-crustal central San Andreas Fault

USGS Publications Warehouse

Shelly, David R.; Hardebeck, Jeanne L.

2010-01-01

We precisely locate 88 tremor families along the central San Andreas Fault using a 3D velocity model and numerous P and S wave arrival times estimated from seismogram stacks of up to 400 events per tremor family. Maximum tremor amplitudes vary along the fault by at least a factor of 7, with by far the strongest sources along a 25 km section of the fault southeast of Parkfield. We also identify many weaker tremor families, which have largely escaped prior detection. Together, these sources extend 150 km along the fault, beneath creeping, transitional, and locked sections of the upper crustal fault. Depths are mostly between 18 and 28 km, in the lower crust. Epicenters are concentrated within 3 km of the surface trace, implying a nearly vertical fault. A prominent gap in detectible activity is located directly beneath the region of maximum slip in the 2004 magnitude 6.0 Parkfield earthquake.

Clustering on Magnesium Surfaces – Formation and Diffusion Energies

DOE PAGES

Chu, Haijian; Huang, Hanchen; Wang, Jian

2017-07-12

The formation and diffusion energies of atomic clusters on Mg surfaces determine the surface roughness and formation of faulted structure, which in turn affect the mechanical deformation of Mg. This paper reports first principles density function theory (DFT) based quantum mechanics calculation results of atomic clustering on the low energy surfaces {0001} and {more » $$\\bar{1}$$011} . In parallel, molecular statics calculations serve to test the validity of two interatomic potentials and to extend the scope of the DFT studies. On a {0001} surface, a compact cluster consisting of few than three atoms energetically prefers a face-centered-cubic stacking, to serve as a nucleus of stacking fault. On a {$$\\bar{1}$$011} , clusters of any size always prefer hexagonal-close-packed stacking. Adatom diffusion on surface {$$\\bar{1}$$011} is high anisotropic while isotropic on surface (0001). Three-dimensional Ehrlich–Schwoebel barriers converge as the step height is three atomic layers or thicker. FInally, adatom diffusion along steps is via hopping mechanism, and that down steps is via exchange mechanism.« less

Clustering on Magnesium Surfaces – Formation and Diffusion Energies

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

Chu, Haijian; Huang, Hanchen; Wang, Jian

The formation and diffusion energies of atomic clusters on Mg surfaces determine the surface roughness and formation of faulted structure, which in turn affect the mechanical deformation of Mg. This paper reports first principles density function theory (DFT) based quantum mechanics calculation results of atomic clustering on the low energy surfaces {0001} and {more » $$\\bar{1}$$011} . In parallel, molecular statics calculations serve to test the validity of two interatomic potentials and to extend the scope of the DFT studies. On a {0001} surface, a compact cluster consisting of few than three atoms energetically prefers a face-centered-cubic stacking, to serve as a nucleus of stacking fault. On a {$$\\bar{1}$$011} , clusters of any size always prefer hexagonal-close-packed stacking. Adatom diffusion on surface {$$\\bar{1}$$011} is high anisotropic while isotropic on surface (0001). Three-dimensional Ehrlich–Schwoebel barriers converge as the step height is three atomic layers or thicker. FInally, adatom diffusion along steps is via hopping mechanism, and that down steps is via exchange mechanism.« less

Structure analysis of Si(111)-7 × 7 reconstructed surface by transmission electron diffraction

NASA Astrophysics Data System (ADS)

Takayanagi, Kunio; Tanishiro, Yasumasa; Takahashi, Shigeki; Takahashi, Masaetsu

1985-12-01

The atomic structure of the 7 × 7 reconstructed Si(111) surface has been analysed by ultra-high vacuum (UHV) transmission electron diffraction (TED). A possible projected structure of the surface is deduced from the intensity distribution in TED patterns of normal electron incidence and from Patterson and Fourier syntheses of the intensities. A new three-dimensional structure model, the DAS model, is proposed: The model consists of 12 adatoms arranged locally in the 2 × 2 structure, a stacking fault layer and a layer with a vacancy at the corner and 9 dimers on the sides of each of the two triangular subcells of the 7 × 7 unit cell. The silicon layers in one subcell are stacked with the normal sequence, CcAaB + adatoms, while those in the other subcell are stacked with a faulted sequence, CcAa/C + adatoms. The model has only 19 dangling bonds, the smallest number among models so far proposed. Previously proposed models are tested quantitatively by the TED intensity. Advantages and limits of the TED analysis are discussed.

Pretest analysis document for Test S-FS-6

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

Shaw, R.A.; Hall, D.G.

This report documents the pretest analyses completed for Semiscale Test S-FS-6. This test will simulate a transient initiated by a 100% break in a steam generator bottom feedwater line downstream of the check valve. The initial conditions represent normal operating conditions for a C-E System 80 nuclear power plant. Predictions of transients resulting from feedwater line breaks in these plants have indicated that significant primary system overpressurization may occur. The enclosed analyses include a RELAP5/MOD2/CY21 code calculation and preliminary results from a facility hot, integrated test which was conducted to near S-FS-6 specifications. The results of these analyses indicate thatmore » the test objectives for Test S-FS-6 can be achieved. The primary system overpressurization will pose no threat to personnel or plant integrity.« less

Flavonoids from sea buckthorn inhibit the lipopolysaccharide-induced inflammatory response in RAW264.7 macrophages through the MAPK and NF-κB pathways.

PubMed

Jiang, Fan; Guan, Haining; Liu, Danyi; Wu, Xi; Fan, Mingcheng; Han, Jianchun

2017-03-22

Sea buckthorn has long been used as a functional food to regulate cholesterol, relieve angina, and diminish inflammation. Flavonoids are one of the main active components in sea buckthorn. We investigated the effects of sea buckthorn flavonoid (SF) treatment on two pathways that mediate inflammation, the mitogen-activated protein kinase (MAPK) and nuclear factor-kappa B (NF-κB) pathways, to explore the anti-inflammatory activity of SFs in lipopolysaccharide (LPS)-stimulated RAW264.7 macrophages. The LPS-induced over-production of nitric oxide (NO) and prostaglandin E2 (PGE 2 ) was inhibited by SFs through a mechanism related to the modulatory effects of the inducible nitric oxide synthase (iNOS) and cyclooxygenase-2 (COX-2) genes. Additionally, SFs downregulated the production and mRNA expression of pro-inflammatory cytokines including tumor necrosis factor (TNF)-α, interleukin (IL)-6 and IL-1β. Moreover, SFs inhibited the phosphorylation of the p38 and stress-activated protein kinase/jun amino-terminal kinase (SAPK/JNK) MAPK pathways, and they reduced the nuclear translocation of NF-κB to prevent its activation by blocking the phosphorylation and degradation of inhibitor protein of NF-κB α (IκB-α). Based on these findings, SFs may exert their inhibitory effects on inflammation by regulating the release of inflammatory mediators through the MAPK and NF-κB pathways. SFs highlight the potential benefits of using functional foods with anti-inflammatory actions to combat inflammatory diseases.

On-line experimental validation of a model-based diagnostic algorithm dedicated to a solid oxide fuel cell system

NASA Astrophysics Data System (ADS)

Polverino, Pierpaolo; Esposito, Angelo; Pianese, Cesare; Ludwig, Bastian; Iwanschitz, Boris; Mai, Andreas

2016-02-01

In the current energetic scenario, Solid Oxide Fuel Cells (SOFCs) exhibit appealing features which make them suitable for environmental-friendly power production, especially for stationary applications. An example is represented by micro-combined heat and power (μ-CHP) generation units based on SOFC stacks, which are able to produce electric and thermal power with high efficiency and low pollutant and greenhouse gases emissions. However, the main limitations to their diffusion into the mass market consist in high maintenance and production costs and short lifetime. To improve these aspects, the current research activity focuses on the development of robust and generalizable diagnostic techniques, aimed at detecting and isolating faults within the entire system (i.e. SOFC stack and balance of plant). Coupled with appropriate recovery strategies, diagnosis can prevent undesired system shutdowns during faulty conditions, with consequent lifetime increase and maintenance costs reduction. This paper deals with the on-line experimental validation of a model-based diagnostic algorithm applied to a pre-commercial SOFC system. The proposed algorithm exploits a Fault Signature Matrix based on a Fault Tree Analysis and improved through fault simulations. The algorithm is characterized on the considered system and it is validated by means of experimental induction of faulty states in controlled conditions.

Reversible loss of Bernal stacking during the deformation of few-layer graphene in nanocomposites.

PubMed

Gong, Lei; Young, Robert J; Kinloch, Ian A; Haigh, Sarah J; Warner, Jamie H; Hinks, Jonathan A; Xu, Ziwei; Li, Li; Ding, Feng; Riaz, Ibtsam; Jalil, Rashid; Novoselov, Kostya S

2013-08-27

The deformation of nanocomposites containing graphene flakes with different numbers of layers has been investigated with the use of Raman spectroscopy. It has been found that there is a shift of the 2D band to lower wavenumber and that the rate of band shift per unit strain tends to decrease as the number of graphene layers increases. It has been demonstrated that band broadening takes place during tensile deformation for mono- and bilayer graphene but that band narrowing occurs when the number of graphene layers is more than two. It is also found that the characteristic asymmetric shape of the 2D Raman band for the graphene with three or more layers changes to a symmetrical shape above about 0.4% strain and that it reverts to an asymmetric shape on unloading. This change in Raman band shape and width has been interpreted as being due to a reversible loss of Bernal stacking in the few-layer graphene during deformation. It has been shown that the elastic strain energy released from the unloading of the inner graphene layers in the few-layer material (~0.2 meV/atom) is similar to the accepted value of the stacking fault energies of graphite and few layer graphene. It is further shown that this loss of Bernal stacking can be accommodated by the formation of arrays of partial dislocations and stacking faults on the basal plane. The effect of the reversible loss of Bernal stacking upon the electronic structure of few-layer graphene and the possibility of using it to modify the electronic structure of few-layer graphene are discussed.

Reversible Loss of Bernal Stacking during the Deformation of Few-Layer Graphene in Nanocomposites

PubMed Central

2013-01-01

The deformation of nanocomposites containing graphene flakes with different numbers of layers has been investigated with the use of Raman spectroscopy. It has been found that there is a shift of the 2D band to lower wavenumber and that the rate of band shift per unit strain tends to decrease as the number of graphene layers increases. It has been demonstrated that band broadening takes place during tensile deformation for mono- and bilayer graphene but that band narrowing occurs when the number of graphene layers is more than two. It is also found that the characteristic asymmetric shape of the 2D Raman band for the graphene with three or more layers changes to a symmetrical shape above about 0.4% strain and that it reverts to an asymmetric shape on unloading. This change in Raman band shape and width has been interpreted as being due to a reversible loss of Bernal stacking in the few-layer graphene during deformation. It has been shown that the elastic strain energy released from the unloading of the inner graphene layers in the few-layer material (∼0.2 meV/atom) is similar to the accepted value of the stacking fault energies of graphite and few layer graphene. It is further shown that this loss of Bernal stacking can be accommodated by the formation of arrays of partial dislocations and stacking faults on the basal plane. The effect of the reversible loss of Bernal stacking upon the electronic structure of few-layer graphene and the possibility of using it to modify the electronic structure of few-layer graphene are discussed. PMID:23899378

Efficient computation of the joint sample frequency spectra for multiple populations.

PubMed

Kamm, John A; Terhorst, Jonathan; Song, Yun S

2017-01-01

A wide range of studies in population genetics have employed the sample frequency spectrum (SFS), a summary statistic which describes the distribution of mutant alleles at a polymorphic site in a sample of DNA sequences and provides a highly efficient dimensional reduction of large-scale population genomic variation data. Recently, there has been much interest in analyzing the joint SFS data from multiple populations to infer parameters of complex demographic histories, including variable population sizes, population split times, migration rates, admixture proportions, and so on. SFS-based inference methods require accurate computation of the expected SFS under a given demographic model. Although much methodological progress has been made, existing methods suffer from numerical instability and high computational complexity when multiple populations are involved and the sample size is large. In this paper, we present new analytic formulas and algorithms that enable accurate, efficient computation of the expected joint SFS for thousands of individuals sampled from hundreds of populations related by a complex demographic model with arbitrary population size histories (including piecewise-exponential growth). Our results are implemented in a new software package called momi (MOran Models for Inference). Through an empirical study we demonstrate our improvements to numerical stability and computational complexity.

Efficient computation of the joint sample frequency spectra for multiple populations

PubMed Central

Kamm, John A.; Terhorst, Jonathan; Song, Yun S.

2016-01-01

A wide range of studies in population genetics have employed the sample frequency spectrum (SFS), a summary statistic which describes the distribution of mutant alleles at a polymorphic site in a sample of DNA sequences and provides a highly efficient dimensional reduction of large-scale population genomic variation data. Recently, there has been much interest in analyzing the joint SFS data from multiple populations to infer parameters of complex demographic histories, including variable population sizes, population split times, migration rates, admixture proportions, and so on. SFS-based inference methods require accurate computation of the expected SFS under a given demographic model. Although much methodological progress has been made, existing methods suffer from numerical instability and high computational complexity when multiple populations are involved and the sample size is large. In this paper, we present new analytic formulas and algorithms that enable accurate, efficient computation of the expected joint SFS for thousands of individuals sampled from hundreds of populations related by a complex demographic model with arbitrary population size histories (including piecewise-exponential growth). Our results are implemented in a new software package called momi (MOran Models for Inference). Through an empirical study we demonstrate our improvements to numerical stability and computational complexity. PMID:28239248

Advancements in understanding the aeromagnetic expressions of basin-margin faults—An example from San Luis Basin, Colorado

USGS Publications Warehouse

Grauch, V. J.; Bedrosian, Paul A.; Drenth, Benjamin J.

2013-01-01

Herein, we summarize and expand on an investigation of the sources of aeromagnetic anomalies related to faults along the eastern margin of the San Luis Basin, northern Rio Grande Rift, Colorado (Grauch et al., 2010). Similar to the faults examined in the central Rio Grande Rift, magnetic sources can be completely explained by tectonic juxtaposition and produce multiple, vertically stacked magnetic contrasts at individual faults. However, the geologic sources are different. They arise from both the sedimentary cover and the underlying bedrock rather than from stratified sediments. In addition, geologic evidence for secondary growth or destruction of magnetic minerals at the fault zone is lacking.

Cross-cultural adaptation, reliability, internal consistency and validation of the Spinal Function Sort (SFS) for French- and German-speaking patients with back complaints.

PubMed

Borloz, S; Trippolini, M A; Ballabeni, P; Luthi, F; Deriaz, O

2012-09-01

Functional subjective evaluation through questionnaire is fundamental, but not often realized in patients with back complaints, lacking validated tools. The Spinal Function Sort (SFS) was only validated in English. We aimed to translate, adapt and validate the French (SFS-F) and German (SFS-G) versions of the SFS. Three hundred and forty-four patients, experiencing various back complaints, were recruited in a French (n = 87) and a German-speaking (n = 257) center. Construct validity was estimated via correlations with SF-36 physical and mental scales, pain intensity and hospital anxiety and depression scales (HADS). Scale homogeneities were assessed by Cronbach's α. Test-retest reliability was assessed on 65 additional patients using intraclass correlation (IC). For the French and German translations, respectively, α were 0.98 and 0.98; IC 0.98 (95% CI: [0.97; 1.00]) and 0.94 (0.90; 0.98). Correlations with physical functioning were 0.63 (0.48; 0.74) and 0.67 (0.59; 0.73); with physical summary 0.60 (0.44; 0.72) and 0.52 (0.43; 0.61); with pain -0.33 (-0.51; -0.13) and -0.51 (-0.60; -0.42); with mental health -0.08 (-0.29; 0.14) and 0.25 (0.13; 0.36); with mental summary 0.01 (-0.21; 0.23) and 0.28 (0.16; 0.39); with depression -0.26 (-0.45; -0.05) and -0.42 (-0.52; -0.32); with anxiety -0.17 (-0.37; -0.04) and -0.45 (-0.54; -0.35). Reliability was excellent for both languages. Convergent validity was good with SF-36 physical scales, moderate with VAS pain. Divergent validity was low with SF-36 mental scales in both translated versions and with HADS for the SFS-F (moderate in SFS-G). Both versions seem to be valid and reliable for evaluating perceived functional capacity in patients with back complaints.

Dependences of contraction/expansion of stacking faults on temperature and current density in 4H-SiC p–i–n diodes

NASA Astrophysics Data System (ADS)

Okada, Aoi; Nishio, Johji; Iijima, Ryosuke; Ota, Chiharu; Goryu, Akihiro; Miyazato, Masaki; Ryo, Mina; Shinohe, Takashi; Miyajima, Masaaki; Kato, Tomohisa; Yonezawa, Yoshiyuki; Okumura, Hajime

2018-06-01

To investigate the mechanism of contraction/expansion behavior of Shockley stacking faults (SSFs) in 4H-SiC p–i–n diodes, the dependences of the SSF behavior on temperature and injection current density were investigated by electroluminescence image observation. We investigated the dependences of both triangle- and bar-shaped SSFs on the injection current density at four temperature levels. All SSFs in this study show similar temperature and injection current density dependences. We found that the expansion of SSFs at a high current density was converted to contraction at a certain value as the current decreased and that the value is temperature-dependent. It has been confirmed that SSF behavior, which was considered complex or peculiar, might be explained mainly by the energy change caused by SSFs.

First-principles study of the atomic and electronic properties of (1 0 0) stacking faults in BaSnO3 crystal

NASA Astrophysics Data System (ADS)

Xue, Yuanbin; Wang, Wenyuan; Guo, Yao

2018-02-01

We investigated the atomic and electronic properties of (1 0 0) stacking fault (SF) in undoped and La-doped BaSnO3 by first-principles calculations. It was found that 1/2[1 1 1] (1 0 0) SF is energetically favorable when Ba atoms occupy the interface while 1/2 (1 0 0) [1 0 1] SF becomes the most stable when the SF interface is occupied by Sn atoms. SF influences the distribution of La dopant and the electric properties of the system. In the presence of SF, electronic states near the Fermi level decrease and the bandgap expands by about 0.6 eV. Our results suggest that SF is one of the possible origins for the performance degradation.

Basic criteria for formation of growth twins in high stacking fault energy metals

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

Yu, K. Y.; Zhang, X.; Department of Mechanical Engineering, Texas A and M University, College Station, Texas 77843

Nanotwinned metals received significant interest lately as twin boundaries may enable simultaneous enhancement of strength, ductility, thermal stability, and radiation tolerance. However, nanotwins have been the privilege of metals with low-to-intermediate stacking fault energy (SFE). Recent scattered studies show that nanotwins could be introduced into high SFE metals, such as Al. In this paper, we examine several sputter-deposited, (111) textured Ag/Al, Cu/Ni, and Cu/Fe multilayers, wherein growth twins were observed in Al, Ni, and face-centered cubic (fcc) Fe. The comparisons lead to two important design criteria that dictate the introduction of growth twins in high SFE metals. The validity ofmore » these criteria was then examined in Ag/Ni multilayers. Furthermore, another twin formation mechanism in high SFE metals was discovered in Ag/Ni system.« less

Microstructural defects in He-irradiated polycrystalline α-SiC at 1000 °C

NASA Astrophysics Data System (ADS)

Han, Wentuo; Li, Bingsheng

2018-06-01

In order to investigate the effect of the high-temperature irradiation on microstructural evolutions of the polycrystalline SiC, an ion irradiation at 1000 °C with the 500 keV He2+ was imposed to the α-SiC. The platelets, He bubbles, dislocation loops, and particularly, their interaction with the stacking fault and grain boundaries were focused on and characterized by the cross-sectional transmission electron microscopy (XTEM). The platelets expectably exhibit a dominant plane of (0001), while planes of (01-10) and (10-16) are also found. Inside the platelet, the over-pressurized bubbles exist and remarkably cause a strong-strain zone surrounding the platelet. The disparate roles between the grain boundaries and stacking faults in interacting with the bubbles and loops are found. The results are compared with the previous weighty findings and discussed.

I2 basal stacking fault as a degradation mechanism in reverse gate-biased AlGaN/GaN HEMTs

NASA Astrophysics Data System (ADS)

Lang, A. C.; Hart, J. L.; Wen, J. G.; Miller, D. J.; Meyer, D. J.; Taheri, M. L.

2016-09-01

Here, we present the observation of a bias-induced, degradation-enhancing defect process in plasma-assisted molecular beam epitaxy grown reverse gate-biased AlGaN/GaN high electron mobility transistors (HEMTs), which is compatible with the current theoretical framework of HEMT degradation. Specifically, we utilize both conventional transmission electron microscopy and aberration-corrected transmission electron microscopy to analyze microstructural changes in not only high strained regions in degraded AlGaN/GaN HEMTs but also the extended gate-drain access region. We find a complex defect structure containing an I2 basal stacking fault and offer a potential mechanism for device degradation based on this defect structure. This work supports the reality of multiple failure mechanisms during device operation and identifies a defect potentially involved with device degradation.

Novel Cross-Slip Mechanism of Pyramidal Screw Dislocations in Magnesium.

PubMed

Itakura, Mitsuhiro; Kaburaki, Hideo; Yamaguchi, Masatake; Tsuru, Tomohito

2016-06-03

Compared to cubic metals, whose primary slip mode includes twelve equivalent systems, the lower crystalline symmetry of hexagonal close-packed metals results in a reduced number of equivalent primary slips and anisotropy in plasticity, leading to brittleness at the ambient temperature. At higher temperatures, the ductility of hexagonal close-packed metals improves owing to the activation of secondary ⟨c+a⟩ pyramidal slip systems. Thus, understanding the fundamental properties of corresponding dislocations is essential for the improvement of ductility at the ambient temperature. Here, we present the results of large-scale ab initio calculations for ⟨c+a⟩ pyramidal screw dislocations in magnesium and show that their slip behavior is a stark counterexample to the conventional wisdom that a slip plane is determined by the stacking fault plane of dislocations. A stacking fault between dissociated partial dislocations can assume a nonplanar shape with a negligible energy cost and can migrate normal to its plane by a local shuffling of atoms. Partial dislocations dissociated on a {21[over ¯]1[over ¯]2} plane "slither" in the {011[over ¯]1} plane, dragging the stacking fault with them in response to an applied shear stress. This finding resolves the apparent discrepancy that both {21[over ¯]1[over ¯]2} and {011[over ¯]1} slip traces are observed in experiments while ab initio calculations indicate that dislocations preferably dissociate in the {21[over ¯]1[over ¯]2} planes.

Scaled SFS method for Lambertian surface 3D measurement under point source lighting.

PubMed

Ma, Long; Lyu, Yi; Pei, Xin; Hu, Yan Min; Sun, Feng Ming

2018-05-28

A Lambertian surface is a kind of very important assumption in shape from shading (SFS), which is widely used in many measurement cases. In this paper, a novel scaled SFS method is developed to measure the shape of a Lambertian surface with dimensions. In which, a more accurate light source model is investigated under the illumination of a simple point light source, the relationship between surface depth map and the recorded image grayscale is established by introducing the camera matrix into the model. Together with the constraints of brightness, smoothness and integrability, the surface shape with dimensions can be obtained by analyzing only one image using the scaled SFS method. The algorithm simulations show a perfect matching between the simulated structures and the results, the rebuilding root mean square error (RMSE) is below 0.6mm. Further experiment is performed by measuring a PVC tube internal surface, the overall measurement error lies below 2%.

Interlayer interactions in graphites.

PubMed

Chen, Xiaobin; Tian, Fuyang; Persson, Clas; Duan, Wenhui; Chen, Nan-xian

2013-11-06

Based on ab initio calculations of both the ABC- and AB-stacked graphites, interlayer potentials (i.e., graphene-graphene interaction) are obtained as a function of the interlayer spacing using a modified Möbius inversion method, and are used to calculate basic physical properties of graphite. Excellent consistency is observed between the calculated and experimental phonon dispersions of AB-stacked graphite, showing the validity of the interlayer potentials. More importantly, layer-related properties for nonideal structures (e.g., the exfoliation energy, cleave energy, stacking fault energy, surface energy, etc.) can be easily predicted from the interlayer potentials, which promise to be extremely efficient and helpful in studying van der Waals structures.

Neural mechanisms of coarse-to-fine discrimination in the visual cortex.

PubMed

Purushothaman, Gopathy; Chen, Xin; Yampolsky, Dmitry; Casagrande, Vivien A

2014-12-01

Vision is a dynamic process that refines the spatial scale of analysis over time, as evidenced by a progressive improvement in the ability to detect and discriminate finer details. To understand coarse-to-fine discrimination, we studied the dynamics of spatial frequency (SF) response using reverse correlation in the primary visual cortex (V1) of the primate. In a majority of V1 cells studied, preferred SF either increased monotonically with time (group 1) or changed nonmonotonically, with an initial increase followed by a decrease (group 2). Monotonic shift in preferred SF occurred with or without an early suppression at low SFs. Late suppression at high SFs always accompanied nonmonotonic SF dynamics. Bayesian analysis showed that SF discrimination performance and best discriminable SF frequencies changed with time in different ways in the two groups of neurons. In group 1 neurons, SF discrimination performance peaked on both left and right flanks of the SF tuning curve at about the same time. In group 2 neurons, peak discrimination occurred on the right flank (high SFs) later than on the left flank (low SFs). Group 2 neurons were also better discriminators of high SFs. We examined the relationship between the time at which SF discrimination performance peaked on either flank of the SF tuning curve and the corresponding best discriminable SFs in both neuronal groups. This analysis showed that the population best discriminable SF increased with time in V1. These results suggest neural mechanisms for coarse-to-fine discrimination behavior and that this process originates in V1 or earlier. Copyright © 2014 the American Physiological Society.

Focal mechanisms and inter-event times of low-frequency earthquakes reveal quasi-continuous deformation and triggered slow slip on the deep Alpine Fault

NASA Astrophysics Data System (ADS)

Baratin, Laura-May; Chamberlain, Calum J.; Townend, John; Savage, Martha K.

2018-02-01

Characterising the seismicity associated with slow deformation in the vicinity of the Alpine Fault may provide constraints on the stresses acting on a major transpressive margin prior to an anticipated great (≥M8) earthquake. Here, we use recently detected tremor and low-frequency earthquakes (LFEs) to examine how slow tectonic deformation is loading the Alpine Fault late in its typical ∼300-yr seismic cycle. We analyse a continuous seismic dataset recorded between 2009 and 2016 using a network of 10-13 short-period seismometers, the Southern Alps Microearthquake Borehole Array. Fourteen primary LFE templates are used in an iterative matched-filter and stacking routine, allowing the detection of similar signals corresponding to LFE families sharing common locations. This yields an 8-yr catalogue containing 10,000 LFEs that are combined for each of the 14 LFE families using phase-weighted stacking to produce signals with the highest possible signal-to-noise ratios. We show that LFEs occur almost continuously during the 8-yr study period and highlight two types of LFE distributions: (1) discrete behaviour with an inter-event time exceeding 2 min; (2) burst-like behaviour with an inter-event time below 2 min. We interpret the discrete events as small-scale frequent deformation on the deep extent of the Alpine Fault and LFE bursts (corresponding in most cases to known episodes of tremor or large regional earthquakes) as brief periods of increased slip activity indicative of slow slip. We compute improved non-linear earthquake locations using a 3-D velocity model. LFEs occur below the seismogenic zone at depths of 17-42 km, on or near the hypothesised deep extent of the Alpine Fault. The first estimates of LFE focal mechanisms associated with continental faulting, in conjunction with recurrence intervals, are consistent with quasi-continuous shear faulting on the deep extent of the Alpine Fault.

[Validity and Reliability of Two Silhouette Scales to Asses the Body Image in Adolescent Students].

PubMed

Rueda-Jaimes, Germán Eduardo; López, Paul Anthony Camacho; Flórez, Silvia Milena; Martínez-Villalba, Andrés Mauricio Rangel

2012-03-01

To determine the validity and reliability of the 13-figure images scale (13-CS) and Standard Figural Stimuli (SFS) for the evaluation of body images in adolescent students from Bucaramanga. A probabilistic sample with 189 students was evaluated with the two scales. Two weeks later, the valuation together with the size, weight, percentage of body fat, SCOFF questionnaire and Rosenberg self-esteem valuation was repeated. The average age was 14.1 years; 62.7% were women. The correlation of the 13-CS and SFS with body fat index, weight and body fat percentage was 0.61, 0.74, 0.40 and 0.72, 0.55, 0.45 respectively. The correlation of dissatisfaction with body image according to the SCOFF and the Rosenberg scales was 0.43 and 0.26 with the 13-CS; 0.50 and -0.23 with the SFS. The reproducibility shows that perceived and ideal figure was 0.93 and 0.90 with the 13-CS; and 0.85 and 0.78 with the SFS. the concurrent validity of both scales was good. The reproducibility of the 13-CS was excellent while the SFS was good. Copyright © 2012 Asociación Colombiana de Psiquiatría. Publicado por Elsevier España. All rights reserved.

Dissecting Regional Variations in Stress Fiber Mechanics in Living Cells with Laser Nanosurgery

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

Tanner, Kandice; Boudreau, Aaron; Bissell, Mina J

The ability of a cell to distribute contractile stresses across the extracellular matrix in a spatially heterogeneous fashion underlies many cellular behaviors, including motility and tissue assembly. Here we investigate the biophysical basis of this phenomenon by using femtosecond laser nanosurgery to measure the viscoelastic recoil and cell-shape contributions of contractile stress fibers (SFs) located in specific compartments of living cells. Upon photodisruption and recoil, myosin light chain kinase-dependent SFs located along the cell periphery display much lower effective elasticities and higher plateau retraction distances than Rho-associated kinase-dependent SFs located in the cell center, with severing of peripheral fibers uniquelymore » triggering a dramatic contraction of the entire cell within minutes of fiber irradiation. Image correlation spectroscopy reveals that when one population of SFs is pharmacologically dissipated, actin density flows toward the other population. Furthermore, dissipation of peripheral fibers reduces the elasticity and increases the plateau retraction distance of central fibers, and severing central fibers under these conditions triggers cellular contraction. Together, these findings show that SFs regulated by different myosin activators exhibit different mechanical properties and cell shape contributions. They also suggest that some fibers can absorb components and assume mechanical roles of other fibers to stabilize cell shape.« less

Wide-angle Marine Seismic Refraction Imaging of Vertical Faults: Pre-Stack Turning Wave Migrations of Synthetic Data and Implications for Survey Design

NASA Astrophysics Data System (ADS)

Miller, N. C.; Lizarralde, D.; McGuire, J.; Hole, J. A.

2006-12-01

We consider methodologies, including survey design and processing algorithms, which are best suited to imaging vertical reflectors in oceanic crust using marine seismic techniques. The ability to image the reflectivity structure of transform faults as a function of depth, for example, may provide new insights into what controls seismicity along these plate boundaries. Turning-wave migration has been used with success to image vertical faults on land. With synthetic datasets we find that this approach has unique difficulties in the deep ocean. The fault-reflected crustal refraction phase (Pg-r) typically used in pre-stack migrations is difficult to isolate in marine seismic data. An "imagable" Pg-r is only observed in a time window between the first arrivals and arrivals from the sediments and the thick, slow water layer at offsets beyond ~25 km. Ocean- bottom seismometers (OBSs), as opposed to a long surface streamer, must be used to acquire data suitable for crustal-scale vertical imaging. The critical distance for Moho reflections (PmP) in oceanic crust is also ~25 km, thus Pg-r and PmP-r are observed with very little separation, and the fault-reflected mantle refraction (Pn-r) arrives prior to Pg-r as the observation window opens with increased OBS-to-fault distance. This situation presents difficulties for "first-arrival" based Kirchoff migration approaches and suggests that wave- equation approaches, which in theory can image all three phases simultaneously, may be more suitable for vertical imaging in oceanic crust. We will present a comparison of these approaches as applied to a synthetic dataset generated from realistic, stochastic velocity models. We will assess their suitability, the migration artifacts unique to the deep ocean, and the ideal instrument layout for such an experiment.

Dislocation creation and void nucleation in FCC ductile metals under tensile loading: a general microscopic picture.

PubMed

Pang, Wei-Wei; Zhang, Ping; Zhang, Guang-Cai; Xu, Ai-Guo; Zhao, Xian-Geng

2014-11-10

Numerous theoretical and experimental efforts have been paid to describe and understand the dislocation and void nucleation processes that are fundamental for dynamic fracture modeling of strained metals. To date an essential physical picture on the self-organized atomic collective motions during dislocation creation, as well as the essential mechanisms for the void nucleation obscured by the extreme diversity in structural configurations around the void nucleation core, is still severely lacking in literature. Here, we depict the origin of dislocation creation and void nucleation during uniaxial high strain rate tensile processes in face-centered-cubic (FCC) ductile metals. We find that the dislocations are created through three distinguished stages: (i) Flattened octahedral structures (FOSs) are randomly activated by thermal fluctuations; (ii) The double-layer defect clusters are formed by self-organized stacking of FOSs on the close-packed plane; (iii) The stacking faults are formed and the Shockley partial dislocations are created from the double-layer defect clusters. Whereas, the void nucleation is shown to follow a two-stage description. We demonstrate that our findings on the origin of dislocation creation and void nucleation are universal for a variety of FCC ductile metals with low stacking fault energies.

Interseismic secular deformation in Southern California from InSAR-derived maps over the time period between 1992 and 2006

NASA Astrophysics Data System (ADS)

Rivet, D. N.; Fialko, Y.

2007-12-01

We analyzed secular deformation in Southern California using an extensive catalog of InSAR data that spans 15 years between 1992 and 2006. We generated a map of the satellite line-of-sight displacements based on a stack of ~300 interferograms from 6 adjacent tracks of the ERS-1 and ERS-2 satellites covering Southern California. The main limitation to the accuracy of InSAR measurements of tectonic deformation is the atmospheric phase delay. We introduce a new method aimed to improve the signal-to-noise ratio in the InSAR- derived maps of secular deformation. The method involves identifying SAR acquisitions that are highly affected by atmospheric noise, and an optimal choice of interferometric pairs for stacking. We begin by generating a set of all possible interferometric pairs having baselines and time spans within prescribed limits. We then select interferograms with sufficiently high correlation. Subsequently, we identify noisy SAR acquisitions by means of calculating RMS of the phase signal. Finally, we generate a stack of interferograms by following a "connectivity tree" that minimizes contributions of noisy scenes. Using this method we obtained a continuous velocity field characterizing surface deformation in Southern California over the last 15 years. We identify interseismic deformation on a number of major faults, including those of the southern San Andreas system, and the Eastern California Shear Zone (ECSZ). We study the time dependency from 1992 to 2006 of those deformation patterns. Variations in the line-of- sight velocity across the Eastern California Shear Zone are non-monotonic, with the maximum along the strike of the Hector Mine fault of ~4 mm/yr, and total LOS velocity between the eastern and western boundaries of the shear zone of less than 2 mm/yr. We observe increases in the radar range to the east of ECSZ. This signal most likely results from subsidence east of the Death Valley-Mule Springs fault system, either due to hydrologic effects, or dip-slip tectonics. No resolvable interseismic deformation is detected across the Garlock fault. The Blackwater fault is associated with line-of-sight velocity of 2 mm/yr. By combining data from the ascending and descending satellite orbits, we infer that most of that strain is associated with the differential vertical motion across the fault (east side up), so that the accelerated strike-slip motion on the deep extension of the Blackwater fault is not required.

Molecular dynamics simulation of the plastic behavior anisotropy of shock-compressed monocrystal nickel

NASA Astrophysics Data System (ADS)

Chen, Ya-Zhou; Zhou, Liu-Cheng; He, Wei-Feng; Sun, Yu; Li, Ying-Hong; Jiao, Yang; Luo, Si-Hai

2017-01-01

Molecular dynamics simulations were used to study the plastic behavior of monocrystalline nickel under shock compression along the [100] and [110] orientations. The shock Hugoniot relation, local stress curve, and process of microstructure development were determined. Results showed the apparent anisotropic behavior of monocrystalline nickel under shock compression. The separation of elastic and plastic waves was also obvious. Plastic deformation was more severely altered along the [110] direction than the [100] direction. The main microstructure phase transformed from face-centered cubic to body-centered cubic and generated a large-scale and low-density stacking fault along the family of { 111 } crystal planes under shock compression along the [100] direction. By contrast, the main mechanism of plastic deformation in the [110] direction was the nucleation of the hexagonal, close-packed phase, which generated a high density of stacking faults along the [110] and [1̅10] directions.

Studies of molecular-beam epitaxy growth of GaAs on porous Si substrates

NASA Technical Reports Server (NTRS)

Mii, Y. J.; Kao, Y. C.; Wu, B. J.; Wang, K. L.; Lin, T. L.; Liu, J. K.

1988-01-01

GaAs has been grown on porous Si directly and on Si buffer layer-porous Si substrates by molecular-beam epitaxy. In the case of GaAs growth on porous Si, transmission electron microscopy (TEM) reveals that the dominant defects in GaAs layers grown on porous Si are microtwins and stacking faults, which originate from the GaAs/porous Si interface. GaAs is found to penetrate into the porous Si layers. By using a thin Si buffer layer (50 nm), GaAs penetration diminishes and the density of microtwins and stacking faults is largely reduced and localized at the GaAs/Si buffer interface. However, there is a high density of threading dislocations remaining. Both Si (100) aligned and four degree tilted substrates have been examined in this study. TEM results show no observable effect of the tilted substrates on the quality of the GaAs epitaxial layer.

High-resolution transmission electron microscopy of hexagonal and rhombohedral molybdenum disulfide crystals.

PubMed

Isshiki, T; Nishio, K; Saijo, H; Shiojiri, M; Yabuuchi, Y; Takahashi, N

1993-07-01

Natural (molybdenite) and synthesized molybdenum disulfide crystals have been studied by high-resolution transmission electron microscopy. The image simulation demonstrates that the [0001] and [0110] HRTEM images of hexagonal and rhombohedral MoS2 crystals hardly disclose their stacking sequences, and that the [2110] images can distinguish the Mo and S columns along the incident electron beam and enable one to determine not only the crystal structure but also the fault structure. Observed [0001] images of cleaved molybdenite and synthesized MoS2 crystals, however, reveal the strain field around partial dislocations limiting an extended dislocation. A cross-sectional image of a single molecular (S-Mo-S) layer cleaved from molybdenite has been observed. Synthesized MoS2 flakes which were prepared by grinding have been found to be rhombohedral crystals containing many stacking faults caused by glides between S/S layers.

Charge optimized many-body potential for aluminum.

PubMed

Choudhary, Kamal; Liang, Tao; Chernatynskiy, Aleksandr; Lu, Zizhe; Goyal, Anuj; Phillpot, Simon R; Sinnott, Susan B

2015-01-14

An interatomic potential for Al is developed within the third generation of the charge optimized many-body (COMB3) formalism. The database used for the parameterization of the potential consists of experimental data and the results of first-principles and quantum chemical calculations. The potential exhibits reasonable agreement with cohesive energy, lattice parameters, elastic constants, bulk and shear modulus, surface energies, stacking fault energies, point defect formation energies, and the phase order of metallic Al from experiments and density functional theory. In addition, the predicted phonon dispersion is in good agreement with the experimental data and first-principles calculations. Importantly for the prediction of the mechanical behavior, the unstable stacking fault energetics along the [Formula: see text] direction on the (1 1 1) plane are similar to those obtained from first-principles calculations. The polycrsytal when strained shows responses that are physical and the overall behavior is consistent with experimental observations.

First principles pseudopotential calculation of electron energy loss near edge structures of lattice imperfections.

PubMed

Mizoguchi, Teruyasu; Matsunaga, Katsuyuki; Tochigi, Eita; Ikuhara, Yuichi

2012-01-01

Theoretical calculations of electron energy loss near edge structures (ELNES) of lattice imperfections, particularly a Ni(111)/ZrO₂(111) heterointerface and an Al₂O₃ stacking fault on the {1100} plane, are performed using a first principles pseudopotential method. The present calculation can qualitatively reproduce spectral features as well as chemical shifts in experiment by employing a special pseudopotential designed for the excited atom with a core-hole. From the calculation, spectral changes observed in O-K ELNES from a Ni/ZrO₂ interface can be attributable to interfacial oxygen-Ni interactions. In the O-K ELNES of Al₂O₃ stacking faults, theoretical calculation suggests that the spectral feature reflects coordination environment and chemical bonding. Powerful combinations of ELNES with a pseudopotential method used to investigate the atomic and electronic structures of lattice imperfections are demonstrated. Copyright © 2011 Elsevier Ltd. All rights reserved.

Atomistic Origin of Deformation Twinning in Biomineral Aragonite.

PubMed

Liu, Jialin; Huang, Zaiwang; Pan, Zhiliang; Wei, Qiuming; Li, Xiaodong; Qi, Yue

2017-03-10

Deformation twinning rarely occurs in mineral materials which typically show brittle fracture. Surprisingly, it has recently been observed in the biomineral aragonite phase in nacre under high rate impact loading. In this Letter, the twinning tendency and the competition between fracture and deformation twinning were revealed by first principles calculations. The ratio of the unstable stacking fault energy and the stacking fault energy in orthorhombic aragonite is hitherto the highest in a broad range of metallic and oxide materials. The underlining physics for this high ratio is the multineighbor shared ionic bonds and the unique relaxation process during sliding in the aragonite structure. Overall, the unique deformation twining along with other highly coordinated deformation mechanisms synergistically work in the hierarchical structure of nacre, leading to the remarkable strengthening and toughening of nacre upon dynamic loading, and thus protecting the mother-of-pearl from predatory attacks.

Synthesis and microstructure of electrodeposited and sputtered nanotwinned face-centered-cubic metals

DOE PAGES

Bufford, Daniel C.; Wang, Morris; Liu, Yue; ...

2016-04-01

The remarkable properties of nanotwinned (NT) face-centered-cubic (fcc) metals arise directly from twin boundaries, the structures of which can be initially determined by growth twinning during the deposition process. When we understand the synthesis process and its relation to the resulting microstructure, and ultimately to material properties, we realize how key it is to understanding and utilizing these materials. Furthermore, our article presents recent studies on electrodeposition and sputtering methods that produce a high density of nanoscale growth twins in fcc metals. Nanoscale growth twins tend to form spontaneously in monolithic and alloyed fcc metals with lower stacking-fault energies, whilemore » engineered approaches are necessary for fcc metals with higher stacking-fault energies. Finally, growth defects and other microstructural features that influence nanotwin behavior and stability are introduced here, and future challenges in fabricating NT materials are highlighted.« less

Stacking fault energies of face-centered cubic concentrated solid solution alloys

DOE PAGES

Zhao, Shijun; Stocks, G. Malcolm; Zhang, Yanwen

2017-06-22

We report the stacking fault energy (SFE) for a series of face-centered cubic (fcc) equiatomic concentrated solid solution alloys (CSAs) derived as subsystems from the NiCoFeCrMn and NiCoFeCrPd high entropy alloys based on ab initio calculations. At low temperatures, these CSAs display very low even negative SFEs, indicating that hexagonal close-pack ( hcp) is more energy favorable than fcc structure. The temperature dependence of SFE for some CSAs is studied. With increasing temperature, a hcp-to- fcc transition is revealed for those CSAs with negative SFEs, which can be attributed to the role of intrinsic vibrational entropy. The analysis of themore » vibrational modes suggests that the vibrational entropy arises from the high frequency states in the hcp structure that originate from local vibrational mode. Furthermore, our results underscore the importance of vibrational entropy in determining the temperature dependence of SFE for CSAs.« less

Replace with abstract title

NASA Astrophysics Data System (ADS)

Coho, Aleksander; Kioussis, Nicholas

2003-03-01

We use the semidiscrete variational generelized Peierls-Nabarro model to study the effect of Cu alloying on the dislocation properties of Al. First-principles density functional theory (DFT) is used to calculate the generalized-stacking-fault (GSF) energy surface when a <111> plane, on which one in four Al atoms has been replaced with a Cu atom, slips over a pure Al <111> plane. Various dislocation core properties (core width, energy, Peierls stress, dissociation tendency) are investigated and compared with the pure Al case. Cu alloying lowers the intrinsic stacking fault (ISF) energy, which makes dislocations more likely to dissociate into partials. We also try to understand the lowering of ISF energy in terms of Al-Cu and Al-Al bond formation and braking during shearing along the <112> direction. From the above we draw conclusions about the effects of Cu alloying on the mechanical properties of Al.

Stacking fault energies of face-centered cubic concentrated solid solution alloys

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

Zhao, Shijun; Stocks, G. Malcolm; Zhang, Yanwen

We report the stacking fault energy (SFE) for a series of face-centered cubic (fcc) equiatomic concentrated solid solution alloys (CSAs) derived as subsystems from the NiCoFeCrMn and NiCoFeCrPd high entropy alloys based on ab initio calculations. At low temperatures, these CSAs display very low even negative SFEs, indicating that hexagonal close-pack ( hcp) is more energy favorable than fcc structure. The temperature dependence of SFE for some CSAs is studied. With increasing temperature, a hcp-to- fcc transition is revealed for those CSAs with negative SFEs, which can be attributed to the role of intrinsic vibrational entropy. The analysis of themore » vibrational modes suggests that the vibrational entropy arises from the high frequency states in the hcp structure that originate from local vibrational mode. Furthermore, our results underscore the importance of vibrational entropy in determining the temperature dependence of SFE for CSAs.« less

Synthesis and microstructure of electrodeposited and sputtered nanotwinned face-centered-cubic metals

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

Bufford, Daniel C.; Wang, Morris; Liu, Yue

The remarkable properties of nanotwinned (NT) face-centered-cubic (fcc) metals arise directly from twin boundaries, the structures of which can be initially determined by growth twinning during the deposition process. When we understand the synthesis process and its relation to the resulting microstructure, and ultimately to material properties, we realize how key it is to understanding and utilizing these materials. Furthermore, our article presents recent studies on electrodeposition and sputtering methods that produce a high density of nanoscale growth twins in fcc metals. Nanoscale growth twins tend to form spontaneously in monolithic and alloyed fcc metals with lower stacking-fault energies, whilemore » engineered approaches are necessary for fcc metals with higher stacking-fault energies. Finally, growth defects and other microstructural features that influence nanotwin behavior and stability are introduced here, and future challenges in fabricating NT materials are highlighted.« less

Oxalate absorption and endogenous oxalate synthesis from ascorbate in calcium oxalate stone formers and non-stone formers.

PubMed

Chai, Weiwen; Liebman, Michael; Kynast-Gales, Susan; Massey, Linda

2004-12-01

Increased rates of either oxalate absorption or endogenous oxalate synthesis can contribute to hyperoxaluria, a primary risk factor for the formation of calcium oxalate-containing kidney stones. This study involves a comparative assessment of oxalate absorption and endogenous oxalate synthesis in subpopulations of stone formers (SFs) and non-stone formers (NSFs) and an assessment of the effect of ascorbate supplementation on oxalate absorption and endogenous oxalate synthesis. Twenty-nine individuals with a history of calcium oxalate kidney stones (19 men, 10 women) and 19 age-matched NSFs (8 men, 11 women) participated in two 6-day controlled feeding experimental periods: ascorbate-supplement (2 g/d) and no-supplement treatments. An oxalate load consisting of 118 mg of unlabeled oxalate and 18 mg of 13C2 -oxalic acid was administered the morning of day 6 of each experimental period. Mean 13C2 -oxalic acid absorption averaged across the ascorbate and no-supplement treatments was significantly greater in SFs (9.9%) than NSFs (8.0%). SFs also had significantly greater 24-hour post-oxalate load urinary total oxalate and endogenous oxalate levels with both treatments. Twenty-four-hour urinary total oxalate level correlated strongly with both 13C2 -oxalic acid absorption (SFs, r = 0.76; P < 0.01; NSFs, r = 0.62; P < 0.01) and endogenous oxalate synthesis (SFs, r = 0.95; P < 0.01; NSFs, r = 0.92; P < 0.01). SFs are characterized by greater rates of both oxalate absorption and endogenous oxalate synthesis, and both these factors contribute to the hyperoxaluric state. The finding that ascorbate supplementation increased urinary total and endogenous oxalate levels suggested that this practice is a risk factor for individuals predisposed to kidney stones.

Influence of different etching modes on bond strength and fatigue strength to dentin using universal adhesive systems.

PubMed

Takamizawa, Toshiki; Barkmeier, Wayne W; Tsujimoto, Akimasa; Berry, Thomas P; Watanabe, Hedehiko; Erickson, Robert L; Latta, Mark A; Miyazaki, Masashi

2016-02-01

The purpose of this study was to determine the dentin bonding ability of three new universal adhesive systems under different etching modes using fatigue testing. Prime & Bond elect [PE] (DENTSPLY Caulk), Scotchbond Universal [SU] (3M ESPE), and All Bond Universal [AU] (Bisco) were used in this study. A conventional single-step self-etch adhesive, Clearfil Bond SE ONE [CS] (Kuraray Noritake Dental) was also included as a control. Shear bond strengths (SBS) and shear fatigue strength (SFS) to human dentin were obtained in the total-etch mode and self-etch modes. For each test condition, 15 specimens were prepared for the SBS and 30 specimens for SFS. SEM was used to examine representative de-bonded specimens, treated dentin surfaces and the resin/dentin interface for each test condition. Among the universal adhesives, PE in total-etch mode showed significantly higher SBS and SFS values than in self-etch mode. SU and AU did not show any significant difference in SBS and SFS between the total-etch mode and self-etch mode. However, the single-step self-etch adhesive CS showed significantly lower SBS and SFS values in the etch-and-rinse mode when compared to the self-etch mode. Examining the ratio of SFS/SBS, for PE and AU, the etch-and-rinse mode groups showed higher ratios than the self-etch mode groups. The influence of different etching modes on dentin bond quality of universal adhesives was dependent on the adhesive material. However, for the universal adhesives, using the total-etch mode did not have a negative impact on dentin bond quality. Copyright © 2015 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

Effects of hydrostatic pressure on cytoskeleton and BMP-2, TGF-beta, SOX-9 production in rat temporomandibular synovial fibroblasts.

PubMed

Wu, M-J; Gu, Z-Y; Sun, W

2008-01-01

Recent experimental evidence has suggested that pressure may play an important role in the pathogenesis of arthritic diseases such as temporomandibular disorders (TMDs), rheumatic diseases and osteoarthritis. This study examines the effects of hydrostatic pressure (HP) on cytoskeleton and protein production of bone morphogenetic protein-2 (BMP-2), transforming growth factor-beta (TGF-beta) and the SRY HMG box related gene 9 (SOX-9) in synovial fibroblasts (SFs) of rat temporomandibular joint (TMJ). SFs derived from rat TMJ were grown to confluence in Dulbecco's modified Eagle medium supplemented with 15% fetal calf serum. The monolayer of SFs was subjected to different HPs (0, 30, 60, and 90kPa) by an in-house designed pressure chamber for 12h. Changes of cell morphology were observed by fluorescent microscope. Production of TGF-beta, BMP-2 and SOX-9 was examined by immunocytochemical assay and western blot. Compared with the untreated control, the cellular actin configuration of SFs became elongated and more intense F-actin stress fiber staining was observed after HP loading. Exposure of SFs to HP for 12h resulted in significant up-regulation of BMP-2 by 46, 54, and 66% at 30, 60, and 90kPa, respectively, whilst TGF-beta increased by 11, 19, and 28% at 30, 60, and 90kPa, respectively. HP also induced the increase of SOX-9 by 72% at 30kPa and 83% at 60kPa, but only 54% at 90kPa. The obtained data suggest that HP induced the alteration of cytoskeleton and bone-morphogenetic-related proteins' production of SFs, which may influence the pathological condition of TMDs.

Validation of Patient-Reported Outcomes Measurement Information System Short Forms for Use in Childhood-Onset Systemic Lupus Erythematosus.

PubMed

Jones, Jordan T; Carle, Adam C; Wootton, Janet; Liberio, Brianna; Lee, Jiha; Schanberg, Laura E; Ying, Jun; Morgan DeWitt, Esi; Brunner, Hermine I

2017-01-01

To validate the pediatric Patient-Reported Outcomes Measurement Information System short forms (PROMIS-SFs) in childhood-onset systemic lupus erythematosus (SLE) in a clinical setting. At 3 study visits, childhood-onset SLE patients completed the PROMIS-SFs (anger, anxiety, depressive symptoms, fatigue, physical function-mobility, physical function-upper extremity, pain interference, and peer relationships) using the PROMIS assessment center, and health-related quality of life (HRQoL) legacy measures (Pediatric Quality of Life Inventory, Childhood Health Assessment Questionnaire, Simple Measure of Impact of Lupus Erythematosus in Youngsters [SMILEY], and visual analog scales [VAS] of pain and well-being). Physicians rated childhood-onset SLE activity on a VAS and completed the Systemic Lupus Erythematosus Disease Activity Index 2000. Using a global rating scale of change (GRC) between study visits, physicians rated change of childhood-onset SLE activity (GRC-MD1: better/same/worse) and change of patient overall health (GRC-MD2: better/same/worse). Questionnaire scores were compared in support of validity and responsiveness to change (external standards: GRC-MD1, GRC-MD2). In this population-based cohort (n = 100) with a mean age of 15.8 years (range 10-20 years), the PROMIS-SFs were completed in less than 5 minutes in a clinical setting. The PROMIS-SF scores correlated at least moderately (Pearson's r ≥ 0.5) with those of legacy HRQoL measures, except for the SMILEY. Measures of childhood-onset SLE activity did not correlate with the PROMIS-SFs. Responsiveness to change of the PROMIS-SFs was supported by path, mixed-model, and correlation analyses. To assess HRQoL in childhood-onset SLE, the PROMIS-SFs demonstrated feasibility, internal consistency, construct validity, and responsiveness to change in a clinical setting. © 2016, American College of Rheumatology.

Comparison of stapedotomy minus prosthesis, circumferential stapes mobilization, and small fenestra stapedotomy for stapes fixation.

PubMed

Acar, Gül Ozbilen; Kivekäs, Ilkka; Hanna, Bassem M; Huang, Lin; Gopen, Quinton; Poe, Dennis S

2014-04-01

To compare the outcomes of 3 surgical techniques for primary stapes fixation: stapedotomy minus prosthesis (STAMP), circumferential stapes mobilization (CSM), and small fenestra stapedotomy (SFS). Retrospective review of 277 primary cases operated for stapes fixation from 1997 to 2007. Tertiary academic center. Consecutive adult and pediatric cases operated for conductive hearing loss because of stapes fixation. STAMP was performed for otosclerosis limited to the anterior footplate, CSM was conducted for congenital stapes fixation, SFS was performed for more extensive otosclerosis or anatomic contraindications to STAMP/CSM. Pure-tone audiometry was performed preoperatively and postoperatively (3-6 wk) and the most recent long-term results (≥ 12 mo). Ninety-nine ears in 90 patients had audiologic follow-up data over 12 months. Sixty-seven ears (68%) underwent SFS, 16 (16%) STAMP, and 16 (16%) CSM. There was significant improvement in average air conduction (AC) thresholds and air-bone gap (ABG) for all techniques. Mean ABG for SFS closed from 29 to 7.1 dB (SD, 6.0), for STAMP from 29 to 3.8 dB (SD, 5.8 dB), and for CSM from 34 to 20 dB (SD, 8.2 dB). AC results were better in the STAMP than in the SFS group, especially in high frequencies. Bone conduction improvements were seen in all groups, highest in STAMP (4.3 dB) and CSM (3.8 dB) groups, but the differences between groups were not statistically significant. Satisfactory hearing results were achieved with all the techniques, and STAMP showed better hearing outcomes, especially in high frequencies. CSM is a good option for children and patients in whom it is desirable to avoid a footplate fenestration or prosthesis. CSM and STAMP had significantly higher rates of revision for refixation than SFS.

Concrete with steel furnace slag and fractionated reclaimed asphalt pavement.

DOT National Transportation Integrated Search

2014-09-01

Steel furnace slag (SFS) is an industrial by-product material that can contain free calcium oxide (CaO) and free magnesium oxide (MgO), both : of which can cause significant expansion when hydrated. SFS aggregates are therefore not commonly used in c...

Mutation Rate Variation is a Primary Determinant of the Distribution of Allele Frequencies in Humans

PubMed Central

Pritchard, Jonathan K.

2016-01-01

The site frequency spectrum (SFS) has long been used to study demographic history and natural selection. Here, we extend this summary by examining the SFS conditional on the alleles found at the same site in other species. We refer to this extension as the “phylogenetically-conditioned SFS” or cSFS. Using recent large-sample data from the Exome Aggregation Consortium (ExAC), combined with primate genome sequences, we find that human variants that occurred independently in closely related primate lineages are at higher frequencies in humans than variants with parallel substitutions in more distant primates. We show that this effect is largely due to sites with elevated mutation rates causing significant departures from the widely-used infinite sites mutation model. Our analysis also suggests substantial variation in mutation rates even among mutations involving the same nucleotide changes. In summary, we show that variable mutation rates are key determinants of the SFS in humans. PMID:27977673

High-power single-stage thulium-doped superfluorescent fiber source

NASA Astrophysics Data System (ADS)

Hu, Z. Y.; Yan, P.; Liu, Q.; Ji, E. C.; Xiao, Q. R.; Gong, M. L.

2015-01-01

In this paper, we report a high-power thulium (Tm)-doped superfluorescent fiber source (SFS) in the 2-μm spectral region. The SFS is based on double angle-cleaved facet operation and uses a simple single-stage geometry. The copropagating amplified spontaneous emission (ASE) yields a maximum output of 20.7 W at a center wavelength of 1,960.7 nm, with a full width at half maximum (FWHM) of ~45 nm. The counterpropagating ASE yields a maximum output of 25.2 W at a center wavelength of 1,948.2 nm, with a FWHM of ~50 nm. The maximum combined output of the SFS is as much as 45.9 W, which corresponds to a slope efficiency of 38.9 %. In addition, a model of the ~2 μm SFS in Tm-doped silica fibers pumped at ~790 nm is developed, and the influence of fiber length and end-facet reflectivity on the ASE output performance and the parasitic lasing threshold are studied numerically.

Stentless vs. stented bioprosthesis for aortic valve replacement: A case matched comparison of long-term follow-up and subgroup analysis of patients with native valve endocarditis.

PubMed

Schaefer, Andreas; Dickow, Jannis; Schoen, Gerhard; Westhofen, Sumi; Kloss, Lisa; Al-Saydali, Tarik; Reichenspurner, Hermann; Philipp, Sebastian A; Detter, Christian

2018-01-01

Current retrospective evidence suggests similar clinical and superior hemodynamic outcomes of the Sorin Freedom Solo stentless aortic valve (SFS) (LivaNova PLC, London, UK) compared to the Carpentier Edwards Perimount stented aortic valve (CEP) (Edwards Lifesciences Inc., Irvine, California, USA). To date, no reports exist describing case-matched long-term outcomes and analysis for treatment of native valve endocarditis (NVE). From 2004 through 2014, 77 consecutive patients (study group, 59.7% male, 68.9 ± 12.5 years, logEuroSCORE II 7.6 ± 12.3%) received surgical aortic valve replacement (SAVR) with the SFS. A control group of patients after SAVR with the CEP was retrieved from our database and matched to the study group regarding 15 parameters including preoperative endocarditis. Acute perioperative outcomes and follow-up data (mean follow-up time 48.7±29.8 months, 95% complete) were retrospectively analyzed. No differences in early mortality occurred during 30-day follow up (3/77; 3.9% vs. 4/77; 5.2%; p = 0.699). Echocardiographic findings revealed lower postprocedural transvalvular pressure gradients (max. 17.0 ± 8.2 vs. 24.5 ± 9.2 mmHg, p< 0.001/ mean pressure of 8.4 ± 4.1 vs. 13.1 ± 5.9 mmHg, p< 0.001) in the SFS group. Structural valve degeneration (SVD) (5.2% vs. 0%; p = 0.04) and valve explantation due to SVD or prosthetic valve endocarditis (PVE) (9.1% vs. 1.3%; p = 0.04) was more frequent in the SFS group. All-cause mortality during follow-up was 20.8% vs. 14.3% (p = 0.397). When patients were divided into subgroups of NVE and respective utilized bioprosthesis, the SFS presented impaired outcomes regarding mortality in NVE cases (p = 0.031). The hemodynamic superiority of the SFS was confirmed in this comparison. However, clinical outcomes in terms of SVD and PVE rates, as well as survival after NVE, were inferior in this study. Therefore, we are reluctant to recommend utilization of the SFS for treatment of NVE.

Cordilleran front range structural features in northwest Montana interpreted from vintage seismic reflection data

NASA Astrophysics Data System (ADS)

Porter, Mason C.; Rutherford, Bradley S.; Speece, Marvin A.; Mosolf, Jesse G.

2016-04-01

Industry seismic reflection data spanning the Rocky Mountain Cordillera front ranges of northwest Montana were reprocessed and interpreted in this study. Five seismic profiles represent 160 km of deep reflection data collected in 1983 that span the eastern Purcell anticlinorium, Rocky Mountain Trench (RMT), Rocky Mountain Basal Décollement (RMBD), and Lewis thrust. The data were reprocessed using modern techniques including refraction statics, pre-stack time migration (PSTM), and pre- and post-stack depth migration. Results indicate the RMBD is 8-13 km below the Earth's surface and dip 3-10° west. Evidence for the autochthonous Mesoproterozoic Belt and basal Cambrian rocks beneath the RMBD is present in all of the profiles and appears to extend east of the RMT. The Lewis thrust was identified in the seismic profiles and appears to sole into the RMBD east of the RMT. The RMT fault system has a dip displacement of 3-4 km and forms a half graben filled with 1 km of unconsolidated Tertiary sedimentary deposits. The RMT and adjacent Flathead fault systems are interpreted to be structurally linked and may represent a synthetic, en echelon fault system.

Magnetic fabric of fault breccia: Revealing the direction of the Cretaceous nappe-stacking in the Inner Western Carpathians by AMS analyses

NASA Astrophysics Data System (ADS)

Pomella, Hannah; Kövér, Szilvia; Fodor, László

2017-04-01

The anisotropy of magnetic susceptibility (AMS) has been recognized as a highly sensitive indicator of rock fabric and is widely employed in the field of structural geology. Brittle faults are often characterized by fault breccia, fault rocks with clast-in-matrix textures. A noteworthy feature of the breccia is the presence of a fabric defined by the preferred orientation of clasts and grains in the matrix. However, this fabric is often not visible in the field or in thin sections but can be detected by AMS analyses. The sample area of the present study is located within the Cretaceous thin-skinned nappe-system of the Inner Western Carpathians. This Alpine-type orogenic belt is built up by large-scale, few km thick nappes without connection to their root areas. These thin rock slices thrust over large distances without sign of mayor deformation within the nappe slice. All the deformation took place along highly strained, narrow shear zones lubricated by hot fluids. These hydrostatically pressurized zones develop on the bases of the nappes, where basal tectonic breccia was formed. Newly formed, syn-kinematic minerals are growing from the overpressured fluids. These polymict breccias have typical block-in-matrix texture with clast size vary between mm and few cm. The matrix is mainly submillimetre-scale rock fragments and cement. In spite of detailed studies about the physical conditions of nappe movements, there is no information about the tectonic transport direction. Analyses of brittle fault kinematics within the different tectonic slices suggest either NW-SE or N-S compressional stress field during the nappe-stacking. With this study we want to test if the magnetic fabric of tectonic breccia can help to determine the transport direction. The first results are very promising: Area 1 (basal tectonic breccia from Tisovec): the magnetic lineation is well defined and plunges gently towards N-NNW. The stretching lineation observable in the field within the uppermost part of the footwall dips towards ENE and is probably related to an ENE-WSW extensional event affecting the whole nappe-pile after the nappe-stacking. However, the detected magnetic foliation fits nicely into the supposed NW/N-SE/S oriented compressional stress field during the nappe-stacking, prior to the extensional event. Following this interpretation the breccia was formed during nappe stacking and its magnetic fabric was not overprinted by the following extensional event. Area 2 (basal tectonic breccia from Puste Pole): two magnetic fabrics can be measured in different sites: a well-defined magnetic lineation plunging towards NNW/SSE, and a weaker fabric with either WSW or E dipping magnetic lineation. The first fabric can be interpreted in the same way as in area 1. However, the WSW or E oriented magnetic lineation is parallel to the structural stretching lineation associated to the later extensional event. Area 3 (basal tectonic breccia from Telgárt): the magnetic lineation is well defined and dips gently to W, which is parallel to the post-stacking stretching direction. This preliminary results show, that AMS-study of the basal tectonic breccia of thin-skinned nappes can be a powerful method in the future for detecting the hidden anisotropic fabric related to the tectonic movements, even if there are several tectonic events with different directions of movement.

Experimental Investigation of the Flow on a Simple Frigate Shape (SFS)

PubMed Central

Mora, Rafael Bardera

2014-01-01

Helicopters operations on board ships require special procedures introducing additional limitations known as ship helicopter operational limitations (SHOLs) which are a priority for all navies. This paper presents the main results obtained from the experimental investigation of a simple frigate shape (SFS) which is a typical case of study in experimental and computational aerodynamics. The results obtained in this investigation are used to make an assessment of the flow predicted by the SFS geometry in comparison with experimental data obtained testing a ship model (reduced scale) in the wind tunnel and on board (full scale) measurements performed on a real frigate type ship geometry. PMID:24523646

Improved 3D seismic attribute mapping by CRS stacking instead of NMO stacking: Application to a geothermal reservoir in the Polish Basin

NASA Astrophysics Data System (ADS)

Pussak, Marcin; Bauer, Klaus; Stiller, Manfred; Bujakowski, Wieslaw

2014-04-01

Within a seismic reflection processing work flow, the common-reflection-surface (CRS) stack can be applied as an alternative for the conventional normal moveout (NMO) or the dip moveout (DMO) stack. The advantages of the CRS stack include (1) data-driven automatic determination of stacking operator parameters, (2) imaging of arbitrarily curved geological boundaries, and (3) significant increase in signal-to-noise (S/N) ratio by stacking far more traces than used in a conventional stack. In this paper we applied both NMO and CRS stackings to process a sparse 3D seismic data set acquired within a geothermal exploration study in the Polish Basin. The stacked images show clear enhancements in quality achieved by the CRS stack in comparison with the conventional stack. While this was expected from previous studies, we also found remarkable improvements in the quality of seismic attributes when the CRS stack was applied instead of the conventional stack. For the major geothermal target reservoir (Lower Jurassic horizon Ja1), we present a comparison between both stacking methods for a number of common attributes, including root-mean-square (RMS) amplitudes, instantaneous frequencies, coherency, and spectral decomposition attributes derived from the continuous wavelet transform. The attribute maps appear noisy and highly fluctuating after the conventional stack, and are clearly structured after the CRS stack. A seismic facies analysis was finally carried out for the Ja1 horizon using the attributes derived from the CRS stack by using self-organizing map clustering techniques. A corridor parallel to a fault system was identified, which is characterized by decreased RMS amplitudes and decreased instantaneous frequencies. In our interpretation, this region represents a fractured, fluid-bearing compartment within the sandstone reservoir, which indicates favorable conditions for geothermal exploitation.

Coping with Trauma and Stressful Events As a Patient with an Implantable Cardioverter-Defibrillator

MedlinePlus

... 28, 2013 Jessica Ford From the Departments of Psychology (J.F., S.F.S.) and Department of Cardiovascular Sciences (S. ... site Samuel F. Sears From the Departments of Psychology (J.F., S.F.S.) and Department of Cardiovascular Sciences (S. ...

The Effect of Grain Size on the Radiation Response of Silicon Carbide and its Dependence on Irradiation Species and Temperature

NASA Astrophysics Data System (ADS)

Jamison, Laura

In recent years the push for green energy sources has intensified, and as part of that effort accident tolerant and more efficient nuclear reactors have been designed. These reactors demand exceptional material performance, as they call for higher temperatures and doses. Silicon carbide (SiC) is a strong candidate material for many of these designs due to its low neutron cross-section, chemical stability, and high temperature resistance. The possibility of improving the radiation resistance of SiC by reducing the grain size (thus increasing the sink density) is explored in this work. In-situ electron irradiation and Kr ion irradiation was utilized to explore the radiation resistance of nanocrystalline SiC (nc-SiC), SiC nanopowders, and microcrystalline SiC. Electron irradiation simplifies the experimental results, as only isolated Frenkel pairs are produced so any observed differences are simply due to point defect interactions with the original microstructure. Kr ion irradiation simulates neutron damage, as large radiation cascades with a high concentration of point defects are produced. Kr irradiation studies found that radiation resistance decreased with particle size reduction and grain refinement (comparing nc-SiC and microcrystalline SiC). This suggests that an interface-dependent amorphization mechanism is active in SiC, suggested to be interstitial starvation. However, under electron irradiation it was found that nc-SiC had improved radiation resistance compared to single crystal SiC. This was found to be due to several factors including increased sink density and strength and the presence of stacking faults. The stacking faults were found to improve radiation response by lowering critical energy barriers. The change in radiation response between the electron and Kr ion irradiations is hypothesized to be due to either the change in ion type (potential change in amorphization mechanism) or a change in temperature (at the higher temperatures of the Kr ion irradiation, critical energy barriers can be overcome without the assistance of stacking faults). The dependence of the radiation response of SiC on grain size is not as straight forward as initially presumed. The stacking faults present in many nc-SiC materials boost radiation resistance, but an increased number of interfaces may lead to a reduction in radiation response.

Geometry and network connectivity govern the mechanics of stress fibers

PubMed Central

Kassianidou, Elena; Brand, Christoph A.; Kumar, Sanjay

2017-01-01

Actomyosin stress fibers (SFs) play key roles in driving polarized motility and generating traction forces, yet little is known about how tension borne by an individual SF is governed by SF geometry and its connectivity to other cytoskeletal elements. We now address this question by combining single-cell micropatterning with subcellular laser ablation to probe the mechanics of single, geometrically defined SFs. The retraction length of geometrically isolated SFs after cutting depends strongly on SF length, demonstrating that longer SFs dissipate more energy upon incision. Furthermore, when cell geometry and adhesive spacing are fixed, cell-to-cell heterogeneities in SF dissipated elastic energy can be predicted from varying degrees of physical integration with the surrounding network. We apply genetic, pharmacological, and computational approaches to demonstrate a causal and quantitative relationship between SF connectivity and mechanics for patterned cells and show that similar relationships hold for nonpatterned cells allowed to form cell–cell contacts in monolayer culture. Remarkably, dissipation of a single SF within a monolayer induces cytoskeletal rearrangements in cells long distances away. Finally, stimulation of cell migration leads to characteristic changes in network connectivity that promote SF bundling at the cell rear. Our findings demonstrate that SFs influence and are influenced by the networks in which they reside. Such higher order network interactions contribute in unexpected ways to cell mechanics and motility. PMID:28213499

Geometry and network connectivity govern the mechanics of stress fibers.

PubMed

Kassianidou, Elena; Brand, Christoph A; Schwarz, Ulrich S; Kumar, Sanjay

2017-03-07

Actomyosin stress fibers (SFs) play key roles in driving polarized motility and generating traction forces, yet little is known about how tension borne by an individual SF is governed by SF geometry and its connectivity to other cytoskeletal elements. We now address this question by combining single-cell micropatterning with subcellular laser ablation to probe the mechanics of single, geometrically defined SFs. The retraction length of geometrically isolated SFs after cutting depends strongly on SF length, demonstrating that longer SFs dissipate more energy upon incision. Furthermore, when cell geometry and adhesive spacing are fixed, cell-to-cell heterogeneities in SF dissipated elastic energy can be predicted from varying degrees of physical integration with the surrounding network. We apply genetic, pharmacological, and computational approaches to demonstrate a causal and quantitative relationship between SF connectivity and mechanics for patterned cells and show that similar relationships hold for nonpatterned cells allowed to form cell-cell contacts in monolayer culture. Remarkably, dissipation of a single SF within a monolayer induces cytoskeletal rearrangements in cells long distances away. Finally, stimulation of cell migration leads to characteristic changes in network connectivity that promote SF bundling at the cell rear. Our findings demonstrate that SFs influence and are influenced by the networks in which they reside. Such higher order network interactions contribute in unexpected ways to cell mechanics and motility.

Influence of Pre-etching Times on Fatigue Strength of Self-etch Adhesives to Enamel.

PubMed

Takamizawa, Toshiki; Barkmeier, Wayne W; Tsujimoto, Akimasa; Endo, Hajime; Tsuchiya, Kenji; Erickson, Robert L; Latta, Mark A; Miyazaki, Masashi

To use shear bond strength (SBS) and shear fatigue strength (SFS) testing to determine the influence of phosphoric acid pre-etching times prior to application of self-etch adhesives on enamel bonding. Two single-step self-etch universal adhesives (Prime&Bond Elect and Scotchbond Universal), a conventional single-step self-etch adhesive (G-ӕnial Bond), and a conventional two-step self-etch adhesive (OptiBond XTR) were used. The SBS and SFS were obtained with phosphoric acid pre-etching for 3, 10, or 15 s prior to application of the adhesives, and without pre-etching (0 s) as a control. A staircase method was used to determine the SFS with 10 Hz frequency for 50,000 cycles or until failure occurred. The mean demineralization depth for each treated enamel surface was also measured using a profilometer. For all the adhesives, the groups with pre-etching showed significantly higher SBS and SFS than groups without pre-etching. However, there was no significant difference in SBS and SFS among groups with > 3 s of preetching. In addition, although the groups with pre-etching showed significantly deeper demineralization depths than groups without pre-etching, there was no significant difference in depth among groups with > 3 s of pre-etching. Three seconds of phosphoric acid pre-etching prior to application of self-etch adhesive can enhance enamel bonding effectiveness.

Effects of Anodal High-Definition Transcranial Direct Current Stimulation on Bilateral Sensorimotor Cortex Activation During Sequential Finger Movements: An fNIRS Study.

PubMed

Muthalib, Makii; Besson, Pierre; Rothwell, John; Ward, Tomas; Perrey, Stephane

2016-01-01

Transcranial direct current stimulation (tDCS) is a non-invasive electrical brain stimulation technique that can modulate cortical neuronal excitability and activity. This study utilized functional near infrared spectroscopy (fNIRS) neuroimaging to determine the effects of anodal high-definition (HD)-tDCS on bilateral sensorimotor cortex (SMC) activation. Before (Pre), during (Online), and after (Offline) anodal HD-tDCS (2 mA, 20 min) targeting the left SMC, eight healthy subjects performed a simple finger sequence (SFS) task with their right or left hand in an alternating blocked design (30-s rest and 30-s SFS task, repeated five times). In order to determine the level of bilateral SMC activation during the SFS task, an Oxymon MkIII fNIRS system was used to measure from the left and right SMC, changes in oxygenated (O2Hb) and deoxygenated (HHb) haemoglobin concentration values. The fNIRS data suggests a finding that compared to the Pre condition both the "Online" and "Offline" anodal HD-tDCS conditions induced a significant reduction in bilateral SMC activation (i.e., smaller decrease in HHb) for a similar motor output (i.e., SFS tap rate). These findings could be related to anodal HD-tDCS inducing a greater efficiency of neuronal transmission in the bilateral SMC to perform the same SFS task.

75 FR 20400 - Submission for Review: Federal Cyber Service: Scholarship for Service (SFS) Registration Web Site

Federal Register 2010, 2011, 2012, 2013, 2014

2010-04-19

... OFFICE OF PERSONNEL MANAGEMENT Submission for Review: Federal Cyber Service: Scholarship for Service (SFS) Registration Web Site AGENCY: U.S. Office of Personnel Management. ACTION: 60-Day Notice and request for comments. SUMMARY: The Human Resources Solutions, Office of Personnel Management (OPM) offers...

75 FR 57086 - Submission for Review: Federal Cyber Service: Scholarship for Service (SFS) Registration Web Site

Federal Register 2010, 2011, 2012, 2013, 2014

2010-09-17

... OFFICE OF PERSONNEL MANAGEMENT Submission for Review: Federal Cyber Service: Scholarship for Service (SFS) Registration Web Site AGENCY: Office of Personnel Management. ACTION: 30-Day Notice and request for comments. SUMMARY: The Office of Personnel Management (OPM), Human Resources Solutions...

Computer Simulations to Study Diffraction Effects of Stacking Faults in Beta-SiC: II. Experimental Verification. 2; Experimental Verification

NASA Technical Reports Server (NTRS)

Pujar, Vijay V.; Cawley, James D.; Levine, S. (Technical Monitor)

2000-01-01

Earlier results from computer simulation studies suggest a correlation between the spatial distribution of stacking errors in the Beta-SiC structure and features observed in X-ray diffraction patterns of the material. Reported here are experimental results obtained from two types of nominally Beta-SiC specimens, which yield distinct XRD data. These samples were analyzed using high resolution transmission electron microscopy (HRTEM) and the stacking error distribution was directly determined. The HRTEM results compare well to those deduced by matching the XRD data with simulated spectra, confirming the hypothesis that the XRD data is indicative not only of the presence and density of stacking errors, but also that it can yield information regarding their distribution. In addition, the stacking error population in both specimens is related to their synthesis conditions and it appears that it is similar to the relation developed by others to explain the formation of the corresponding polytypes.

Structure of ice crystallized from supercooled water

PubMed Central

Malkin, Tamsin L.; Murray, Benjamin J.; Brukhno, Andrey V.; Anwar, Jamshed; Salzmann, Christoph G.

2012-01-01

The freezing of water to ice is fundamentally important to fields as diverse as cloud formation to cryopreservation. At ambient conditions, ice is considered to exist in two crystalline forms: stable hexagonal ice and metastable cubic ice. Using X-ray diffraction data and Monte Carlo simulations, we show that ice that crystallizes homogeneously from supercooled water is neither of these phases. The resulting ice is disordered in one dimension and therefore possesses neither cubic nor hexagonal symmetry and is instead composed of randomly stacked layers of cubic and hexagonal sequences. We refer to this ice as stacking-disordered ice I. Stacking disorder and stacking faults have been reported earlier for metastable ice I, but only for ice crystallizing in mesopores and in samples recrystallized from high-pressure ice phases rather than in water droplets. Review of the literature reveals that almost all ice that has been identified as cubic ice in previous diffraction studies and generated in a variety of ways was most likely stacking-disordered ice I with varying degrees of stacking disorder. These findings highlight the need to reevaluate the physical and thermodynamic properties of this metastable ice as a function of the nature and extent of stacking disorder using well-characterized samples. PMID:22232652

Structure of ice crystallized from supercooled water.

PubMed

Malkin, Tamsin L; Murray, Benjamin J; Brukhno, Andrey V; Anwar, Jamshed; Salzmann, Christoph G

2012-01-24

The freezing of water to ice is fundamentally important to fields as diverse as cloud formation to cryopreservation. At ambient conditions, ice is considered to exist in two crystalline forms: stable hexagonal ice and metastable cubic ice. Using X-ray diffraction data and Monte Carlo simulations, we show that ice that crystallizes homogeneously from supercooled water is neither of these phases. The resulting ice is disordered in one dimension and therefore possesses neither cubic nor hexagonal symmetry and is instead composed of randomly stacked layers of cubic and hexagonal sequences. We refer to this ice as stacking-disordered ice I. Stacking disorder and stacking faults have been reported earlier for metastable ice I, but only for ice crystallizing in mesopores and in samples recrystallized from high-pressure ice phases rather than in water droplets. Review of the literature reveals that almost all ice that has been identified as cubic ice in previous diffraction studies and generated in a variety of ways was most likely stacking-disordered ice I with varying degrees of stacking disorder. These findings highlight the need to reevaluate the physical and thermodynamic properties of this metastable ice as a function of the nature and extent of stacking disorder using well-characterized samples.

Spaceflight Safety on the North Coast of America

NASA Technical Reports Server (NTRS)

Ciancone, Michael L.; Havenhill, Maria T.; Terlep, Judith A.

1996-01-01

Spaceflight Safety (SFS) engineers at NASA Lewis Research Center (LeRC) are responsible for evaluating the microgravity fluids and combustion experiments, payloads and facilities developed at NASA LeRC which are manifested for spaceflight on the Space Shuttle, the Russian space station Mir, and/or the International Space Station (ISS). An ongoing activity at NASA LeRC is the comprehensive training of its SFS engineers through the creation and use of safety tools and processes. Teams of SFS engineers worked on the development of an Internet website (containing a spaceflight safety knowledge database and electronic templates of safety products) and the establishment of a technical peer review process (known as the Safety Assurance for Lewis Spaceflight Activities (SALSA) review).

Seafloor Age-Stacking Reveals No Evidence for Milankovitch Cycle Influence on Abyssal Hills at Intermediate, Fast and Super-Fast Spreading Rates

NASA Astrophysics Data System (ADS)

Goff, J.; Zahirovic, S.; Müller, D.

2017-12-01

Recently published spectral analyses of seafloor bathymetry concluded that abyssal hills, highly linear ridges that are formed along seafloor spreading centers, exhibit periodicities that correspond to Milankovitch cycles - variations in Earth's orbit that affect climate on periods of 23, 41 and 100 thousand years. These studies argue that this correspondence could be explained by modulation of volcanic output at the mid-ocean ridge due to lithostatic pressure variations associated with rising and falling sea level. If true, then the implications are substantial: mapping the topography of the seafloor with sonar could be used as a way to investigate past climate change. This "Milankovitch cycle" hypothesis predicts that the rise and fall of abyssal hills will be correlated to crustal age, which can be tested by stacking, or averaging, bathymetry as a function of age; stacking will enhance any age-dependent signal while suppressing random components, such as fault-generated topography. We apply age-stacking to data flanking the Southeast Indian Ridge ( 3.6 cm/yr half rate), northern East Pacific Rise ( 5.4 cm/yr half rate) and southern East Pacific Rise ( 7.8 cm/yr half rate), where multibeam bathymetric coverage is extensive on the ridge flanks. At the greatest precision possible given magnetic anomaly data coverage, we have revised digital crustal age models in these regions with updated axis and magnetic anomaly traces. We also utilize known 2nd-order spatial statistical properties of abyssal hills to predict the variability of the age-stack under the null hypothesis that abyssal hills are entirely random with respect to crustal age; the age-stacked profile is significantly different from zero only if it exceeds this expected variability by a large margin. Our results indicate, however, that the null hypothesis satisfactorily explains the age-stacking results in all three regions of study, thus providing no support for the Milankovitch cycle hypothesis. The random nature of abyssal hills is consistent with a primarily faulted origin. .

Synthesis of biodiesel fuel additives from glycerol using green chemistry and supercritical fluids

USDA-ARS?s Scientific Manuscript database

For every 3 moles of fatty acid esters produced, 1 mole of glycerol remains, ~11% of the biodiesel volume. One new method of glycerol use could be as a biodiesel fuel additive/extender using eco-friendly heterogeneous catalysts and supercritical fluids (SFs). SFs have advantages such as greater diff...

78 FR 26664 - Submission for Review: CyberCorps®: Scholarship For Service (SFS) Registration Web Site

Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-07

... OFFICE OF PERSONNEL MANAGEMENT Submission for Review: CyberCorps[supreg]: Scholarship For Service (SFS) Registration Web Site AGENCY: U.S. Office of Personnel Management. ACTION: 60-Day Notice and... of the Web page is necessary to facilitate the timely registration, selection and placement of...

Influence of phytosterol structure on antioxidant activity of steryl ferulates in frying oils

USDA-ARS?s Scientific Manuscript database

Steryl ferulates (SFs) occur in rice, corn, wheat, and rye, and are composed of plant sterols (phytosterols) esterified to ferulic acid. The structures of SFs from each cereal source differ due to differences in the phytosterol head group and these structural differences have been demonstrated to i...

A set-associative, fault-tolerant cache design

NASA Technical Reports Server (NTRS)

Lamet, Dan; Frenzel, James F.

1992-01-01

The design of a defect-tolerant control circuit for a set-associative cache memory is presented. The circuit maintains the stack ordering necessary for implementing the Least Recently Used (LRU) replacement algorithm. A discussion of programming techniques for bypassing defective blocks is included.

Classification and Visualization of Physical and Chemical Properties of Falsified Medicines with Handheld Raman Spectroscopy and X-Ray Computed Tomography.

PubMed

Kakio, Tomoko; Yoshida, Naoko; Macha, Susan; Moriguchi, Kazunobu; Hiroshima, Takashi; Ikeda, Yukihiro; Tsuboi, Hirohito; Kimura, Kazuko

2017-09-01

Analytical methods for the detection of substandard and falsified medical products (SFs) are important for public health and patient safety. Research to understand how the physical and chemical properties of SFs can be most effectively applied to distinguish the SFs from authentic products has not yet been investigated enough. Here, we investigated the usefulness of two analytical methods, handheld Raman spectroscopy (handheld Raman) and X-ray computed tomography (X-ray CT), for detecting SFs among oral solid antihypertensive pharmaceutical products containing candesartan cilexetil as an active pharmaceutical ingredient (API). X-ray CT visualized at least two different types of falsified tablets, one containing many cracks and voids and the other containing aggregates with high electron density, such as from the presence of the heavy elements. Generic products that purported to contain equivalent amounts of API to the authentic products were discriminated from the authentic products by the handheld Raman and the different physical structure on X-ray CT. Approach to investigate both the chemical and physical properties with handheld Raman and X-ray CT, respectively, promise the accurate discrimination of the SFs, even if their visual appearance is similar with authentic products. We present a decision tree for investigating the authenticity of samples purporting to be authentic commercial tablets. Our results indicate that the combination approach of visual observation, handheld Raman and X-ray CT is a powerful strategy for nondestructive discrimination of suspect samples.

Effects of stress fiber contractility on uniaxial stretch guiding mitosis orientation and stress fiber alignment.

PubMed

Zhao, Lei; Sang, Chen; Yang, Chun; Zhuang, Fengyuan

2011-09-02

It has been documented that mitosis orientation (MO) is guided by stress fibers (SFs), which are perpendicular to exogenous cyclic uniaxial stretch. However, the effect of mechanical forces on MO and the mechanism of stretch-induced SFs reorientation are not well elucidated to date. In the present study, we used murine 3T3 fibroblasts as a model, to investigate the effects of uniaxial stretch on SFO and MO utilizing custom-made stretch device. We found that cyclic uniaxial stretch induced both SFs and mitosis directions orienting perpendicularly to the stretch direction. The F-actin and myosin II blockages, which resulted in disoriented SFs and mitosis directions under uniaxial stretch, suggested a high correlation between SFO and MO. Y27632 (10 μM), ML7 (50 μM, or 75 μM), and blebbistatin (50 μM, or 75 μM) treatments resulted in SFO parallel to the principle stretch direction. Upon stimulating and inhibiting the phosphorylation of myosin light chain (p-MLC), we observed a monotonic proportion of SFO to the level of p-MLC. These results suggested that the level of cell contraction is crucial to the response of SFs, either perpendicular or parallel, to the external stretch. Showing the possible role of cell contractility in tuning SFO under external stretch, our experimental data are valuable to understand the predominant factor controlling SFO response to exogenous uniaxial stretch, and thus helpful for improving mechanical models. Copyright © 2011 Elsevier Ltd. All rights reserved.

Dislocation creation and void nucleation in FCC ductile metals under tensile loading: A general microscopic picture

PubMed Central

Pang, Wei-Wei; Zhang, Ping; Zhang, Guang-Cai; Xu, Ai-Guo; Zhao, Xian-Geng

2014-01-01

Numerous theoretical and experimental efforts have been paid to describe and understand the dislocation and void nucleation processes that are fundamental for dynamic fracture modeling of strained metals. To date an essential physical picture on the self-organized atomic collective motions during dislocation creation, as well as the essential mechanisms for the void nucleation obscured by the extreme diversity in structural configurations around the void nucleation core, is still severely lacking in literature. Here, we depict the origin of dislocation creation and void nucleation during uniaxial high strain rate tensile processes in face-centered-cubic (FCC) ductile metals. We find that the dislocations are created through three distinguished stages: (i) Flattened octahedral structures (FOSs) are randomly activated by thermal fluctuations; (ii) The double-layer defect clusters are formed by self-organized stacking of FOSs on the close-packed plane; (iii) The stacking faults are formed and the Shockley partial dislocations are created from the double-layer defect clusters. Whereas, the void nucleation is shown to follow a two-stage description. We demonstrate that our findings on the origin of dislocation creation and void nucleation are universal for a variety of FCC ductile metals with low stacking fault energies. PMID:25382029

Anatomy of anomalously thick sandstone units in the Brent Delta of the northern North Sea

NASA Astrophysics Data System (ADS)

Wei, Xiaojie; Steel, Ronald J.; Ravnås, Rodmar; Jiang, Zaixing; Olariu, Cornel; Ma, Yinsheng

2018-05-01

Some potentially attractive reservoirs, containing anomalously thick (10s to a few 100 m), cross-stratified sandstone, have been locally encountered within both the classic regressive (lower Brent) and the transgressive (upper Brent) segments of the Brent Delta. Three documented cases of these sandstone bodies are re-examined. They are internally dominated by simple or compound dunes, and typified by two types of deepening-upward succession, recording a retrogradational or transgressive shoreline history. Type I is expressed as a single estuarine succession changing upwards from erosive, coarse-grained channelized deposits into outer estuary tidal bar deposits. The estuary is underlain and overlain by deltaic deposits. Type II lacks significant basal river deposits but is composed by stacked mixed-energy and tide-dominated estuarine deposits. It is underlain by deltaic deposits and overlain by open marine sediments. Considering the structural evolution in the northern North Sea basin, we suggest (as did some earlier researchers) that these sandstone bodies were local, but sometimes broad transgressive estuaries, formed at any time during large-scale Brent Delta growth and decay. The estuary generation was likely triggered by fluvial incision coupled with active faulting, producing variable accommodation embayments, where tidal currents became focused and deposition became transgressive. The spatial variations of the interpreted estuary deposits were linked with variable, fault-generated accommodation. The relatively simple, lower Brent estuarine units were created by short-lived, fault activity in places, whereas the complex, stacked upper-Brent estuarine units were likely a result of more long-lived, punctuated fault-induced subsidence leading into the northern North Sea main rifting stage. The thick cross-stratified units potentially accumulated in the hangingwall of large bounding faults.

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

Bache, S; Rong, J

Purpose: To quantify a radiology team’s assessment of image quality differences between two CT scanner models currently in clinical use, with emphasis on spatial resolution that could be impacted by focal spot size. Methods: Modulation Transfer Functions (MTF) measurements were performed by scanning the impulse source insert module of the Catphan 600 at 120/140 kVp with both large (LFS) and small (SFS) focal spots and reconstructed to 2.5mm and 5.0mm thicknesses on a GE Discovery CT750 HD and a LightSpeed VCT CT scanner. MTFs were calculated by summing the 2D PSF along one-dimension to obtain line-spread-function (LSF), and calculating themore » Fourier Transform of the zero-padded and background corrected LSF. Spatial resolution performance was evaluated by comparing MTF curves, 50% and 10% MTF cutoff, and total area under the MTF curve (AUC). In addition, images of the Catphan high-contrast module and a Kagaku anthropomorphic body phantom were acquired from the HD scanner for visual comparisons. Results: For each scanner model, SFS was superior to LFS spatial resolution with respect to 50%/10% MTF cutoff and AUC. For the HD, 50%/10% cutoff was 4.29/7.22cm-1 for the LFS and 4.43/7.45cm-1 for the SFS. VCT outperformed HD, with 50%/10% cutoff of 4.40/7.29 cm-1 for LFS and 4.62/7.47cm-1 for SFS. Scanner model performance in order of decreasing AUC performance was VCT SFS (7.43), HD SFS (7.20), VCT LFS (7.09) and HD LFS (6.93). Visual evaluations of Kagaku phantom images confirmed that VCT outperformed HD. Conclusion: VCT outperformed HD and small focal spot is desired for either model over large focal spot in term of spatial resolution – in agreement with radiologist feedback of overall image quality. In-depth evaluations of clinical impact and focal spot selection mechanisms is currently being assessed.« less

Machine-learning scoring functions for identifying native poses of ligands docked to known and novel proteins.

PubMed

Ashtawy, Hossam M; Mahapatra, Nihar R

2015-01-01

Molecular docking is a widely-employed method in structure-based drug design. An essential component of molecular docking programs is a scoring function (SF) that can be used to identify the most stable binding pose of a ligand, when bound to a receptor protein, from among a large set of candidate poses. Despite intense efforts in developing conventional SFs, which are either force-field based, knowledge-based, or empirical, their limited docking power (or ability to successfully identify the correct pose) has been a major impediment to cost-effective drug discovery. Therefore, in this work, we explore a range of novel SFs employing different machine-learning (ML) approaches in conjunction with physicochemical and geometrical features characterizing protein-ligand complexes to predict the native or near-native pose of a ligand docked to a receptor protein's binding site. We assess the docking accuracies of these new ML SFs as well as those of conventional SFs in the context of the 2007 PDBbind benchmark dataset on both diverse and homogeneous (protein-family-specific) test sets. Further, we perform a systematic analysis of the performance of the proposed SFs in identifying native poses of ligands that are docked to novel protein targets. We find that the best performing ML SF has a success rate of 80% in identifying poses that are within 1 Å root-mean-square deviation from the native poses of 65 different protein families. This is in comparison to a success rate of only 70% achieved by the best conventional SF, ASP, employed in the commercial docking software GOLD. In addition, the proposed ML SFs perform better on novel proteins that they were never trained on before. We also observed steady gains in the performance of these scoring functions as the training set size and number of features were increased by considering more protein-ligand complexes and/or more computationally-generated poses for each complex.

Soluble Factors from Human Olfactory Neural Stem/Progenitor Cells Influence the Fate Decisions of Hippocampal Neural Precursor Cells.

PubMed

Gómez-Virgilio, Laura; Ramírez-Rodríguez, Gerardo Bernabé; Sánchez-Torres, Carmen; Ortiz-López, Leonardo; Meraz-Ríos, Marco Antonio

2018-03-01

Neurogenesis plays a significant role during adulthood, and the observation that neural stem cells reside in the central nervous system and the olfactory epithelium has attracted attention due to their importance in neuronal regeneration. In addition, soluble factors (SFs) release by neural stem cells may modulate the neurogenic process. Thus, in this study, we identified the SFs released by olfactory human neural stem/progenitor cells (hNS/PCs-OE). These cells express Ki67, nestin, and βIII-tubulin, indicating their neural lineage. The hNS/PCs-OE also express PSD95 and tau proteins during proliferation, but increased levels are observed after differentiation. Thus, we evaluated the effects of SFs from hNS/PCs-OE on the viability, proliferation, and differentiation potential of adult murine hippocampal neural precursor cells (AHPCs). SFs from hNS/PCs-OE maintain cells in the precursor and proliferative stages and mainly promote the astrocytic differentiation of AHPCs. These effects involved the activation, as measured by phosphorylation, of several proteins (Erk1/2; Akt/PRAS40/GSK3β and JAK/STAT) involved in key events of the neurogenic process. Moreover, according to the results from the antibody-based microarray approach, among the soluble factors, hNS/PCs-OE produce interleukin-6 (IL-6) and neurotrophin 4 (NT4). However, residual epidermal growth factor (EGF) was also detected. These proteins partially reproduced the effects of SFs from hNS/PCs-OE on AHPCs, and the mechanism underlying these effects is mediated by Src proteins, which have been implicated in EGF-induced transactivation of TrkB receptor. The results of the present study suggest the potential use of SFs from hNS/PCs-OE in controlling the differentiation potential of AHPCs. Thus, the potential clinical relevance of hNS/PCs-OE is worth pursuing.

Machine-learning scoring functions for identifying native poses of ligands docked to known and novel proteins

PubMed Central

2015-01-01

Background Molecular docking is a widely-employed method in structure-based drug design. An essential component of molecular docking programs is a scoring function (SF) that can be used to identify the most stable binding pose of a ligand, when bound to a receptor protein, from among a large set of candidate poses. Despite intense efforts in developing conventional SFs, which are either force-field based, knowledge-based, or empirical, their limited docking power (or ability to successfully identify the correct pose) has been a major impediment to cost-effective drug discovery. Therefore, in this work, we explore a range of novel SFs employing different machine-learning (ML) approaches in conjunction with physicochemical and geometrical features characterizing protein-ligand complexes to predict the native or near-native pose of a ligand docked to a receptor protein's binding site. We assess the docking accuracies of these new ML SFs as well as those of conventional SFs in the context of the 2007 PDBbind benchmark dataset on both diverse and homogeneous (protein-family-specific) test sets. Further, we perform a systematic analysis of the performance of the proposed SFs in identifying native poses of ligands that are docked to novel protein targets. Results and conclusion We find that the best performing ML SF has a success rate of 80% in identifying poses that are within 1 Å root-mean-square deviation from the native poses of 65 different protein families. This is in comparison to a success rate of only 70% achieved by the best conventional SF, ASP, employed in the commercial docking software GOLD. In addition, the proposed ML SFs perform better on novel proteins that they were never trained on before. We also observed steady gains in the performance of these scoring functions as the training set size and number of features were increased by considering more protein-ligand complexes and/or more computationally-generated poses for each complex. PMID:25916860

Mid-term haemodynamic and clinical results after aortic valve replacement using the Freedom Solo stentless bioprosthesis versus the Carpentier Edwards Perimount stented bioprosthesis.

PubMed

van der Straaten, Ellen P J; Rademakers, Leonard M; van Straten, Albert H M; Houterman, Saskia; Tan, M Erwin S H; Soliman Hamad, Mohamed A

2016-04-01

The aim of this study was to investigate the mid-term haemodynamic and clinical results after aortic valve replacement (AVR) using the Sorin Freedom Solo (SFS) stentless bioprosthesis, compared with the standard Carpentier Edwards Perimount (CEP) stented bioprosthesis. In this retrospective cohort study of prospectively collected data, 116 patients were included in the SFS group (53 males; median age 74 years, range 56-85 years), and 122 patients in the CEP group (85 males; median age 73 years, range 43-88 years) between July 2007 and January 2013. Echocardiography was performed at 6 weeks after surgery in our centre, and the most recent echocardiography (in our centre or in referring cardiology departments) was requested. Between September 2013 and April 2014, all patients were called by the same researcher to gain clinical follow-up data. Mid-term mortality was 16.4% in the SFS group (19 patients) and 21.3% in the CEP group (26 patients); (P = 0.3). The mean transvalvular gradient was 7.4 ± 3.1 mmHg in the SFS group, and 11.6 ± 3.2 mmHg in the CEP group at 6 weeks postoperatively (P < 0.001). When stratified by labelled valve size, mean gradients were significantly lower in the SFS group for every size (P ≤ 0.03). After 3.3 ± 1.4 years of follow-up, the mean gradient was still significantly lower in the SFS group than that in the CEP group (P < 0.001). Clinical follow-up showed relatively low complication rates. These data suggest that the Sorin Freedom Solo stentless bioprosthesis is as safe as the Carpentier Edwards bioprosthesis, and provides better short- and mid-term haemodynamic performance than the Carpentier Edwards bioprosthesis. © The Author 2015. Published by Oxford University Press on behalf of the European Association for Cardio-Thoracic Surgery. All rights reserved.

Establishment of a large semi-field system for experimental study of African malaria vector ecology and control in Tanzania

PubMed Central

Ferguson, Heather M; Ng'habi, Kija R; Walder, Thomas; Kadungula, Demetrius; Moore, Sarah J; Lyimo, Issa; Russell, Tanya L; Urassa, Honorathy; Mshinda, Hassan; Killeen, Gerry F; Knols, Bart GJ

2008-01-01

Background Medical entomologists increasingly recognize that the ability to make inferences between laboratory experiments of vector biology and epidemiological trends observed in the field is hindered by a conceptual and methodological gap occurring between these approaches which prevents hypothesis-driven empirical research from being conducted on relatively large and environmentally realistic scales. The development of Semi-Field Systems (SFS) has been proposed as the best mechanism for bridging this gap. Semi-field systems are defined as enclosed environments, ideally situated within the natural ecosystem of a target disease vector and exposed to ambient environmental conditions, in which all features necessary for its life cycle completion are present. Although the value of SFS as a research tool for malaria vector biology is gaining recognition, only a few such facilities exist worldwide and are relatively small in size (< 100 m2). Methods The establishment of a 625 m2 state-of-the-art SFS for large-scale experimentation on anopheline mosquito ecology and control within a rural area of southern Tanzania, where malaria transmission intensities are amongst the highest ever recorded, is described. Results A greenhouse frame with walls of mosquito netting and a polyethylene roof was mounted on a raised concrete platform at the Ifakara Health Institute. The interior of the SFS was divided into four separate work areas that have been set up for a variety of research activities including mass-rearing for African malaria vectors under natural conditions, high throughput evaluation of novel mosquito control and trapping techniques, short-term assays of host-seeking behaviour and olfaction, and longer-term experimental investigation of anopheline population dynamics and gene flow within a contained environment that simulates a local village domestic setting. Conclusion The SFS at Ifakara was completed and ready for use in under two years. Preliminary observations indicate that realistic and repeatable observations of anopheline behaviour are obtainable within the SFS, and that habitat and climatic features representative of field conditions can be simulated within it. As work begins in the SFS in Ifakara and others around the world, the major opportunities and challenges to the successful application of this tool for malaria vector research and control are discussed. PMID:18715508

Effect of the fcc-hcp martensitic transition on the equation of state of solid krypton up to 140 GPa

NASA Astrophysics Data System (ADS)

Rosa, A. D.; Garbarino, G.; Briggs, R.; Svitlyk, V.; Morard, G.; Bouhifd, M. A.; Jacobs, J.; Irifune, T.; Mathon, O.; Pascarelli, S.

2018-03-01

Solid krypton (Kr) undergoes a pressure-induced martensitic phase transition from a face-centered cubic (fcc) to a hexagonal close-packed (hcp) structure. These two phases coexist in a very wide pressure domain inducing important modifications of the bulk properties of the resulting mixed phase system. Here, we report a detailed in situ x-ray diffraction and absorption study of the influence of the fcc-hcp phase transition on the compression behavior of solid krypton in an extended pressure domain up to 140 GPa. The onset of the hcp-fcc transformation was observed in this study at around 2.7 GPa and the coexistence of these two phases up to 140 GPa, the maximum investigated pressure. The appearance of the hcp phase is also evidenced by the pressure-induced broadening and splitting of the first peak in the XANES spectra. We demonstrate that the transition is driven by a continuous nucleation and intergrowth of nanometric hcp stacking faults that evolve in the fcc phase. These hcp stacking faults are unaffected by high-temperature annealing, suggesting that plastic deformation is not at their origin. The apparent small Gibbs free-energy differences between the two structures that decrease upon compression may explain the nucleation of hcp stacking faults and the large coexistence domain of fcc and hcp krypton. We observe a clear anomaly in the equation of state of the fcc solid at ˜20 GPa when the proportion of the hcp form reaches ˜20 % . We demonstrate that this anomaly is related to the difference in stiffness between the fcc and hcp phases and propose two distinct equation of states for the low and high-pressure regimes.

Seismic Modeling of the Alasehir Graben, Western Turkey

NASA Astrophysics Data System (ADS)

Gozde Okut, Nigar; Demirbag, Emin

2014-05-01

The purpose of this study is to develop a depth model to make synthetic seismic reflection sections, such as stacked and migrated sections with different velocity models. The study area is east-west trending Alasehir graben which is one of the most prominent structure in the western Anatolia, proved to have geothermal energy potential by researchers and exploration companies. Geological formations were taken from Alaşehir-1 borehole drilled by Turkish Petroleum Corporation (Çiftçi, 2007) and seismic interval velocities were taken from check-shots in the same borehole (Kolenoǧlu-Demircioǧlu, 2009). The most important structure is the master graben bounding fault (MGBF) in the southern margin of the Alasehir graben. Another main structure is the northern bounding fault called the antithetic fault of the MGBF with high angle normal fault characteristic. MGBF is a crucial contact between sedimentary cover and the metamorphic basement. From basement to the surface, five different stratigraphic units constitute graben fill . All the sedimentary units thicknesses get thinner from the southern margin to the northern margin of the Alasehir graben displaying roll-over geometry. A commercial seismic data software was used during modeling. In the first step, a 2D velocity/depth model was defined. Ray tracing was carried out with diffraction option to produce the reflection travel times. The reflection coefficients were calculated and wavelet shaping was carried out by means of band-pass filtering. Finally synthetic stacked section of the Alasehir graben was obtained. Then, migrated sections were generated with different velocity models. From interval velocities, average and RMS velocities were calculated for the formation entires to test how the general features of the geological model may change against different seismic models after the migration. Post-stack time migration method was used. Pseudo-velocity analysis was applied at selected CDP locations. In theory, seismic migration moves events to their correct spatial locations and collapse energy from diffractions back to their scattering points. This features of migration can be distinguished in the migrated sections. When interval velocities used, all the diffractions are removed and fault planes can be seen clearly. When average velocities used, MGBF plane extends to greater depths. Additionally, slope angles and locations of antithetic faults in the northern margin of the graben changes. When RMS velocities used, a migrated section was obtained for which to make an interpretation was quite hard, especially for the main structures along the northern margin and reflections related to formations.

Fault Diagnosis for Rotating Machinery Using Vibration Measurement Deep Statistical Feature Learning.

PubMed

Li, Chuan; Sánchez, René-Vinicio; Zurita, Grover; Cerrada, Mariela; Cabrera, Diego

2016-06-17

Fault diagnosis is important for the maintenance of rotating machinery. The detection of faults and fault patterns is a challenging part of machinery fault diagnosis. To tackle this problem, a model for deep statistical feature learning from vibration measurements of rotating machinery is presented in this paper. Vibration sensor signals collected from rotating mechanical systems are represented in the time, frequency, and time-frequency domains, each of which is then used to produce a statistical feature set. For learning statistical features, real-value Gaussian-Bernoulli restricted Boltzmann machines (GRBMs) are stacked to develop a Gaussian-Bernoulli deep Boltzmann machine (GDBM). The suggested approach is applied as a deep statistical feature learning tool for both gearbox and bearing systems. The fault classification performances in experiments using this approach are 95.17% for the gearbox, and 91.75% for the bearing system. The proposed approach is compared to such standard methods as a support vector machine, GRBM and a combination model. In experiments, the best fault classification rate was detected using the proposed model. The results show that deep learning with statistical feature extraction has an essential improvement potential for diagnosing rotating machinery faults.

Fault Diagnosis for Rotating Machinery Using Vibration Measurement Deep Statistical Feature Learning

PubMed Central

Li, Chuan; Sánchez, René-Vinicio; Zurita, Grover; Cerrada, Mariela; Cabrera, Diego

2016-01-01

Fault diagnosis is important for the maintenance of rotating machinery. The detection of faults and fault patterns is a challenging part of machinery fault diagnosis. To tackle this problem, a model for deep statistical feature learning from vibration measurements of rotating machinery is presented in this paper. Vibration sensor signals collected from rotating mechanical systems are represented in the time, frequency, and time-frequency domains, each of which is then used to produce a statistical feature set. For learning statistical features, real-value Gaussian-Bernoulli restricted Boltzmann machines (GRBMs) are stacked to develop a Gaussian-Bernoulli deep Boltzmann machine (GDBM). The suggested approach is applied as a deep statistical feature learning tool for both gearbox and bearing systems. The fault classification performances in experiments using this approach are 95.17% for the gearbox, and 91.75% for the bearing system. The proposed approach is compared to such standard methods as a support vector machine, GRBM and a combination model. In experiments, the best fault classification rate was detected using the proposed model. The results show that deep learning with statistical feature extraction has an essential improvement potential for diagnosing rotating machinery faults. PMID:27322273

The defective nature of ice Ic and its implications for atmospheric science

NASA Astrophysics Data System (ADS)

Kuhs, W. F.; Hansen, T. C.

2009-04-01

The possible atmospheric implication of ice Ic (cubic ice) has already been suggested some time ago in the context of snow crystal formation [1]. New findings from air-borne measurements in cirrus clouds and contrails have put ice Ic into the focus of interest to understand the so-called "supersaturation puzzle" [2,3,4,5]. Our recent microstructural work on ice Ic [6,7] appears to be highly relevant in this context. We have found that ice Ic is characterized by a complex stacking fault pattern, which changes as a function of temperature as well as time. Indeed, from our own [8] and other group's work [9] one knows that (in contrast to earlier believe) ice Ic can form up to temperatures at least as high as 240K - thus in the relevant range for cirrus clouds. We have good preliminary evidence that the "cubicity" (which can be related to stacking fault probabilities) as well as the particle size of ice Ic are the relevant parameters for this correlation. The "cubicity" of stacking faulty ice Ic (established by diffraction) correlates nicely with the increased supersaturation at decreasing temperatures observed in cirrus clouds and contrails, a fact, which may be considered as further evidence for the presence of ice Ic. Moreover, the stacking faults lead to kinks in the outer shapes of the minute ice Ic crystals as seen by cryo scanning electron microscopy (cryo-SEM); these defective sites are likely to play some role in heterogeneous reactions in the atmosphere. The cryo-SEM work suggests that stacking-faulty ice Ic has many more active centres for such reactions than the usually considered thermodynamically stable form, ice Ih. [1] T Kobayashi & T Kuroda (1987) Snow Crystals. In: Morphology of Crystals (ed. I Sunagawa), Terra Scientific Publishing, Tokyo, pp.649-743. [2] DM Murphy (2003) Dehydration in cold clouds is enhanced by a transition from from cubic to hexagonal ice. Geophys.Res.Lett.,30, 2230, doi:10.1029/2003GL018566. [3] RS Gao & 19 other authors (2004) Evidence that nitric acid increases relative humidity in low-temperature cirrus clouds. Science 303, 516-520. [4] T Peter, C Marcolli, P Spaichinger, T Corti, MC Baker & T Koop (2006) When dry air is too humid. Science 314, 1399-1402. [5] JE Shilling, MA Tolbert, OB Toon, EJ Jensen, BJ Murray & AK Bertram (2006) Measurements of the vapor pressure of cubic ice and their implications for atmospheric ice clouds. Geophys.Res.Lett. 33, 026671. [6] TC Hansen, MM Koza & WF Kuhs (2008) Formation and annealing of cubic ice: I Modelling of stacking faults. J.Phys.Cond.Matt. 20, 285104. [7] TC Hansen, MM Koza, P Lindner & WF Kuhs (2008) Formation and annealing of cubic ice: II. Kinetic study. J.Phys.Cond.Matt. 20, 285105. [8] WF Kuhs, G Genov, DK Staykova & AN Salamatin (2004) Ice perfection and the onset of anomalous preservation of gas hydrates. Phys.Chem.Chem.Phys. 6, 4917-4920. [9] BJ Murray, DA Knopf & AK Bertram (2005) The formation of cubic ice under conditions relevant to Earth's atmosphere. Nature 434, 292-205.

Creep deformation mechanism mapping in nickel base disk superalloys

DOE PAGES

Smith, Timothy M.; Unocic, Raymond R.; Deutchman, Hallee; ...

2016-05-10

We investigated the creep deformation mechanisms at intermediate temperature in ME3, a modern Ni-based disk superalloy, using diffraction contrast imaging. Both conventional transmission electron microscopy (TEM) and scanning TEM were utilised. Distinctly different deformation mechanisms become operative during creep at temperatures between 677-815 °C and at stresses ranging from 274 to 724 MPa. Both polycrystalline and single-crystal creep tests were conducted. The single-crystal tests provide new insight into grain orientation effects on creep response and deformation mechanisms. Creep at lower temperatures (≤760 °C) resulted in the thermally activated shearing modes such as microtwinning, stacking fault ribbons and isolated superlattice extrinsicmore » stacking faults. In contrast, these faulting modes occurred much less frequently during creep at 815 °C under lower applied stresses. Instead, the principal deformation mode was dislocation climb bypass. In addition to the difference in creep behaviour and creep deformation mechanisms as a function of stress and temperature, it was also observed that microstructural evolution occurs during creep at 760 °C and above, where the secondary coarsened and the tertiary precipitates dissolved. Based on this work, a creep deformation mechanism map is proposed, emphasising the influence of stress and temperature on the underlying creep mechanisms.« less

Using step and path selection functions for estimating resistance to movement: Pumas as a case study

Treesearch

Katherine A. Zeller; Kevin McGarigal; Samuel A. Cushman; Paul Beier; T. Winston Vickers; Walter M. Boyce

2015-01-01

GPS telemetry collars and their ability to acquire accurate and consistently frequent locations have increased the use of step selection functions (SSFs) and path selection functions (PathSFs) for studying animal movement and estimating resistance. However, previously published SSFs and PathSFs often do not accommodate multiple scales or multiscale modeling....

Type-II domains in ferroelectric gadolinium molybdate (in German)

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

Bohm, J.; Kuersten, H.D.

Etching (001)-faces of gadolinium molybdate (GMO) reveals new kinds of domains. They are created by a translation, that leaves the spontaneous polarization and the transition parameter invariant. The translation vector is a part of a lattice vector, similar to stacking faults. (auth)

Pretest analysis document for Test S-FS-7

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

Hall, D.G.

This report documents the pretest calculations completed for Semiscale Test S-FS-7. This test will simulate a transient initiated by a 14.3% break in a steam generator bottom feedwater line downstream of the check valve. The initial conditions represent normal operating conditions for a C-E System 80 nuclear power plant. Predictions of transients resulting from feedwater line breaks in these plants have indicated that significant primary system overpressurization may occur. The results of a RELAP5/MOD2/CY21 code calculation indicate that the test objectives for Test S-FS-7 can be achieved. The primary system overpressurization will occur but pose no threat to personnel ormore » to plant integrity. 3 refs., 15 figs., 5 tabs.« less

Pretest analysis document for Test S-FS-11

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

Hall, D.G.; Shaw, R.A.

This report documents the pretest calculations completed for Semiscale Test S-FS-11. This test will simulate a transient initiated by a 50% break in a steam generator bottom feedwater line downstream of the check valve. The initial conditions represents normal operating conditions for a C-E System 80 nuclear plant. Prediction of transients resulting from feedwater line breaks in these plants have indicated that significant primary system overpressurization may occur. The results of a RELAP5/MOD2/CY21 code calculation indicate that the test objectives for Test S-FS-11 can be achieved. The primary system overpressurization will occur but pose no threat to personnel or plantmore » integrity. 3 refs., 15 figs., 5 tabs.« less

Design for Fe-high Mn alloy with an improved combination of strength and ductility.

PubMed

Lee, Seung-Joon; Han, Jeongho; Lee, Sukjin; Kang, Seok-Hyeon; Lee, Sang-Min; Lee, Young-Kook

2017-06-15

Recently, Fe-Mn twinning-induced plasticity steels with an austenite phase have been the course of great interest due to their excellent combination of tensile strength and ductility, which carbon steels have never been able to attain. Nevertheless, twinning-induced plasticity steels also exhibit a trade-off between strength and ductility, a longstanding dilemma for physical metallurgists, when fabricated based on the two alloy design parameters of stacking fault energy and grain size. Therefore, we investigated the tensile properties of three Fe-Mn austenitic steels with similar stacking fault energy and grain size, but different carbon concentrations. Surprisingly, when carbon concentration increased, both strength and ductility significantly improved. This indicates that the addition of carbon resulted in a proportionality between strength and ductility, instead of a trade-off between those characteristics. This new design parameter, C concentration, should be considered as a design parameter to endow Fe-Mn twinning-induced plasticity steel with a better combination of strength and ductility.

Two-Dimensional Ordering of Solute Nanoclusters at a Close-Packed Stacking Fault: Modeling and Experimental Analysis

PubMed Central

Kimizuka, Hajime; Kurokawa, Shu; Yamaguchi, Akihiro; Sakai, Akira; Ogata, Shigenobu

2014-01-01

Predicting the equilibrium ordered structures at internal interfaces, especially in the case of nanometer-scale chemical heterogeneities, is an ongoing challenge in materials science. In this study, we established an ab-initio coarse-grained modeling technique for describing the phase-like behavior of a close-packed stacking-fault-type interface containing solute nanoclusters, which undergo a two-dimensional disorder-order transition, depending on the temperature and composition. Notably, this approach can predict the two-dimensional medium-range ordering in the nanocluster arrays realized in Mg-based alloys, in a manner consistent with scanning tunneling microscopy-based measurements. We predicted that the repulsively interacting solute-cluster system undergoes a continuous evolution into a highly ordered densely packed morphology while maintaining a high degree of six-fold orientational order, which is attributable mainly to an entropic effect. The uncovered interaction-dependent ordering properties may be useful for the design of nanostructured materials utilizing the self-organization of two-dimensional nanocluster arrays in the close-packed interfaces. PMID:25471232

Direct observation of multiple rotational stacking faults coexisting in freestanding bilayer MoS2.

PubMed

Li, Zuocheng; Yan, Xingxu; Tang, Zhenkun; Huo, Ziyang; Li, Guoliang; Jiao, Liying; Liu, Li-Min; Zhang, Miao; Luo, Jun; Zhu, Jing

2017-08-16

Electronic properties of two-dimensional (2D) MoS 2 semiconductors can be modulated by introducing specific defects. One important type of defect in 2D layered materials is known as rotational stacking fault (RSF), but the coexistence of multiple RSFs with different rotational angles was not directly observed in freestanding 2D MoS 2 before. In this report, we demonstrate the coexistence of three RSFs with three different rotational angles in a freestanding bilayer MoS 2 sheet as directly observed using an aberration-corrected transmission electron microscope (TEM). Our analyses show that these RSFs originate from cracks and dislocations within the bilayer MoS 2 . First-principles calculations indicate that RSFs with different rotational angles change the electronic structures of bilayer MoS 2 and produce two new symmetries in their bandgaps and offset crystal momentums. Therefore, employing RSFs and their coexistence is a promising route in defect engineering of MoS 2 to fabricate suitable devices for electronics, optoelectronics, and energy conversion.

Plasticity mechanisms in HfN at elevated and room temperature.

PubMed

Vinson, Katherine; Yu, Xiao-Xiang; De Leon, Nicholas; Weinberger, Christopher R; Thompson, Gregory B

2016-10-06

HfN specimens deformed via four-point bend tests at room temperature and at 2300 °C (~0.7 T m ) showed increased plasticity response with temperature. Dynamic diffraction via transmission electron microscopy (TEM) revealed ⟨110⟩{111} as the primary slip system in both temperature regimes and ⟨110⟩{110} to be a secondary slip system activated at elevated temperature. Dislocation line lengths changed from a primarily linear to a curved morphology with increasing temperature suggestive of increased dislocation mobility being responsible for the brittle to ductile temperature transition. First principle generalized stacking fault energy calculations revealed an intrinsic stacking fault (ISF) along ⟨112⟩{111}, which is the partial dislocation direction for slip on these close packed planes. Though B1 structures, such as NaCl and HfC predominately slip on ⟨110⟩{110}, the ISF here is believed to facilitate slip on the {111} planes for this B1 HfN phase.

The effects of intrinsic properties and defect structures on the indentation size effect in metals

NASA Astrophysics Data System (ADS)

Maughan, Michael R.; Leonard, Ariel A.; Stauffer, Douglas D.; Bahr, David F.

2017-08-01

The indentation size effect has been linked to the generation of geometrically necessary dislocations that may be impacted by intrinsic materials properties, such as stacking fault energy, and extrinsic defects, such as statistically stored dislocations. Nanoindentation was carried out at room temperature and elevated temperatures on four different metals in a variety of microstructural conditions. A size effect parameter was determined for each material set combining the effects of temperature and existing dislocation structure. Extrinsic defects, particularly dislocation density, dominate the size effect parameter over those due to intrinsic properties such as stacking fault energy. A multi-mechanism description using a series of mechanisms, rather than a single mechanism, is presented as a phenomenological explanation for the observed size effect in these materials. In this description, the size effect begins with a volume scale dominated by sparse sources, next is controlled by the ability of dislocations to cross-slip and multiply, and then finally at larger length scales work hardening and recovery dominate the effect.

Effect of interstitial and substitution alloying elements on the intrinsic stacking fault energy of nanocrystalline fcc-iron by atomistic simulation study

NASA Astrophysics Data System (ADS)

Mohammadzadeh, Mina; Mohammadzadeh, Roghayeh

2017-11-01

The stacking fault energy (SFE) is an important parameter in the deformation mechanism of face centered cubic (fcc) iron-based alloy. In this study, the effect of interstitial (C and N) and substitution (Nb and Ti) alloying elements on the intrinsic SFE (ISFE) of nanocrystalline iron were investigated via molecular dynamics (MD) simulation. The modified embedded atom method (MEAM) inter-atomic potential was used in the MD simulations. The results demonstrate a strong dependence of ISFE with addition of interstitial alloying elements but only a mild increase in ISFE with addition of substitution alloying elements in the composition range of 0 < {CNb, CTi} < 3 (at%). Moreover, it is shown that alloying of fcc iron with N decreases ISFE, whereas it increases significantly by addition of carbon element [0 < {CC, CN} < 3.5 (at%)]. The simulation method employed in this work shows reasonable agreement with some published experimental/calculated data.

Creep mechanisms of a new Ni-Co-base disc superalloy at an intermediate temperature.

PubMed

Yuan, Y; Gu, Y F; Zhong, Z H; Osada, T; Cui, C Y; Tetsui, T; Yokokawa, T; Harada, H

2012-10-01

The microstructures of a new Ni-Co-base disc superalloy, TMW-4M3, before and after the creep test at 725 °C/630 MPa have been systematically investigated by transmission electron microscopy (TEM). The crept microstructures were marked as three different deformation stages (I, II and III) corresponding to the gradually increased strain. At stage I, stacking fault (SF) shearing was the main deformation mechanism. The SF was extrinsic and lay on {111} plane. However, deformation microtwinning became the dominant mode at stage II and III. The average spacing of deformation twins decreased from 109 ± 15 nm at stage II to 76 ± 12 nm at stage III, whereas the twin thickness did not change significantly. The influence of stacking fault energy (SFE) of γ matrix on the deformation mechanism is discussed. It is suggested that lower SFE in TMW-4M3 is partly responsible for the enhanced creep resistance. © 2012 The Authors Journal of Microscopy © 2012 Royal Microscopical Society.

Phase transformation strengthening of high-temperature superalloys

PubMed Central

Smith, T. M.; Esser, B. D.; Antolin, N.; Carlsson, A.; Williams, R. E. A.; Wessman, A.; Hanlon, T.; Fraser, H. L.; Windl, W.; McComb, D. W.; Mills, M. J.

2016-01-01

Decades of research has been focused on improving the high-temperature properties of nickel-based superalloys, an essential class of materials used in the hot section of jet turbine engines, allowing increased engine efficiency and reduced CO2 emissions. Here we introduce a new ‘phase-transformation strengthening' mechanism that resists high-temperature creep deformation in nickel-based superalloys, where specific alloying elements inhibit the deleterious deformation mode of nanotwinning at temperatures above 700 °C. Ultra-high-resolution structure and composition analysis via scanning transmission electron microscopy, combined with density functional theory calculations, reveals that a superalloy with higher concentrations of the elements titanium, tantalum and niobium encourage a shear-induced solid-state transformation from the γ′ to η phase along stacking faults in γ′ precipitates, which would normally be the precursors of deformation twins. This nanoscale η phase creates a low-energy structure that inhibits thickening of stacking faults into twins, leading to significant improvement in creep properties. PMID:27874007

Characterization of high-quality kerfless epitaxial silicon for solar cells: Defect sources and impact on minority-carrier lifetime

NASA Astrophysics Data System (ADS)

Kivambe, Maulid M.; Powell, Douglas M.; Castellanos, Sergio; Jensen, Mallory Ann; Morishige, Ashley E.; Lai, Barry; Hao, Ruiying; Ravi, T. S.; Buonassisi, Tonio

2018-02-01

We investigate the types and origins of structural defects in thin (<100 μm) kerfless epitaxial single crystal silicon grown on top of reorganized porous silicon layers. Although the structural defect density is low (has average defect density < 104 cm-2), localized areas with a defect density > 105 cm-2 are observed. Cross-sectional and systematic plan-view defect etching and microscopy reveals that the majority of stacking faults and dislocations originate at the interface between the porous silicon layer and the epitaxial wafer. Localised dislocation clusters are observed in regions of collapsed/deformed porous silicon and at decorated stacking faults. In localized regions of high extended defect density, increased minority-carrier recombination activity is observed. Evidence for impurity segregation to the extended defects (internal gettering), which is known to exacerbate carrier recombination is demonstrated. The impact of the defects on material performance and substrate re-use is also discussed.

Fallon, Nevada FORGE Seismic Reflection Profiles

DOE Data Explorer

Blankenship, Doug; Faulds, James; Queen, John; Fortuna, Mark

2018-02-01

Newly reprocessed Naval Air Station Fallon (1994) seismic lines: pre-stack depth migrations, with interpretations to support the Fallon FORGE (Phase 2B) 3D Geologic model. Data along seven profiles (>100 km of total profile length) through and adjacent to the Fallon site were re-processed. The most up-to-date, industry-tested seismic processing techniques were utilized to improve the signal strength and coherency in the sedimentary, volcanic, and Mesozoic crystalline basement sections, in conjunction with fault diffractions in order to improve the identification and definition of faults within the study area.

Fault zone structure and inferences on past activities of the active Shanchiao Fault in the Taipei metropolis, northern Taiwan

NASA Astrophysics Data System (ADS)

Chen, C.; Lee, J.; Chan, Y.; Lu, C.

2010-12-01

The Taipei Metropolis, home to around 10 million people, is subject to seismic hazard originated from not only distant faults or sources scattered throughout the Taiwan region, but also active fault lain directly underneath. Northern Taiwan including the Taipei region is currently affected by post-orogenic (Penglai arc-continent collision) processes related to backarc extension of the Ryukyu subduction system. The Shanchiao Fault, an active normal fault outcropping along the western boundary of the Taipei Basin and dipping to the east, is investigated here for its subsurface structure and activities. Boreholes records in the central portion of the fault were analyzed to document the stacking of post- Last Glacial Maximum growth sediments, and a tulip flower structure is illuminated with averaged vertical slip rate of about 3 mm/yr. Similar fault zone architecture and post-LGM tectonic subsidence rate is also found in the northern portion of the fault. A correlation between geomorphology and structural geology in the Shanchiao Fault zone demonstrates an array of subtle geomorphic scarps corresponds to the branch fault while the surface trace of the main fault seems to be completely erased by erosion and sedimentation. Such constraints and knowledge are crucial in earthquake hazard evaluation and mitigation in the Taipei Metropolis, and in understanding the kinematics of transtensional tectonics in northern Taiwan. Schematic 3D diagram of the fault zone in the central portion of the Shanchiao Fault, displaying regional subsurface geology and its relation to topographic features.

Structural Characterization of Lateral-grown 6H-SiC am-plane Seed Crystals by Hot Wall CVD Epitaxy

NASA Technical Reports Server (NTRS)

Goue, Ouloide Yannick; Raghothamachar, Balaji; Dudley, Michael; Trunek, Andrew J.; Neudeck, Philip G.; Woodworth, Andrew A.; Spry, David J.

2014-01-01

The performance of commercially available silicon carbide (SiC) power devices is limited due to inherently high density of screw dislocations (SD), which are necessary for maintaining polytype during boule growth and commercially viable growth rates. The NASA Glenn Research Center (GRC) has recently proposed a new bulk growth process based on axial fiber growth (parallel to the c-axis) followed by lateral expansion (perpendicular to the c-axis) for producing multi-faceted m-plane SiC boules that can potentially produce wafers with as few as one SD per wafer. In order to implement this novel growth technique, the lateral homoepitaxial growth expansion of a SiC fiber without introducing a significant number of additional defects is critical. Lateral expansion is being investigated by hot wall chemical vapor deposition (HWCVD) growth of 6H-SiC am-plane seed crystals (0.8mm x 0.5mm x 15mm) designed to replicate axially grown SiC single crystal fibers. The post-growth crystals exhibit hexagonal morphology with approximately 1500 m (1.5 mm) of total lateral expansion. Preliminary analysis by synchrotron white beam x-ray topography (SWBXT) confirms that the growth was homoepitaxial, matching the polytype of the respective underlying region of the seed crystal. Axial and transverse sections from the as grown crystal samples were characterized in detail by a combination of SWBXT, transmission electron microscopy (TEM) and Raman spectroscopy to map defect types and distribution. X-ray diffraction analysis indicates the seed crystal contained stacking disorders and this appears to have been reproduced in the lateral growth sections. Analysis of the relative intensity for folded transverse acoustic (FTA) and optical (FTO) modes on the Raman spectra indicate the existence of stacking faults. Further, the density of stacking faults is higher in the seed than in the grown crystal. Bundles of dislocations are observed propagating from the seed in m-axis lateral directions. Contrast extinction analysis of these dislocation lines reveals they are edge type basal plane dislocations that track the growth direction. Polytype phase transition and stacking faults were observed by high-resolution TEM (HRTEM), in agreement with SWBXT and Raman scattering.

Inner filter effect and the onset of concentration dependent red shift of synchronous fluorescence spectra.

PubMed

Tarai, Madhumita; Mishra, Ashok Kumar

2016-10-12

The phenomenon of concentration dependent red shift, often observed in synchronous fluorescence spectra (SFS) of monofluorophoric as well as multifluorophoric systems at high chromophore concentrations, is known to have good analytical advantages. This was previously understood in terms of large inner filter effect (IFE) through the introduction of a derived absorption spectral profile that closely corresponds to the SFS profile. Using representative monofluorophoric and multifluorophoric systems, it is now explained how the SF spectral maximum changes with concentration of the fluorophore. For dilute solutions of monofluorophores the maximum is unchanged as expected. It is shown here that the onset of red shift of SFS maximum of both the mono as well as the multifluorophoric systems must occur at the derived absorption spectral parameter value of 0.32 that corresponds to the absorbance value of 0.87. This value is unique irrespective of the nature of the fluorophore under study. For monofluorophoric systems, the wavelength of derived absorption spectral maximum and the wavelength of synchronous fluorescence spectral maximum closely correspond with each other in the entire concentration range. In contrast, for multifluorophoric systems like diesel and aqueous humic acid, large deviations were noted that could be explained as to be due to the presence of non-fluorescing chromophores in the system. This work bridges the entire fluorophore concentration range over which the red shift of SFS maximum sets in; and in the process it establishes the importance of the derived absorption spectral parameter in understanding the phenomenon of concentration dependent red shift of SFS maximum. Copyright © 2016 Elsevier B.V. All rights reserved.

The Superior Frontal Transsulcal Approach to the Anterior Ventricular System: Exploring the Sulcal and Subcortical Anatomy Using Anatomic Dissections and Diffusion Tensor Imaging Tractography.

PubMed

Koutsarnakis, Christos; Liakos, Faidon; Kalyvas, Aristotelis V; Skandalakis, Georgios P; Komaitis, Spyros; Christidi, Fotini; Karavasilis, Efstratios; Liouta, Evangelia; Stranjalis, George

2017-10-01

To explore the superior frontal sulcus (SFS) morphology, trajectory of the applied surgical corridor, and white matter bundles that are traversed during the superior frontal transsulcal transventricular approach. Twenty normal, adult, formalin-fixed cerebral hemispheres and 2 cadaveric heads were included in the study. The topography, morphology, and dimensions of the SFS were recorded in all specimens. Fourteen hemispheres were investigated through the fiber dissection technique whereas the remaining 6 were explored using coronal cuts. The cadaveric heads were used to perform the superior frontal transsulcal transventricular approach. In addition, 2 healthy volunteers underwent diffusion tensor imaging and tractography reconstruction studies. The SFS was interrupted in 40% of the specimens studied and was always parallel to the interhemispheric fissure. The proximal 5 cm of the SFS (starting from the SFS precentral sulcus meeting point) were found to overlie the anterior ventricular system in all hemispheres. Five discrete white matter layers were identified en route to the anterior ventricular system (i.e., the arcuate fibers, the frontal aslant tract, the external capsule, internal capsule, and the callosal radiations). Diffusion tensor imaging studies confirmed the fiber tract architecture. When feasible, the superior frontal transsulcal transventricular approach offers a safe and effective corridor to the anterior part of the lateral ventricle because it minimizes brain retraction and transgression and offers a wide and straightforward working corridor. Meticulous preoperative planning coupled with a sound microneurosurgical technique are prerequisites to perform the approach successfully. Copyright © 2017 Elsevier Inc. All rights reserved.

MiR-338-5p Promotes Inflammatory Response of Fibroblast-Like Synoviocytes in Rheumatoid Arthritis via Targeting SPRY1.

PubMed

Yang, Yan; Wang, Yanfeng; Liang, Qingwei; Yao, Lutian; Gu, Shizhong; Bai, Xizhuang

2017-08-01

Our purpose is to study the roles of microRNA-338-5p (miR-338-5p) on the proliferation, invasion, and inflammatory response of fibroblast-like synoviocytes (SFs) in rheumatoid arthritis patients by regulating SPRY1. The target relationship between miR-338-5p and SPRY1 was validated through luciferase reporter system. The expression of miR-338-5p and SPRY1 in synovial tissues and synovial cells were detected using RT-PCR and western blot. The mimics and inhibitors of miR-338-5p were transfected into SFs. MTT, Transwell, and ELISA assays were used to analyze cell proliferation, invasiveness, and the secreted extracellular pro-inflammatory cytokines (such as IL-1a, IL-6, COX2) levels of SFs. MiR-338-5p was highly expressed in rheumatoid arthritis tissues and cells, and directly down-regulated the expression of SPRY1 in the SFs of rheumatoid arthritis patients. Cell proliferation, invasiveness and the expression level of pro-inflammatory cytokines in synovial cells increased after the transfection of miR-338-5p mimics, while the proliferation, invasion and expression level of pro-inflammatory cytokines decreased after the transfection of miR-338-5p inhibitors. In conclusion,miR-338-5p promoted the proliferation, invasion and inflammatory reaction in SFs of rheumatoid arthritis by directly down-regulating SPRY1 expression. J. Cell. Biochem. 118: 2295-2301, 2017. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Imaging Subsurface Structure of Central Zagros Zone/Iran Using Ambient Noise Tomography

NASA Astrophysics Data System (ADS)

Vahidravesh, Shaghayegh; Pakzad, Mehrdad, ,, Dr.; Hatami, Mohammad Reza, ,, Dr.

2017-04-01

The Central Zagros zone, of west Iran & east Iraq, is surrounded by many active faults (including Main Zagros Reversed Fault, Main Recent Fault, High Zagros Fault, Zagros Fold, & Thrust Belt). Recent studies show that cross-correlation of a long-term ambient seismic noise data recorded in station-pair, includes important information regarding empirical Green's functions (EGFs) between stations. Hence, ambient seismic noise carries valuable information of the wave propagation path (which can be extracted). The 2D model of surface waves (Rayleigh & Love) velocities for the studied area is obtained by seismic ambient noise tomography (ANT) method. Throughout this research, we use continuous records of all three vertical, radial, and tangential components (obtained by rotation) recorded by IRSC (Iranian Seismological Center) and IIEES (International Institute of Earthquake Engineering) networks for this area of interest. The IRSC & IIEES networks are equipped by SS-1 kinematics and Guralp CMG-3T sensors respectively. Data of 20 stations were used for 12 months from 2014/Nov. to 2015/Nov. The performed data processing is similar to the one, put into words in detail by Bensen et al. (2007) including the processed daily base data. Mean, trend, and instrument response were removed and the data were decimated to 5 sps (sample per second) to reduce the amount of storage space and computational time required. We then applied merge to handle data gaps. One-bit time-domain normalization was also applied to suppress the influence of instrument irregularities and earthquake signals followed by spectral (frequency-domain) normalization between 0.05-0.2 Hz (period 5-20 sec). After cross-correlation (processing step), we perform rms stacking (new approach of stacking) to stack many cross-correlation functions based on the highest energy in a time interval which we accordingly anticipate to receive Rayleigh & Love waves fundamental modes. To evaluate quality of the stacking process stability quantitatively, we calculate signal-to-noise ratio (SNR), defined as a ratio of the peak amplitude within a time window to the root-mean-square of noise trailing the signal arrival window (Bensen et al., 2007), for each cross-correlation. The cross-correlated time-series is equivalent to the Green's functions between pairs of receivers. We then apply multiple phase-matched filter method of Herrmann (2005) to measure the correct group velocity dispersion of the interferometric surface waves. Eventually, we apply fast marching surface wave tomography (FMST), the iterative nonlinear inversion package developed by Rawlinson, 2005, to extract the velocity model of shallow structure in Central Zagros zone /Iran.

Growth of Fault-Cored Anticlines by Flexural Slip Folding: Analysis by Boundary Element Modeling

NASA Astrophysics Data System (ADS)

Johnson, Kaj M.

2018-03-01

Fault-related folds develop due to a combination of slip on the associated fault and distributed deformation off the fault. Under conditions that are sufficient for sedimentary layering to act as a stack of mechanical layers with contact slip, buckling can dramatically amplify the folding process. We develop boundary element models of fault-related folding of viscoelastic layers embedded with a reverse fault to examine the influence of such layering on fold growth. The strength of bedding contacts, the thickness and stiffness of layering, and fault geometry all contribute significantly to the resulting fold form. Frictional contact strength between layers controls the degree of localization of slip within fold limbs; high contact friction in relatively thin bedding tends to localize bedding slip within narrow kink bands on fold limbs, and low contact friction tends to produce widespread bedding slip and concentric fold form. Straight ramp faults tend to produce symmetric folds, whereas listric faults tend to produce asymmetric folds with short forelimbs and longer backlimbs. Fault-related buckle folds grow exponentially with time under steady loading rates. At early stages of folding, fold growth is largely attributed to slip on the fault, but as the fold increases amplitude, a larger portion of the fold growth is attributed to distributed slip across bedding contacts on the limbs of the fold. An important implication for geologic and earthquake studies is that not all surface deformation associated with blind reverse faults may be attributed to slip on the fault during earthquakes.

The School for Field Studies Centre for Coastal Studies: A Case Study of Sustainable Development Education in Mexico

ERIC Educational Resources Information Center

Farrell, T. A.; Ollervides, F.

2005-01-01

Purpose: To present the School for Field Studies-Centre for Coastal Studies (SFS-CCS) study abroad Mexico program, and consider its relative success as a sustainable development education program. Design/methodology/approach: The SFS-CCS academic model and results of its implementation are presented. Program success is discussed by applying…

Citrullinated Chemokines in Rheumatoid Arthritis

DTIC Science & Technology

2016-12-01

immunosorbent assay ( ELISA ) in RA and normal (NL) sera and in RA, osteoarthritis (OA), and other inflammatory rheumatic disease (OD) synovial fluids (SFs... ELISA ) Epithelial Neutrophil Chemoattractant Peptide-78 (ENA-78/CXCL5) Monocyte Chemoattractant Protein-1 (MCP-1/CCL2) Macrophage Inflammatory...Citrullinated chemokines are highly expressed in RA sera and SFs. Citrullinated chemokines were measured using an ELISA in which chemokines were captured on

Intelligent fault diagnosis of rolling bearings using an improved deep recurrent neural network

NASA Astrophysics Data System (ADS)

Jiang, Hongkai; Li, Xingqiu; Shao, Haidong; Zhao, Ke

2018-06-01

Traditional intelligent fault diagnosis methods for rolling bearings heavily depend on manual feature extraction and feature selection. For this purpose, an intelligent deep learning method, named the improved deep recurrent neural network (DRNN), is proposed in this paper. Firstly, frequency spectrum sequences are used as inputs to reduce the input size and ensure good robustness. Secondly, DRNN is constructed by the stacks of the recurrent hidden layer to automatically extract the features from the input spectrum sequences. Thirdly, an adaptive learning rate is adopted to improve the training performance of the constructed DRNN. The proposed method is verified with experimental rolling bearing data, and the results confirm that the proposed method is more effective than traditional intelligent fault diagnosis methods.

Controlling the cell adhesion property of silk films by graft polymerization.

PubMed

Dhyani, Vartika; Singh, Neetu

2014-04-09

We report here a graft polymerization method to improve the cell adhesion property of Bombyx mori silk fibroin films. B. mori silk has evolved as a promising material for tissue engineering because of its biocompatibility and biodegradability. However, silk's hydrophobic character makes cell adhesion and proliferation difficult. Also, the lack of sufficient reactive amino acid residues makes biofunctionalization via chemical modification challenging. Our study describes a simple method that provides increased chemical handles for tuning of the surface chemistry of regenerated silk films (SFs), thus allowing manipulation of their bioactivity. By grafting pAAc and pHEMA via plasma etching, we have increased carboxylic acid and hydroxyl groups on silk, respectively. These modifications allowed us to tune the hydrophilicity of SFs and provide functional groups for bioconjugation. Our strategy also allowed us to develop silk-based surface coatings, where spatial control over cell adhesion can be achieved. This control over cell adhesion in a particular region of the SFs is difficult to obtain via existing methods of modifying the silk fibroin instead of the SF surface. Thus, our strategy will be a valuable addition to the toolkit of biofunctionalization for enhancing SFs' tissue engineering applications.

Reversing the mere exposure effect in spider fearfuls: Preliminary evidence of sensitization.

PubMed

Becker, Eni S; Rinck, Mike

2016-12-01

A mere exposure effect (MEE) is said to occur when individuals' liking of a suboptimally and repeatedly presented stimulus increases compared to never-presented stimuli, while they are unable to indicate which stimuli were previously presented and which were not. In two experiments, we used the MEE to study automatic evaluative processes in highly spider-fearful individuals (SFs). Pictures of spiders and butterflies were repeatedly presented suboptimally to SFs and to non-anxious controls (NACs). In Experiment 1, both groups showed the MEE for butterflies, preferring previously presented butterfly pictures over new ones. For spider pictures, only NACs showed an MEE, whereas SFs showed no preference. Experiment 2 involved a more unpleasant presentation situation, because for each picture, participants had the difficult task to indicate what had been presented to them. This led to a reversed MEE for spiders in SFs: They preferred new spider pictures over previously presented ones. In both experiments, no evidence was observed for the ability to differentiate between old an new pictures. The results are tentatively explained within Zajonc' theory of the MEE, and they are related to the concept of sensitization in anxiety disorders. Copyright © 2016 Elsevier B.V. All rights reserved.

INTERPRETATION OF THE STRUCTURE FUNCTION OF ROTATION MEASURE IN THE INTERSTELLAR MEDIUM

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

Xu, Siyao; Zhang, Bing, E-mail: syxu@pku.edu.cn, E-mail: zhang@physics.unlv.edu

2016-06-20

The observed structure function (SF) of rotation measure (RM) varies as a broken power-law function of angular scales. The systematic shallowness of its spectral slope is inconsistent with the standard Kolmogorov scaling. This motivates us to examine the statistical analysis on RM fluctuations. The correlations of RM constructed by Lazarian and Pogosyan are demonstrated to be adequate in explaining the observed features of RM SFs through a direct comparison between the theoretically obtained and observationally measured SF results. By segregating the density and magnetic field fluctuations and adopting arbitrary indices for their respective power spectra, we find that when themore » SFs of RM and emission measure have a similar form over the same range of angular scales, the statistics of the RM fluctuations reflect the properties of density fluctuations. RM SFs can be used to evaluate the mean magnetic field along the line of sight, but cannot serve as an informative source on the properties of turbulent magnetic field in the interstellar medium. We identify the spectral break of RM SFs as the inner scale of a shallow spectrum of electron density fluctuations, which characterizes the typical size of discrete electron density structures in the observed region.« less

Non-Mutually Exclusive Deep Neural Network Classifier for Combined Modes of Bearing Fault Diagnosis.

PubMed

Duong, Bach Phi; Kim, Jong-Myon

2018-04-07

The simultaneous occurrence of various types of defects in bearings makes their diagnosis more challenging owing to the resultant complexity of the constituent parts of the acoustic emission (AE) signals. To address this issue, a new approach is proposed in this paper for the detection of multiple combined faults in bearings. The proposed methodology uses a deep neural network (DNN) architecture to effectively diagnose the combined defects. The DNN structure is based on the stacked denoising autoencoder non-mutually exclusive classifier (NMEC) method for combined modes. The NMEC-DNN is trained using data for a single fault and it classifies both single faults and multiple combined faults. The results of experiments conducted on AE data collected through an experimental test-bed demonstrate that the DNN achieves good classification performance with a maximum accuracy of 95%. The proposed method is compared with a multi-class classifier based on support vector machines (SVMs). The NMEC-DNN yields better diagnostic performance in comparison to the multi-class classifier based on SVM. The NMEC-DNN reduces the number of necessary data collections and improves the bearing fault diagnosis performance.

Quantification of Honeycomb Number-Type Stacking Faults: Application to Na 3Ni 2BiO 6 Cathodes for Na-Ion Batteries

DOE PAGES

Liu, Jue; Yin, Liang; Wu, Lijun; ...

2016-08-17

Here, ordered and disordered samples of honeycomb-lattice Na 3Ni 2BiO 6 were investigated as cathodes for Na-ion batteries, and it was determined that the ordered sample exhibits better electrochemical performance, with a specific capacity of 104 mA h/g delivered at plateaus of 3.5 and 3.2 V (vs Na +/Na) with minimal capacity fade during extended cycling. Advanced imaging and diffraction investigations showed that the primary difference between the ordered and disordered samples is the amount of number-type stacking faults associated with the three possible centering choices for each honeycomb layer. A labeling scheme for assigning the number position of honeycombmore » layers is described, and it is shown that the translational shift vectors between layers provide the simplest method for classifying different repeat patterns. We demonstrate that the number position of honeycomb layers can be directly determined in high-angle annular dark-field scanning transmission electron microscopy (STEM-HAADF) imaging studies. By the use of fault models derived from STEM studies, it is shown that both the sharp, symmetric subcell peaks and the broad, asymmetric superstructure peaks in powder diffraction patterns can be quantitatively modeled. About 20% of the layers in the ordered monoclinic sample are faulted in a nonrandom manner, while the disordered sample stacking is not fully random but instead contains about 4% monoclinic order. Furthermore, it is shown that the ordered sample has a series of higher-order superstructure peaks associated with 6-, 9-, 12-, and 15-layer periods whose existence is transiently driven by the presence of long-range strain that is an inherent consequence of the synthesis mechanism revealed through the present diffraction and imaging studies. This strain is closely associated with a monoclinic shear that can be directly calculated from cell lattice parameters and is strongly correlated with the degree of ordering in the samples. The present results are broadly applicable to other honeycomb-lattice systems, including Li 2MnO 3 and related Li-excess cathode compositions.« less

Quantification of Honeycomb Number-Type Stacking Faults: Application to Na 3Ni 2BiO 6 Cathodes for Na-Ion Batteries

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

Liu, Jue; Yin, Liang; Wu, Lijun

Here, ordered and disordered samples of honeycomb-lattice Na 3Ni 2BiO 6 were investigated as cathodes for Na-ion batteries, and it was determined that the ordered sample exhibits better electrochemical performance, with a specific capacity of 104 mA h/g delivered at plateaus of 3.5 and 3.2 V (vs Na +/Na) with minimal capacity fade during extended cycling. Advanced imaging and diffraction investigations showed that the primary difference between the ordered and disordered samples is the amount of number-type stacking faults associated with the three possible centering choices for each honeycomb layer. A labeling scheme for assigning the number position of honeycombmore » layers is described, and it is shown that the translational shift vectors between layers provide the simplest method for classifying different repeat patterns. We demonstrate that the number position of honeycomb layers can be directly determined in high-angle annular dark-field scanning transmission electron microscopy (STEM-HAADF) imaging studies. By the use of fault models derived from STEM studies, it is shown that both the sharp, symmetric subcell peaks and the broad, asymmetric superstructure peaks in powder diffraction patterns can be quantitatively modeled. About 20% of the layers in the ordered monoclinic sample are faulted in a nonrandom manner, while the disordered sample stacking is not fully random but instead contains about 4% monoclinic order. Furthermore, it is shown that the ordered sample has a series of higher-order superstructure peaks associated with 6-, 9-, 12-, and 15-layer periods whose existence is transiently driven by the presence of long-range strain that is an inherent consequence of the synthesis mechanism revealed through the present diffraction and imaging studies. This strain is closely associated with a monoclinic shear that can be directly calculated from cell lattice parameters and is strongly correlated with the degree of ordering in the samples. The present results are broadly applicable to other honeycomb-lattice systems, including Li 2MnO 3 and related Li-excess cathode compositions.« less

Multimillion-Year Evolution of a Sublacustrine Fan System: Source-to-Sink History of the South Rukuru and Ruhuhu River Drainages, Lake Malawi (Nyasa) Rift, East Africa

NASA Astrophysics Data System (ADS)

Scholz, C. A.; Shillington, D. J.; McCartney, T.

2017-12-01

The development of long-lived continental rifts can be markedly influenced by surface processes, including sediment input and footwall erosion. This occurs through modifying crustal thickness and loading, as well as by influencing behaviors of individual faults. Here we report on the evolution of a long-lived system of sublacustrine fans in the Central Basin of the Lake Malawi (Nyasa) rift, East Africa. An extensive suite of crustal-scale seismic reflection data was acquired in 2015 as part of the SEGMeNT project, which resulted superb images of the syn-rift section. These data are augmented by legacy single-channel high resolution reflection data that provide detailed information on facies geometries and stacking architecture of the deep-water fan systems. The ages and lithologic character of the stratal surfaces observed in the reflection seismic data are constrained by ties to the 2005 scientific drill cores acquired during the Lake Malawi Scientific Drilling Project. The South Rukuru River is an eastward flowing regional drainage (11,900 km2) that enters Lake Malawi through an incision in the western border fault of the rift's Central Basin. The Rukuru River drainage (17,230 km2) enters the eastern side of the lake at an accommodation zone margin between the North and Central Basins. Both are antecedent drainages that prior to rifting may have delivered sediments to the Indian Ocean continental margin. Both systems now deliver sediment to a highly confined and focused depocenter in the Central Basin. The complex interplay of extension, mainly on the border fault systems, and high-frequency and high-amplitude lake levels shifts, has led to unique coarse sediment facies stacking architectures, with vertical stacking controlled by hydroclimate, and lateral positioning localized by fault behavior. Focused deep-water (700 m) deposition has resulted in overpressure within the sedimentary section in the localized depocenter, producing dramatic mud diapirs. Long-lived channel-levee systems observed in the seismic data demonstrate that both drainages systems have been operative for the past several million years.

Crystals and Crystals: On the Mythology of Magmatic Processes

NASA Astrophysics Data System (ADS)

Marsh, B.

2008-12-01

The intimate records of the deep functioning of magmatic systems reside in the temporal and spatial records of magma flux, composition and crystal load. The records for a single system are piecemeal: Plutons show good spatial records, but poor temporal records. Volcanoes give through lava sequences good temporal records, but no spatial context. Because of this dichotomy, two, almost mutually exclusive, branches of magmatology have developed, whereas in Nature there is only a single process. The processes envisioned in these schools necessary to deliver the end rock record are distinct. It is our tools and historic perspectives that have steered the science, not the subject itself. Due to this approach an almost mythical conception of how magmas function has become commonplace. The circumvention of this dilemma rests in carefully evaluating the records on hand in the light of a broad understanding of the fundamental mechanics of how magma lives and dies. It is these basic principles that promise to unify plutonic and volcanic evidence to reveal the full nature of magmatism on all scales. The two most basic features of all magmatic processes are the universal presence of solidification fronts and the presence or absence of a crystal cargo. Almost without exception (e.g., shallow pressure quenching) all first generation crystals grow in marginal solidification fronts (SFs) bordering all magmas. The package of isotherms bounded by the liquidus and solidus define SFs, which propagate in response to the rate of cooling. All physical and chemical processes occurring within SFs compete with the advancement or retreat of solidification. SFs are governed by crystallinity regimes: Suspension Zone (<25 % xtals), Capture Front (~25 %), Mush Zone (25-55%), Rigidity Front (~55%; Critical Crystallinity), and Rigid Crust Zone (>55% xtals). Magmas are laced with nuclei that multiply and grow when overtaken. Crystal growth rates are bounded; tiny crystals reside at the front of SFs and big crystals at the rear. It is unlikely that crystals can ever escape SFs once beyond the Capture Front, and crystals that do fall (singly or in plumes) from the leading edge of SFs may suffer resorbtion upon transit through deeper, hotter magma. Above all, differentiation is severely limited as there is no crystallization in the central, hottest part of the body, and the crystals that are available for separation are tiny and have little effect on melt composition. Recall, ~50% loss of olivine enhances silica by 5%, but this places this magma at Critical Crystallinity. Phenocrysts come from disrupted SFs and are essential to read as such; they may come from a wide range of P's and T's. Ragged old crystals rolling about for untold numbers of flushing times record specious process times; telling more about transport and crystal-chemical noise in the system than the life of typical, first generation crystallization processes. Yet, noise is a system characteristic as is exemplified by the disharmonious isotope heritage of neighbor phenocrysts. Differentiation mainly comes from the sudden loss of a dynamically entrained load of crystals of diverse heritage equilibrating with the 'carrier' magma. Big crystals carrying fluid inclusions, for example, come from deep within SFs where residual melt is low and enriched and not from the central, early, primitive magma. All systems show these characteristics. They are exceedingly important to recognize and to put in the context of the power, longevity, and geometry of the system. Not recognizing them for what they are and what they are not recording only builds mythological magmatic systems.

A Multi-Scale Simulation Approach to Deformation Mechanism Prediction in Superalloys

NASA Astrophysics Data System (ADS)

Lv, Duchao

High-temperature alloys in general and superalloys in particular are crucial for manufacturing gas turbines for aircraft and power generators. Among the superalloy family, the Ni-based superalloys are the most frequently used due to their excellent strength-to-weight ratio. Their strength results from their ordered intermetallic phases (precipitates), which are relatively stable at elevated temperatures. The major deformation processes of Ni-based and Co-based superalloys are precipitate shearing and Orowan looping. The key to developing physics-based models of creep and yield strength of aircraft engine components is to understand the two deformation mechanisms mentioned above. Recent discoveries of novel dislocation structures and stacking-fault configurations in deformed superalloys implied that the traditional anti-phase boundary (APB)-type, yield-strength model is unable to explain the shearing mechanisms of the gamma" phase in 718-type (Ni-based) superalloys. While the onset of plastic deformation is still related to the formation of highly-energetic stacking faults, the physics-based yield strength prediction requires that the novel dislocation structure and the correct intermediate stacking-fault be considered in the mathematical expressions. In order to obtain the dependence of deformation mechanisms on a materials chemical composition, the relationship between the generalized-stacking-fault (GSF) surface and its chemical composition must be understood. For some deformation scenarios in which one precipitate phase and one mechanism are dominant (e.g., Orowan looping), their use in industry requires a fast-acting model that can capture the features of the deformation (e.g., the volume fraction of the sheared matrix) and reduces lost time by not repeating fine-scale simulations. The objective of this thesis was to develop a multi-scale, physics-based simulation approach that can be used to optimize existing superalloys and to accelerate the design of new alloys. In particular, density functional theory (DFT) was used to calculate the GSF surface of the gamma" phase in the 718-type superalloy. In addition, the deformation pathways inside the gamma" particles were identified, and the dislocation emissions were predicted. Many novel dislocation sources inside the gamma" particles were simulated by using the phase-field method, which predicts and explains the dislocation configurations that appear during the deformation process or that are left as debris. Moreover, based on the stacking-fault energies in the available literature, we calculated the dependence of the chemical composition of the GSF surface of the gamma' phase in Co-based, CoNi-based, and Ni-based superalloys. The phase-field simulation, which used the GSF surfaces as inputs, explained the relationship between the shearing mechanism and chemical composition. Thus, two fast-acting models were developed by using the modified analytic expressions of particle shearing and Orowan looping. These expressions were calibrated by using the GSF surface and the simulation of the phase-field, and they were used to predict the yield strength of 718-type superalloy and the localized creep features of the gamma/gamma' microstructure. The fast-acting yield models were trained by the available experimental results. Since the chemical re-ordering and the segregation effects are not considered in this work, the fast-acting models are designed to the predict mechanical behaviors at the room temperature and the intermediate temperature.

Microstructural study of Mg-doped p-type GaN: Correlation between high-resolution electron microscopy and Raman spectroscopy

NASA Astrophysics Data System (ADS)

Tsen, S.-C. Y.; Smith, David J.; Tsen, K. T.; Kim, W.; Morkoç, H.

1997-12-01

A series of Mg-doped GaN films (˜1-1.3 μm) grown by reactive molecular beam epitaxy at substrate temperatures of 750 and 800 °C has been studied by high-resolution electron microscopy (HREM) and Raman spectroscopy. Stacking defects parallel to the substrate surface were observed in samples grown on sapphire substrates at 750 °C with AlN buffer layers (60-70 nm) at low Mg concentration. A transition region with mixed zinc-blende cubic (c) and wurtzite hexagonal (h) phases having the relative orientations of (111)c//(00.1)h and (11¯0)c//(10.0)h was observed for increased Mg concentration. The top surfaces of highly doped samples were rough and assumed a completely zinc-blende phase with some inclined stacking faults. Samples grown with a Mg cell temperature of 350 °C and high doping levels were highly disordered with many small crystals having inclined stacking faults, microtwins, and defective wurtzite and zinc-blende phases. Correlation between HREM and Raman scattering results points towards the presence of compressive lattice distortion along the growth direction which might be attributable to structural defects. The films grown at 800 °C had better quality with less observable defects and less yellow luminescence than samples grown at 750 °C.

Thermoelectric Properties and Microstructure of Ca3 Co 4 O 9 thin films on SrTiO3 and Al2 O 3 Substrates

NASA Astrophysics Data System (ADS)

Paulauskas, T.; Qiao, Q.; Gulec, A.; Klie, R. F.; Ozdemir, M.; Boyraz, C.; Mazumdar, D.; Gupta, A.

2011-03-01

Ca 3 Co 4 O9 (CCO), a misfit layered structure exhibiting large Seebeck coefficient at temperatures up to 1000K has attracted increasing attention as a novel high-temperature thermoelectric material. In this work, we investigate CCO thin films grown on SrTi O3 (001) and Al 2 O3 (0001) using pulsed laser deposition. Quality of the thin films was examined using high-resolution transmission electron microscopy and thermoelectric transport measurements. HRTEM images show incommensurate stacks of Cd I2 -type Co O2 layer alternating with rock-salt-type Ca 2 Co O3 layer along the c-axis. Perovskite buffer layer about 10nm thick was found present between CCO and SrTi O3 accompanied by higher density of stacking faults. The CCO grown on Al 2 O3 exhibited numerous misoriented grains and presence of Ca x Co O2 phase. Seebeck coefficient measurements yield an improvement for both samples compared to the bulk value. We suggest that thermoelectric properties of CCO increase due to additional phonon scattering at the stacking faults as well as at the film surfaces/interfaces. This research was supported by the US Army Research Office (W911NF-10-1-0147) and the Sivananthan Undergraduate Research Fellowship.

TLR3 Ligand Poly(I:C) Exerts Distinct Actions in Synovial Fibroblasts When Delivered by Extracellular Vesicles

PubMed Central

Frank-Bertoncelj, Mojca; Pisetsky, David S.; Kolling, Christoph; Michel, Beat A.; Gay, Renate E.; Jüngel, Astrid; Gay, Steffen

2018-01-01

Extracellular vesicles (EV) can modulate the responses of cells to toll-like receptor (TLR) ligation; conversely, TLR ligands such as double-stranded RNA (dsRNA) can enhance the release of EV and influence of the composition and functions of EV cargos. Inflamed synovial joints in rheumatoid arthritis (RA) are rich in EV and extracellular RNA; besides, RNA released from necrotic synovial fluid cells can activate the TLR3 signaling in synovial fibroblasts (SFs) from patients with RA. Since EV occur prominently in synovial joints in RA and may contribute to the pathogenesis, we questioned whether EV can interact with dsRNA, a TLR3 ligand, and modify its actions in arthritis. We have used as model the effects on RA SFs, of EV released from monocyte U937 cells and peripheral blood mononuclear cells upon stimulation with Poly(I:C), a synthetic analog of dsRNA. We show that EV released from unstimulated cells and Poly(I:C)-stimulated U937 cells [Poly(I:C) EV] differ in size but bind similar amounts of Annexin V and express comparable levels of MAC-1, the receptor for dsRNA, on the vesicular membranes. Specifically, Poly(I:C) EV contain or associate with Poly(I:C) and at least partially protect Poly(I:C) from RNAse III degradation. Poly(I:C) EV shuttle Poly(I:C) to SFs and reproduce the proinflammatory and antiviral gene responses of SFs to direct stimulation with Poly(I:C). Poly(I:C) EV, however, halt the death receptor-induced apoptosis in SFs, thereby inverting the proapoptotic nature of Poly(I:C). These prosurvival effects sharply contrast with the high toxicity of cationic liposome-delivered Poly(I:C) and may reflect the route of Poly(I:C) delivery via EV or the fine-tuning of Poly(I:C) actions by molecular cargo in EV. The demonstration that EV may safeguard extracellular dsRNA and allow dsRNA to exert antiapoptotic effects on SFs highlights the potential of EV to amplify the pathogenicity of dsRNA in arthritis beyond inflammation (by concurrently enhancing the expansion of the invasive synovial stroma). PMID:29434584

Dielectric relaxation and electronic structure of double perovskite Sr{sub 2}FeSbO{sub 6}

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

Dutta, Alo; Sinha, T. P.; Shannigrahi, Santiranjan

2008-09-15

The dielectric property and the electronic structure of a double perovskite, Sr{sub 2}FeSbO{sub 6} (SFS) synthesized by solid state reaction technique are investigated. The x-ray diffraction of the sample taken at room temperature shows cubic phase. The scanning electron micrograph of the sample also confirms the formation of the single phase of the material. We have measured the capacitance and conductance of SFS in a frequency range from 50 Hz to 1 MHz and in a temperature range from 163 to 463 K. A relaxation is observed in the entire temperature range as a gradual decrease in {epsilon}{sup '}({omega}) andmore » as a broad peak in {epsilon}{sup ''}({omega}). The frequency dependent electrical data are analyzed in the framework of conductivity and electric modulus formalisms. The frequencies corresponding to the maxima of the imaginary electric modulus at various temperatures are found to obey an Arrhenius law with an activation energy of 0.74 eV. The Cole-Cole model is used to study the dielectric relaxation of SFS. The scaling behavior of imaginary part of electric modulus suggests that the relaxation describes the same mechanism at various temperatures. The frequency dependent conductivity spectra follow the universal power law. The electronic structure of the SFS is studied by x-ray photoemission spectroscopy (XPS). Its valence band consists mainly of the oxygen 2p-states hybridized with the Fe 3d-states. The XPS spectra are investigated by the first principles full potential linearized augmented plane wave method. The angular momentum projected total and partial density of states obtained from first principles calculation are used to analyze the XPS results of the sample. The calculated electronic structures of SFS are qualitatively similar to those of the XPS spectra in terms of spectral features, energy positions, and relative intensities. The electronic structure calculation reveals that the electrical properties of SFS are dominated by the interaction between transition-metal and oxygen ions.« less

Model-based development of a fault signature matrix to improve solid oxide fuel cell systems on-site diagnosis

NASA Astrophysics Data System (ADS)

Polverino, Pierpaolo; Pianese, Cesare; Sorrentino, Marco; Marra, Dario

2015-04-01

The paper focuses on the design of a procedure for the development of an on-field diagnostic algorithm for solid oxide fuel cell (SOFC) systems. The diagnosis design phase relies on an in-deep analysis of the mutual interactions among all system components by exploiting the physical knowledge of the SOFC system as a whole. This phase consists of the Fault Tree Analysis (FTA), which identifies the correlations among possible faults and their corresponding symptoms at system components level. The main outcome of the FTA is an inferential isolation tool (Fault Signature Matrix - FSM), which univocally links the faults to the symptoms detected during the system monitoring. In this work the FTA is considered as a starting point to develop an improved FSM. Making use of a model-based investigation, a fault-to-symptoms dependency study is performed. To this purpose a dynamic model, previously developed by the authors, is exploited to simulate the system under faulty conditions. Five faults are simulated, one for the stack and four occurring at BOP level. Moreover, the robustness of the FSM design is increased by exploiting symptom thresholds defined for the investigation of the quantitative effects of the simulated faults on the affected variables.

A Hybrid Feature Model and Deep-Learning-Based Bearing Fault Diagnosis

PubMed Central

Sohaib, Muhammad; Kim, Cheol-Hong; Kim, Jong-Myon

2017-01-01

Bearing fault diagnosis is imperative for the maintenance, reliability, and durability of rotary machines. It can reduce economical losses by eliminating unexpected downtime in industry due to failure of rotary machines. Though widely investigated in the past couple of decades, continued advancement is still desirable to improve upon existing fault diagnosis techniques. Vibration acceleration signals collected from machine bearings exhibit nonstationary behavior due to variable working conditions and multiple fault severities. In the current work, a two-layered bearing fault diagnosis scheme is proposed for the identification of fault pattern and crack size for a given fault type. A hybrid feature pool is used in combination with sparse stacked autoencoder (SAE)-based deep neural networks (DNNs) to perform effective diagnosis of bearing faults of multiple severities. The hybrid feature pool can extract more discriminating information from the raw vibration signals, to overcome the nonstationary behavior of the signals caused by multiple crack sizes. More discriminating information helps the subsequent classifier to effectively classify data into the respective classes. The results indicate that the proposed scheme provides satisfactory performance in diagnosing bearing defects of multiple severities. Moreover, the results also demonstrate that the proposed model outperforms other state-of-the-art algorithms, i.e., support vector machines (SVMs) and backpropagation neural networks (BPNNs). PMID:29232908

Pressure and inflammatory stimulation induced increase of cadherin-11 is mediated by PI3K/Akt pathway in synovial fibroblasts from temporomandibular joint.

PubMed

Wu, M; Xu, T; Zhou, Y; Lu, H; Gu, Z

2013-10-01

The goal of the study was to investigate the expression of cadherin-11 in synovial fibroblasts (SFs) under mechanical or inflammatory stimuli, and its potential relationship with PI3K/Akt signaling pathway. SFs separated from rat temporomandibular joint (TMJ) were treated with hydrostatic pressures (HP) of 30, 60, 90, and 120 kPa, as well as tumor necrosis factor-α (TNF-α) for 12, 24, 48, and 72 h. The location of cadherin-11 was observed by immunofluorescence microscopy, and its expression was detected by real-time PCR and Western blot. We also studied the activation of PI3K/Akt signaling pathway in SFs with HP or TNF-α stimulation. The results showed that increased expression of cadherin-11 could be found in the cell-cell contact site of SFs in response to HP and inflammatory stimulation. The mRNA and protein expression of cadherin-11 was positively correlated with the intensity of HP and the duration time of TNF-α treatment. Increased expression of vascular endothelial growth factor-D (VEGF-D) and activation of Akt were also found. Treatment with PI3K inhibitor LY294002 attenuated the pressure or inflammatory cytokine induction increases of cadherin-11, VEGF-D, and FGF-2 both in mRNA and protein levels. These findings suggest that cadherin-11 may play important roles in SFs following exposure to mechanical loading and inflammatory stimulation. In addition, PI3K/Akt pathway was associated with pressure or inflammation-induced cadherin-11 expression, which may involve in the pathogenesis of temporomandibular diseases. Copyright © 2013 Osteoarthritis Research Society International. Published by Elsevier Ltd. All rights reserved.

Object relations, reality testing, and social withdrawal in schizophrenia and bipolar disorder.

PubMed

Hansen, Charlotte Fredslund; Torgalsbøen, Anne-Kari; Røssberg, Jan Ivar; Romm, Kristin Lie; Andreassen, Ole Andreas; Bell, Morris D; Melle, Ingrid

2013-03-01

In this study, we investigated the relationships between observed social withdrawal (Positive and Negative Syndrome Scale [PANSS] Passive Social Withdrawal and PANSS Active Social Avoidance), subjectively experienced social withdrawal (Social Functioning Scale [SFS] Withdrawal and SFS Interpersonal Behavior), and their associations to the underlying psychological patterns of Object Relations and Reality Testing. Patients with schizophrenia (n = 55) and bipolar disorder (n = 51) from the ongoing Thematically Organized Psychosis project, Oslo University Hospital, Norway, were evaluated using the Bell Object Relations and Reality Testing Inventory, the PANSS, and the SFS. Object relations and reality testing subscales related differentially to PANSS Passive Social Withdrawal and PANSS Active Social Avoidance. These two measures, together with the level of alienation, explained a significant amount of variance in self-experienced social dysfunction. Findings reveal the multidimensional nature of social dysfunction in severe mental disorders.

Investigation of the Microstructure Evolution in a Fe-17Mn-1.5Al-0.3C Steel via In Situ Synchrotron X-ray Diffraction during a Tensile Test

PubMed Central

Song, Wenwen; Bleck, Wolfgang

2017-01-01

The quantitative characterization of the microstructure evolution in high-Mn steel during deformation is of great importance to understanding its strain-hardening behavior. In the current study, in situ high-energy synchrotron X-ray diffraction was employed to characterize the microstructure evolution in a Fe-17Mn-1.5Al-0.3C steel during a tensile test. The microstructure at different engineering strain levels—in terms of ε-martensite and α’-martensite volume fractions, the stacking fault probability, and the twin fault probability—was analyzed by the Rietveld refinement method. The Fe-17Mn-1.5Al-0.3C steel exhibits a high ultimate tensile strength with a superior uniform elongation and a high strain-hardening rate. The remaining high strain-hardening rate at the strain level about 0.025 to 0.35 results from ε-martensite dominant transformation-induced-plasticity (TRIP) effect. The increase in the strain-hardening rate at the strain level around 0.35 to 0.43 is attributed to the synergetic α’-martensite dominant TRIP and twinning-induced-plasticity (TWIP) effects. An evaluation of the stacking fault energy (SFE) of the Fe-17Mn-1.5Al-0.3C steel by the synchrotron measurements shows good agreement with the thermodynamic calculation of the SFE. PMID:28946692

Investigation of the Microstructure Evolution in a Fe-17Mn-1.5Al-0.3C Steel via In Situ Synchrotron X-ray Diffraction during a Tensile Test.

PubMed

Ma, Yan; Song, Wenwen; Bleck, Wolfgang

2017-09-25

The quantitative characterization of the microstructure evolution in high-Mn steel during deformation is of great importance to understanding its strain-hardening behavior. In the current study, in situ high-energy synchrotron X-ray diffraction was employed to characterize the microstructure evolution in a Fe-17Mn-1.5Al-0.3C steel during a tensile test. The microstructure at different engineering strain levels-in terms of ε-martensite and α'-martensite volume fractions, the stacking fault probability, and the twin fault probability-was analyzed by the Rietveld refinement method. The Fe-17Mn-1.5Al-0.3C steel exhibits a high ultimate tensile strength with a superior uniform elongation and a high strain-hardening rate. The remaining high strain-hardening rate at the strain level about 0.025 to 0.35 results from ε-martensite dominant transformation-induced-plasticity (TRIP) effect. The increase in the strain-hardening rate at the strain level around 0.35 to 0.43 is attributed to the synergetic α'-martensite dominant TRIP and twinning-induced-plasticity (TWIP) effects. An evaluation of the stacking fault energy (SFE) of the Fe-17Mn-1.5Al-0.3C steel by the synchrotron measurements shows good agreement with the thermodynamic calculation of the SFE.

The core structure and recombination energy of a copper screw dislocation: a Peierls study

NASA Astrophysics Data System (ADS)

Szajewski, B. A.; Hunter, A.; Beyerlein, I. J.

2017-09-01

The recombination process of dislocations is central to cross-slip, and transmission through ?3 grain boundaries among other fundamental plastic deformation processes. Despite its importance, a detailed mechanistic understanding remains lacking. We apply a continuous dislocation model, inspired by Peierls and Nabarro, complete with an ab-initio computed ?-surface and continuous units of infinitesimal dislocation slip, towards computing the stress-dependent recombination path of both an isotropic and anisotropic Cu screw dislocation. Under no applied stress, our model reproduces the stacking fault width between Shockley partial dislocations as predicted by discrete linear elasticity. Upon application of a compressive Escaig stress, the two partial dislocations coalesce to a separation of ??. Upon increased loading the edge components of each partial dislocation recede, leaving behind a spread Peierls screw dislocation, indicating the recombined state. We demonstrate that the critical stress required to achieve the recombined state is independent of the shear modulus. Rather the critical recombination stress depends on an energy difference between an unstable fault energy (?) and the intrinsic stacking fault energy (?-?). We report recombination energies of ?W = 0.168 eV/Å and ?W = 0.084 eV/Å, respectively, for the Cu screw dislocation within isotropic and anisotropic media. We develop an analytic model which provides insight into our simulation results which compare favourably with other (similar) models.

Development of an automatic subsea blowout preventer stack control system using PLC based SCADA.

PubMed

Cai, Baoping; Liu, Yonghong; Liu, Zengkai; Wang, Fei; Tian, Xiaojie; Zhang, Yanzhen

2012-01-01

An extremely reliable remote control system for subsea blowout preventer stack is developed based on the off-the-shelf triple modular redundancy system. To meet a high reliability requirement, various redundancy techniques such as controller redundancy, bus redundancy and network redundancy are used to design the system hardware architecture. The control logic, human-machine interface graphical design and redundant databases are developed by using the off-the-shelf software. A series of experiments were performed in laboratory to test the subsea blowout preventer stack control system. The results showed that the tested subsea blowout preventer functions could be executed successfully. For the faults of programmable logic controllers, discrete input groups and analog input groups, the control system could give correct alarms in the human-machine interface. Copyright © 2011 ISA. Published by Elsevier Ltd. All rights reserved.

Automatic Fault Characterization via Abnormality-Enhanced Classification

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

Bronevetsky, G; Laguna, I; de Supinski, B R

Enterprise and high-performance computing systems are growing extremely large and complex, employing hundreds to hundreds of thousands of processors and software/hardware stacks built by many people across many organizations. As the growing scale of these machines increases the frequency of faults, system complexity makes these faults difficult to detect and to diagnose. Current system management techniques, which focus primarily on efficient data access and query mechanisms, require system administrators to examine the behavior of various system services manually. Growing system complexity is making this manual process unmanageable: administrators require more effective management tools that can detect faults and help tomore » identify their root causes. System administrators need timely notification when a fault is manifested that includes the type of fault, the time period in which it occurred and the processor on which it originated. Statistical modeling approaches can accurately characterize system behavior. However, the complex effects of system faults make these tools difficult to apply effectively. This paper investigates the application of classification and clustering algorithms to fault detection and characterization. We show experimentally that naively applying these methods achieves poor accuracy. Further, we design novel techniques that combine classification algorithms with information on the abnormality of application behavior to improve detection and characterization accuracy. Our experiments demonstrate that these techniques can detect and characterize faults with 65% accuracy, compared to just 5% accuracy for naive approaches.« less

Statistical Fine Structure in Inhomogeneously Broadened Absorption Lines in Solids.

DTIC Science & Technology

1987-12-22

the inhomogeneously broadened zero-phonon SijSo (0-0) absorption of pentacene molecules in crystals of p-terphenyl at liquid helium temperatures. SFS...structure (SFS) in the inhomogeneously broadened zero-phonon S, +- So (0-0) absorption of pentacene molecules in crystals of p-terphenyl at liquid helium...tile large multiplicity of local environments. Inhomogeneously broadened absorption lines are usually treated as smooth, Gaussian profiles. In recent

Synchronous fluorescence spectroscopy of colon neoplasia

NASA Astrophysics Data System (ADS)

Borisova, Ekaterina; Semyachkina-Glushkovskaya, Oxana; Genova, Tsanislava; Penkov, Nikolay; Terziev, Ivan; Vladimirov, Borislav; Avramov, Latchezar

2017-03-01

Synchronous fluorescence spectroscopy (SFS) is a steady-state approach that we used for evaluation of specific fluorescence characteristics of cancerous colorectal tissues. SFS allow narrowing of the fluorescence spectra received, which increase the spectral resolution and improve the analysis of the fluorescence origin in such complex objects, such as biological tissues. In our study we investigate the characteristic differences, with diagnostic meaning, in the synchronous fluorescence spectra (SFS) of cancerous and healthy colorectal tissues ex vivo using a spectrofluorimeter FluoroLog3 (HORIBA, JobinYvon, France) for obtaining of the SFS data in a broad spectral range (300-800 nm) using excitation in the range of 280-440 nm with a delta lambda between 0 and 200 nm with a 10 nm step between scanning excitation and emission data. The procedure of obtaining the investigated samples ex vivo includes their excision during surgery for removal of neoplasia lesions. After the surgical removal biological samples are transported in isothermal conditions and safekeeping solution from the hospital to the spectral laboratory, where their spectral properties were investigated. All patients received and signed written informed consent and this research is approved by Ethics committee of University Hospital "Tsaritsa Yoanna", Sofia. Histological analysis was used as "gold standard" for evaluation of tissue samples and comparison of the spectral data received.

Inference of directional selection and mutation parameters assuming equilibrium.

PubMed

Vogl, Claus; Bergman, Juraj

2015-12-01

In a classical study, Wright (1931) proposed a model for the evolution of a biallelic locus under the influence of mutation, directional selection and drift. He derived the equilibrium distribution of the allelic proportion conditional on the scaled mutation rate, the mutation bias and the scaled strength of directional selection. The equilibrium distribution can be used for inference of these parameters with genome-wide datasets of "site frequency spectra" (SFS). Assuming that the scaled mutation rate is low, Wright's model can be approximated by a boundary-mutation model, where mutations are introduced into the population exclusively from sites fixed for the preferred or unpreferred allelic states. With the boundary-mutation model, inference can be partitioned: (i) the shape of the SFS distribution within the polymorphic region is determined by random drift and directional selection, but not by the mutation parameters, such that inference of the selection parameter relies exclusively on the polymorphic sites in the SFS; (ii) the mutation parameters can be inferred from the amount of polymorphic and monomorphic preferred and unpreferred alleles, conditional on the selection parameter. Herein, we derive maximum likelihood estimators for the mutation and selection parameters in equilibrium and apply the method to simulated SFS data as well as empirical data from a Madagascar population of Drosophila simulans. Copyright © 2015 Elsevier Inc. All rights reserved.

Are all types of expertise created equal? Car experts use different spatial frequency scales for subordinate categorization of cars and faces.

PubMed

Harel, Assaf; Bentin, Shlomo

2013-01-01

A much-debated question in object recognition is whether expertise for faces and expertise for non-face objects utilize common perceptual information. We investigated this issue by assessing the diagnostic information required for different types of expertise. Specifically, we asked whether face categorization and expert car categorization at the subordinate level relies on the same spatial frequency (SF) scales. Fifteen car experts and fifteen novices performed a category verification task with spatially filtered images of faces, cars, and airplanes. Images were categorized based on their basic (e.g. "car") and subordinate level (e.g. "Japanese car") identity. The effect of expertise was not evident when objects were categorized at the basic level. However, when the car experts categorized faces and cars at the subordinate level, the two types of expertise required different kinds of SF information. Subordinate categorization of faces relied on low SFs more than on high SFs, whereas subordinate expert car categorization relied on high SFs more than on low SFs. These findings suggest that expertise in the recognition of objects and faces do not utilize the same type of information. Rather, different types of expertise require different types of diagnostic visual information.

Effect of a functional monomer (MDP) on the enamel bond durability of single-step self-etch adhesives.

PubMed

Tsuchiya, Kenji; Takamizawa, Toshiki; Barkmeier, Wayne W; Tsubota, Keishi; Tsujimoto, Akimasa; Berry, Thomas P; Erickson, Robert L; Latta, Mark A; Miyazaki, Masashi

2016-02-01

The present study aimed to determine the effect of the functional monomer, 10-methacryloxydecyl dihydrogen phosphate (MDP), on the enamel bond durability of single-step self-etch adhesives through integrating fatigue testing and long-term water storage. An MDP-containing self-etch adhesive, Clearfil Bond SE ONE (SE), and an experimental adhesive, MDP-free (MF), which comprised the same ingredients as SE apart from MDP, were used. Shear bond strength (SBS) and shear fatigue strength (SFS) were measured with or without phosphoric acid pre-etching. The specimens were stored in distilled water for 24 h, 6 months, or 1 yr. Although similar SBS and SFS values were obtained for SE with pre-etching and for MF after 24 h of storage in distilled water, SE with pre-etching showed higher SBS and SFS values than MF after storage in water for 6 months or 1 yr. Regardless of the pre-etching procedure, SE showed higher SBS and SFS values after 6 months of storage in distilled water than after 24 h or 1 yr. To conclude, MDP might play an important role in enhancing not only bond strength but also bond durability with respect to repeated subcritical loading after long-term water storage. © 2015 Eur J Oral Sci.

Are All Types of Expertise Created Equal? Car Experts Use Different Spatial Frequency Scales for Subordinate Categorization of Cars and Faces

PubMed Central

Harel, Assaf; Bentin, Shlomo

2013-01-01

A much-debated question in object recognition is whether expertise for faces and expertise for non-face objects utilize common perceptual information. We investigated this issue by assessing the diagnostic information required for different types of expertise. Specifically, we asked whether face categorization and expert car categorization at the subordinate level relies on the same spatial frequency (SF) scales. Fifteen car experts and fifteen novices performed a category verification task with spatially filtered images of faces, cars, and airplanes. Images were categorized based on their basic (e.g. “car”) and subordinate level (e.g. “Japanese car”) identity. The effect of expertise was not evident when objects were categorized at the basic level. However, when the car experts categorized faces and cars at the subordinate level, the two types of expertise required different kinds of SF information. Subordinate categorization of faces relied on low SFs more than on high SFs, whereas subordinate expert car categorization relied on high SFs more than on low SFs. These findings suggest that expertise in the recognition of objects and faces do not utilize the same type of information. Rather, different types of expertise require different types of diagnostic visual information. PMID:23826188

Carbon source utilization patterns of Bacillus simplex ecotypes do not reflect their adaptation to ecologically divergent slopes in 'Evolution Canyon', Israel.

PubMed

Sikorski, Johannes; Pukall, Rüdiger; Stackebrandt, Erko

2008-10-01

The 'Evolution Canyons' I and II in Israel are model habitats to study adaptation and speciation of bacteria in the environment. These canyons represent similar ecological replicates, separated by 40 km, with a strongly sun-exposed and hot 'African' south-facing slope (SFS) vs. a cooler and mesic-lush 'European' north-facing slope (NFS). Previously, among 131 Bacillus simplex isolates, distinct genetic lineages (ecotypes), each specific for either SFS or NFS, were identified, suggesting a temperature-driven slope-specific adaptation. Here, we asked whether the ecological heterogeneity of SFS vs. NFS also affected carbon utilization abilities, as determined using the Biolog assay. Contrary to expectation, a correlation between substrate utilization patterns and the ecological origin of strains was not found. Rather, the patterns split according to the two major phylogenetic lineages each of which contain SFS and NFS ecotypes. We conclude that traits related to the general energy metabolism, as far as assessed here, are neither shaped by the major abiotic features of 'Evolution Canyon', namely solar radiation, temperature, and drought, nor by the soil characteristics. We further conclude that some traits diverge rather neutrally from each other, whereas other, more environmentally related traits are shaped by natural selection and show evolutionary convergence.

Modeling of reverberant room responses for two-dimensional spatial sound field analysis and synthesis.

PubMed

Bai, Mingsian R; Li, Yi; Chiang, Yi-Hao

2017-10-01

A unified framework is proposed for analysis and synthesis of two-dimensional spatial sound field in reverberant environments. In the sound field analysis (SFA) phase, an unbaffled 24-element circular microphone array is utilized to encode the sound field based on the plane-wave decomposition. Depending on the sparsity of the sound sources, the SFA stage can be implemented in two manners. For sparse-source scenarios, a one-stage algorithm based on compressive sensing algorithm is utilized. Alternatively, a two-stage algorithm can be used, where the minimum power distortionless response beamformer is used to localize the sources and Tikhonov regularization algorithm is used to extract the source amplitudes. In the sound field synthesis (SFS), a 32-element rectangular loudspeaker array is employed to decode the target sound field using pressure matching technique. To establish the room response model, as required in the pressure matching step of the SFS phase, an SFA technique for nonsparse-source scenarios is utilized. Choice of regularization parameters is vital to the reproduced sound field. In the SFS phase, three SFS approaches are compared in terms of localization performance and voice reproduction quality. Experimental results obtained in a reverberant room are presented and reveal that an accurate room response model is vital to immersive rendering of the reproduced sound field.

Reliable High Performance Peta- and Exa-Scale Computing

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

Bronevetsky, G

2012-04-02

As supercomputers become larger and more powerful, they are growing increasingly complex. This is reflected both in the exponentially increasing numbers of components in HPC systems (LLNL is currently installing the 1.6 million core Sequoia system) as well as the wide variety of software and hardware components that a typical system includes. At this scale it becomes infeasible to make each component sufficiently reliable to prevent regular faults somewhere in the system or to account for all possible cross-component interactions. The resulting faults and instability cause HPC applications to crash, perform sub-optimally or even produce erroneous results. As supercomputers continuemore » to approach Exascale performance and full system reliability becomes prohibitively expensive, we will require novel techniques to bridge the gap between the lower reliability provided by hardware systems and users unchanging need for consistent performance and reliable results. Previous research on HPC system reliability has developed various techniques for tolerating and detecting various types of faults. However, these techniques have seen very limited real applicability because of our poor understanding of how real systems are affected by complex faults such as soft fault-induced bit flips or performance degradations. Prior work on such techniques has had very limited practical utility because it has generally focused on analyzing the behavior of entire software/hardware systems both during normal operation and in the face of faults. Because such behaviors are extremely complex, such studies have only produced coarse behavioral models of limited sets of software/hardware system stacks. Since this provides little insight into the many different system stacks and applications used in practice, this work has had little real-world impact. My project addresses this problem by developing a modular methodology to analyze the behavior of applications and systems during both normal and faulty operation. By synthesizing models of individual components into a whole-system behavior models my work is making it possible to automatically understand the behavior of arbitrary real-world systems to enable them to tolerate a wide range of system faults. My project is following a multi-pronged research strategy. Section II discusses my work on modeling the behavior of existing applications and systems. Section II.A discusses resilience in the face of soft faults and Section II.B looks at techniques to tolerate performance faults. Finally Section III presents an alternative approach that studies how a system should be designed from the ground up to make resilience natural and easy.« less

Enhanced low-temperature critical current by reduction of stacking faults in REBCO coated conductors

NASA Astrophysics Data System (ADS)

Puichaud, A.-H.; Wimbush, S. C.; Knibbe, R.

2017-07-01

The effect of stacking faults (SF) on flux pinning and critical current (I c) in rare earth based coated conductors was investigated. The SF density in YBa2Cu3O7-δ (YBCO) films with and without Dy addition, produced by metal organic deposition, was modified by altering the oxygenation temperature. A detailed microstructural analysis of the coated conductors was performed by x-ray diffraction, scanning and transmission electron microscopy and energy dispersive spectroscopy, and the observed defect population was correlated with both the self-field and in-field I c. We report that the best self-field I c was obtained for samples having a low SF density, in spite of the SF being effective flux pinning defects at 77 K for magnetic fields applied within the ab plane. We also show that the SF have no observable flux pinning effect at low temperatures. This study demonstrates that for devices operated at low temperatures, the elimination of SF in the conductor wires is essential to attain higher I c.

Revisiting the Al/Al₂O₃ interface: coherent interfaces and misfit accommodation.

PubMed

Pilania, Ghanshyam; Thijsse, Barend J; Hoagland, Richard G; Lazić, Ivan; Valone, Steven M; Liu, Xiang-Yang

2014-03-27

We study the coherent and semi-coherent Al/α-Al2O3 interfaces using molecular dynamics simulations with a mixed, metallic-ionic atomistic model. For the coherent interfaces, both Al-terminated and O-terminated nonstoichiometric interfaces have been studied and their relative stability has been established. To understand the misfit accommodation at the semi-coherent interface, a 1-dimensional (1D) misfit dislocation model and a 2-dimensional (2D) dislocation network model have been studied. For the latter case, our analysis reveals an interface dislocation structure with a network of three sets of parallel dislocations, each with pure-edge character, giving rise to a pattern of coherent and stacking-fault-like regions at the interface. Structural relaxation at elevated temperatures leads to a further change of the dislocation pattern, which can be understood in terms of a competition between the stacking fault energy and the dislocation interaction energy at the interface. Our results are expected to serve as an input for the subsequent dislocation dynamics models to understand and predict the macroscopic mechanical behavior of Al/α-Al2O3 composite heterostructures.

Effect of rolling on phase composition and microhardness of austenitic steels with different stacking-fault energies

NASA Astrophysics Data System (ADS)

Melnikov, Eugene; Astafurova, Elena; Maier, Galina; Moskvina, Valentina

2017-12-01

The influence of multi-pass cold rolling on the phase composition and microhardness of austenitic Fe-18Cr-9Ni-0.21C, Fe-18Cr-9Ni-0.5Ti-0.08C, Fe-17Cr-13Ni-3Mo-0.01C (in wt %) steels with different stacking fault energies was studied. The metastable Fe-18Cr-9Ni-0.5Ti-0.08C steel undergoes γ → α' phase transformations during rolling, the volume fraction of strain-induced α'-martensite in steel structure is increased with increasing strain. Metastable austenite Fe-18Cr-9Ni-0.21C steel does not undergo the formation of an appreciable amount of strain-induced α'-martensite under rolling, but the magnetophase analysis reveals a small amount of ferrite phase in the structure of steel after rolling. The structure of stable Fe-17Cr-13Ni-3Mo-0.01C steel remains austenitic independently under strain. Investigations of microhardness of the steels show that their values are increased with strain and are dependent on propensity of steels to strain-induced martensitic transformation.

Mechanism of Na accumulation at extended defects in Si from first-principles

NASA Astrophysics Data System (ADS)

Park, Ji-Sang; Chan, Maria K. Y.

2018-04-01

Sodium (Na) impurities in silicon solar cells are considered to play an important role in potential-induced degradation (PID), a significant cause of solar cell degradation and failure. Shorting due to Na accumulation at extended defects has been suggested as a culprit for PID. However, it is not clear how the extended defects are decorated by Na impurities. Using first-principles density functional theory calculations, we find that Na impurities segregate from the bulk into extended defects such as intrinsic stacking faults and Σ3 (111) grain boundaries. The energy barrier required for Na to escape from the extended defects is substantial and similar to the sum of the barrier energy in bulk Si (1.1-1.2 eV) and the segregation energy to the stacking fault (˜0.7 eV). Surprisingly, the migration barrier for Na diffusion within the extended defects is even higher than the energy barrier for escaping. The results suggest that the extended defects likely accumulate Na as the impurities segregate to the defects from the bulk, rather than because of migration through the extended defects.

Long exciton lifetimes in stacking-fault-free wurtzite GaAs nanowires

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

Furthmeier, Stephan, E-mail: stephan.furthmeier@ur.de; Dirnberger, Florian; Hubmann, Joachim

We present a combined photoluminescence and transmission electron microscopy study of single GaAs nanowires. Each wire was characterized both in microscopy and spectroscopy, allowing a direct correlation of the optical and the structural properties. By tuning the growth parameters, the nanowire crystal structure is optimized from a highly mixed zincblende–wurtzite structure to pure wurtzite. We find the latter one to be stacking-fault-free over nanowire lengths up to 4.1 μm. We observe the emission of purely wurtzite nanowires to occur only with polarization directions perpendicular to the wurtzite c{sup ^}-axis, as expected from the hexagonal unit cell symmetry. The free exciton recombinationmore » energy in the wurtzite structure is 1.518 eV at 5 K with a narrow linewidth of 4 meV. Most notably, these pure wurtzite nanowires display long carrier recombination lifetimes of up to 11.2 ns, exceeding reported lifetimes in bulk GaAs and state-of-the-art 2D GaAs/AlGaAs heterostructures.« less

Signature of dislocations and stacking faults of face-centred cubic nanocrystals in coherent X-ray diffraction patterns: a numerical study.

PubMed

Dupraz, Maxime; Beutier, Guillaume; Rodney, David; Mordehai, Dan; Verdier, Marc

2015-06-01

Crystal defects induce strong distortions in diffraction patterns. A single defect alone can yield strong and fine features that are observed in high-resolution diffraction experiments such as coherent X-ray diffraction. The case of face-centred cubic nanocrystals is studied numerically and the signatures of typical defects close to Bragg positions are identified. Crystals of a few tens of nanometres are modelled with realistic atomic potentials and 'relaxed' after introduction of well defined defects such as pure screw or edge dislocations, or Frank or prismatic loops. Diffraction patterns calculated in the kinematic approximation reveal various signatures of the defects depending on the Miller indices. They are strongly modified by the dissociation of the dislocations. Selection rules on the Miller indices are provided, to observe the maximum effect of given crystal defects in the initial and relaxed configurations. The effect of several physical and geometrical parameters such as stacking fault energy, crystal shape and defect position are discussed. The method is illustrated on a complex structure resulting from the simulated nanoindentation of a gold nanocrystal.

Signature of dislocations and stacking faults of face-centred cubic nanocrystals in coherent X-ray diffraction patterns: a numerical study1

PubMed Central

Dupraz, Maxime; Beutier, Guillaume; Rodney, David; Mordehai, Dan; Verdier, Marc

2015-01-01

Crystal defects induce strong distortions in diffraction patterns. A single defect alone can yield strong and fine features that are observed in high-resolution diffraction experiments such as coherent X-ray diffraction. The case of face-centred cubic nanocrystals is studied numerically and the signatures of typical defects close to Bragg positions are identified. Crystals of a few tens of nanometres are modelled with realistic atomic potentials and ‘relaxed’ after introduction of well defined defects such as pure screw or edge dislocations, or Frank or prismatic loops. Diffraction patterns calculated in the kinematic approximation reveal various signatures of the defects depending on the Miller indices. They are strongly modified by the dissociation of the dislocations. Selection rules on the Miller indices are provided, to observe the maximum effect of given crystal defects in the initial and relaxed configurations. The effect of several physical and geometrical parameters such as stacking fault energy, crystal shape and defect position are discussed. The method is illustrated on a complex structure resulting from the simulated nanoindentation of a gold nanocrystal. PMID:26089755

Formation mechanism of fivefold deformation twins in a face-centered cubic alloy.

PubMed

Zhang, Zhenyu; Huang, Siling; Chen, Leilei; Zhu, Zhanwei; Guo, Dongming

2017-03-28

The formation mechanism considers fivefold deformation twins originating from the grain boundaries in a nanocrystalline material, resulting in that fivefold deformation twins derived from a single crystal have not been reported by molecular dynamics simulations. In this study, fivefold deformation twins are observed in a single crystal of face-centered cubic (fcc) alloy. A new formation mechanism is proposed for fivefold deformation twins in a single crystal. A partial dislocation is emitted from the incoherent twin boundaries (ITBs) with high energy, generating a stacking fault along {111} plane, and resulting in the nucleating and growing of a twin by the successive emission of partials. A node is fixed at the intersecting center of the four different slip {111} planes. With increasing stress under the indentation, ITBs come into being close to the node, leading to the emission of a partial from the node. This generates a stacking fault along a {111} plane, nucleating and growing a twin by the continuous emission of the partials. This process repeats until the formation of fivefold deformation twins.

Effect of Gas Tungsten Arc Welding Parameters on Hydrogen-Assisted Cracking of Type 321 Stainless Steel

NASA Astrophysics Data System (ADS)

Rozenak, Paul; Unigovski, Yaakov; Shneck, Roni

2016-05-01

The susceptibility of AISI type 321 stainless steel welded by the gas tungsten arc welding (GTAW) process to hydrogen-assisted cracking (HAC) was studied in a tensile test combined with in situ cathodic charging. Specimen charging causes a decrease in ductility of both the as-received and welded specimens. The mechanical properties of welds depend on welding parameters. For example, the ultimate tensile strength and ductility increase with growing shielding gas (argon) rate. More severe decrease in the ductility was obtained after post-weld heat treatment (PWHT). In welded steels, in addition to discontinuous grain boundary carbides (M23C6) and dense distribution of metal carbides MC ((Ti, Nb)C) precipitated in the matrix, the appearance of delta-ferrite phase was observed. The fracture of sensitized specimens was predominantly intergranular, whereas the as-welded specimens exhibited mainly transgranular regions. High-dislocation density regions and stacking faults were found in delta-ferrite formed after welding. Besides, thin stacking fault plates and epsilon-martensite were found in the austenitic matrix after the cathodic charging.

Formation mechanism of fivefold deformation twins in a face-centered cubic alloy

NASA Astrophysics Data System (ADS)

Zhang, Zhenyu; Huang, Siling; Chen, Leilei; Zhu, Zhanwei; Guo, Dongming

2017-03-01

The formation mechanism considers fivefold deformation twins originating from the grain boundaries in a nanocrystalline material, resulting in that fivefold deformation twins derived from a single crystal have not been reported by molecular dynamics simulations. In this study, fivefold deformation twins are observed in a single crystal of face-centered cubic (fcc) alloy. A new formation mechanism is proposed for fivefold deformation twins in a single crystal. A partial dislocation is emitted from the incoherent twin boundaries (ITBs) with high energy, generating a stacking fault along {111} plane, and resulting in the nucleating and growing of a twin by the successive emission of partials. A node is fixed at the intersecting center of the four different slip {111} planes. With increasing stress under the indentation, ITBs come into being close to the node, leading to the emission of a partial from the node. This generates a stacking fault along a {111} plane, nucleating and growing a twin by the continuous emission of the partials. This process repeats until the formation of fivefold deformation twins.

Influence of Austenite Stability on Steel Low Cycle Fatigue Response

NASA Astrophysics Data System (ADS)

Lehnhoff, G. R.; Findley, K. O.

Austenitic steels were subjected to tensile and total strain controlled, fully reversed axial low cycle fatigue (LCF) testing to determine the influence of stacking fault energy on austenite stability, or resistance to strain induced martensitic transformation during tensile and fatigue deformation. Expected differences in stacking fault energy were achieved by modifying alloys with different amounts of silicon and aluminum. Al alloying was found to promote martensite formation during both tensile and LCF loading, while Si was found to stabilize austenite. Martensite formation increases tensile work hardening rates, though Si additions also increase the work hardening rate without martensite transformation. Similarly, secondary cyclic strain hardening during LCF is attributed to strain induced martensite formation, but Si alloying resulted in less secondary cyclic strain hardening. The amount of secondary cyclic hardening scales linearly with martensite fraction and depends only on the martensite fraction achieved and not on the martensite (i.e. parent austenite) chemistry. Martensite formation was detrimental to LCF lives at all strain amplitudes tested, although the total amount of martensitic transformation during LCF did not always monotonically increase with strain amplitude nor correlate to the amount of tensile transformation.

Ab initio local-energy and local-stress analysis of tensile behaviours of tilt grain boundaries in Al and Cu

NASA Astrophysics Data System (ADS)

Wang, Hao; Kohyama, Masanori; Tanaka, Shingo; Shiihara, Yoshinori

2017-01-01

Tensile deformation and failure of Σ9 tilt grain boundaries (GBs) in Al and Cu have been examined by first-principles tensile tests (FPTTs). Local-energy and local-stress schemes were applied to clarify the variations of local energies and local hydrostatic stresses for all atoms during the deformation process. The GBs in Al and Cu exhibited quite different tensile behaviours in the FPTTs, despite their similar initial configurations. For the Al GB, there are two stages of deformation before failure. In the first stage, the back bonds of the interfacial bonds are mainly stretched, due to special high strength of the interfacial reconstructed bonds. In the second stage, the interfacial bonds begin to be significantly stretched due to high concentrated stresses, while stretching of the back bonds is suppressed. The atoms at the interfacial, back and bulk bonds have very different variations of local energies and local stresses during each stage, because the behaviour of each atom is significantly dependent on each local structural change due to the high sensitivity of sp electrons to the local environment in Al. The Cu GB has much higher tensile strength, and a natural introduction of stacking faults (SFs) occurs via the {111}< 112> shear slip in the bulk regions between the interfaces before the maximum stress is reached. This is caused by the smaller SF energy and lower ideal shear strength of Cu than Al, and is triggered by highly accumulated local energies and stress at the interface atoms. The local-energy distribution around the SF is consistent with the previous theoretical estimation. After the introduction of the SF, the local energies and stresses of all the atoms in the Cu GB supercell tend to become similar to each other during the tensile process, in contrast to the inhomogeneity in the Al GB. The origins of the different tensile behaviours observed for Al and Cu GBs are discussed with respect to the different bonding natures of Al and Cu, which are dominated by three sp valence electrons per atom for Al and by fully occupied d bands and s electrons for Cu.

Using Ambient Seismic Noise to Monitor Post-Seismic Relaxation After the 2010 Mw 7.1 Darfield Earthquake, New Zealand

NASA Astrophysics Data System (ADS)

Savage, M. K.; Heckels, R.; Townend, J.

2015-12-01

Quantifying seismic velocity changes following large earthquakes can provide insights into the crustal response of the earth. The use of ambient seismic noise to monitor these changes is becoming increasingly widespread. Cross-correlations of long-duration ambient noise records can be used to give stable impulse response functions without the need for repeated seismic events. Temporal velocity changes were detected in the four months following the September 2010 Mw 7.1 Darfield event in South Island, New Zealand, using temporary seismic networks originally deployed to record aftershocks in the region. The arrays consisted of stations lying on and surrounding the fault, with a maximum inter-station distance of 156km. The 2010-2011 Canterbury earthquake sequence occurred largely on previously unknown and buried faults. The Darfield earthquake was the first and largest in a sequence of events that hit the region, rupturing the Greendale Fault. A surface rupture of nearly 30km was observed. The sequence also included the Mw 6.3 February 2011 Christchurch event, which caused widespread damage throughout the city and resulted in almost 200 deaths. Nine-component, day-long Green's functions were computed for frequencies between 0.1 - 1.0 Hz for full waveform seismic data from immediately after the 4th September 2010 earthquake until mid-January 2011. Using the moving window cross-spectral method, stacks of daily functions covering the study period (reference functions), were compared to consecutive 10 day stacks of cross-correlations to measure time delays between them. These were then inverted for seismic velocity changes with respect to the reference functions. Over the study period an increase in seismic velocity of 0.25% ± 0.02% was determined proximal to the Greendale fault. These results are similar to studies in other regions, and we attribute the changes to post-seismic relaxation through crack-healing of the Greendale Fault and throughout the region.

Non-Mutually Exclusive Deep Neural Network Classifier for Combined Modes of Bearing Fault Diagnosis

PubMed Central

Kim, Jong-Myon

2018-01-01

The simultaneous occurrence of various types of defects in bearings makes their diagnosis more challenging owing to the resultant complexity of the constituent parts of the acoustic emission (AE) signals. To address this issue, a new approach is proposed in this paper for the detection of multiple combined faults in bearings. The proposed methodology uses a deep neural network (DNN) architecture to effectively diagnose the combined defects. The DNN structure is based on the stacked denoising autoencoder non-mutually exclusive classifier (NMEC) method for combined modes. The NMEC-DNN is trained using data for a single fault and it classifies both single faults and multiple combined faults. The results of experiments conducted on AE data collected through an experimental test-bed demonstrate that the DNN achieves good classification performance with a maximum accuracy of 95%. The proposed method is compared with a multi-class classifier based on support vector machines (SVMs). The NMEC-DNN yields better diagnostic performance in comparison to the multi-class classifier based on SVM. The NMEC-DNN reduces the number of necessary data collections and improves the bearing fault diagnosis performance. PMID:29642466

Fault detection and isolation of high temperature proton exchange membrane fuel cell stack under the influence of degradation

NASA Astrophysics Data System (ADS)

Jeppesen, Christian; Araya, Samuel Simon; Sahlin, Simon Lennart; Thomas, Sobi; Andreasen, Søren Juhl; Kær, Søren Knudsen

2017-08-01

This study proposes a data-drive impedance-based methodology for fault detection and isolation of low and high cathode stoichiometry, high CO concentration in the anode gas, high methanol vapour concentrations in the anode gas and low anode stoichiometry, for high temperature PEM fuel cells. The fault detection and isolation algorithm is based on an artificial neural network classifier, which uses three extracted features as input. Two of the proposed features are based on angles in the impedance spectrum, and are therefore relative to specific points, and shown to be independent of degradation, contrary to other available feature extraction methods in the literature. The experimental data is based on a 35 day experiment, where 2010 unique electrochemical impedance spectroscopy measurements were recorded. The test of the algorithm resulted in a good detectability of the faults, except for high methanol vapour concentration in the anode gas fault, which was found to be difficult to distinguish from a normal operational data. The achieved accuracy for faults related to CO pollution, anode- and cathode stoichiometry is 100% success rate. Overall global accuracy on the test data is 94.6%.

High-Resolution Source Parameter and Site Characteristics Using Near-Field Recordings - Decoding the Trade-off Problems Between Site and Source

NASA Astrophysics Data System (ADS)

Chen, X.; Abercrombie, R. E.; Pennington, C.

2017-12-01

Recorded seismic waveforms include contributions from earthquake source properties and propagation effects, leading to long-standing trade-off problems between site/path effects and source effects. With near-field recordings, the path effect is relatively small, so the trade-off problem can be simplified to between source and site effects (commonly referred as "kappa value"). This problem is especially significant for small earthquakes where the corner frequencies are within similar ranges of kappa values, so direct spectrum fitting often leads to systematic biases due to corner frequency and magnitude. In response to the significantly increased seismicity rate in Oklahoma, several local networks have been deployed following major earthquakes: the Prague, Pawnee and Fairview earthquakes. Each network provides dense observations within 20 km surrounding the fault zone, recording tens of thousands of aftershocks between M1 to M3. Using near-field recordings in the Prague area, we apply a stacking approach to separate path/site and source effects. The resulting source parameters are consistent with parameters derived from ground motion and spectral ratio methods from other studies; they exhibit spatial coherence within the fault zone for different fault patches. We apply these source parameter constraints in an analysis of kappa values for stations within 20 km of the fault zone. The resulting kappa values show significantly reduced variability compared to those from direct spectral fitting without constraints on the source spectrum; they are not biased by earthquake magnitudes. With these improvements, we plan to apply the stacking analysis to other local arrays to analyze source properties and site characteristics. For selected individual earthquakes, we will also use individual-pair empirical Green's function (EGF) analysis to validate the source parameter estimations.

Structural and Depositional Evolution of the Stevenson Basin, a Gulf of Alaska Forearc Basin: Insights from Legacy Seismic and Borehole Data

NASA Astrophysics Data System (ADS)

Bhattacharya, R.; Liberty, L. M.; Almeida, R. V.; Hubbard, J.

2016-12-01

We explore the structural and depositional evolution of the Stevenson Basin, Gulf of Alaska from a dense network of 2-D marine seismic profiles that span the Gulf of Alaska continental margin. The grid of 71 seismic profiles was acquired as part of a 1975 Mineral Management Services (MMS) exploration project to assess basin architecture along the Alaska continental shelf. We obtained unmigrated and stacked seismic profiles in TIFF format. We converted the data to SEGY format and migrated each profile. Within the Stevenson Basin, we identify key seismic horizons, including the regional Eocene-Miocene unconformity, that provide insights into its depositional and structural history. Using these observations combined with stacking velocities, sonic logs from wells, and refraction velocities from the Edge profile of Ye et al. (1997), we develop a local 3D velocity model that we use to depth-convert the seismic reflection profiles. By using ties to >2.5 km deep exploration wells, we note the Stevenson Basin is one of many Eocene and younger depocenters that span the forearc between Kodiak and Prince William Sound. Well logs and seismic data suggest basal strata consist of Eocene sediments than are unconformably overlain by Neogene and younger strata. Faults that breach the sea floor suggest active deformation within and at the bounds of this basin, including on new faults that do not follow any pre-existing structural trends. This assessment is consistent with slip models that place tsunamigenic faults that ruptured during the 1964 Great Alaska earthquake in the vicinity of the basin. The catalog of faults, their slip history and the depositional evolution of the Stevenson Basin, all suggest that the basin evolution may be controlled by heterogeneities along the incoming plate.

Nanoscale heterogeneity as remnant hexagonal-type local structures in shocked Cu-Pb and Zr

NASA Astrophysics Data System (ADS)

Tayal, Akhil; Conradson, Steven D.; Batuk, Olga N.; Fensin, Saryu; Cerreta, Ellen; Gray, George T.; Saxena, Avadh

2017-09-01

Extended X-ray absorption fine structure spectroscopy was used to determine the local structure in: (1) Zr that had undergone quasistatic elongation; (2) Zr that had undergone plastic deformation by shock at pressures above and below the ω-phase transformation; and (3) shocked Cu that contained a few percent of insoluble Pb. Below the transition pressure, Zr samples showed only general disorder as increases in the widths of the Zr-Zr pair distributions. Above this pressure, Zr that was a mixture of the original hcp and the high pressure ω-phase when measured by diffraction showed two sets of peaks in its distribution corresponding to these two phases. Some of the ones from the ω-phase were at distances substantially different from those calculated from the diffraction pattern, although they are still consistent with small domains exhibiting stacking faults associated with hexagonal-type structural components exhibiting variability in the [0001] basal plane spacing. A similar result, new pairs at just over 3 and 4 Å consistent with hexagonal-type stacking faults in addition to the original fcc structure, is found in shocked Cu despite the absence of a second diffraction pattern and peak pressures being far below those expected to induce an fcc to hcp transition. This result, therefore, demonstrates that the correlation between high strain rates and reduced stacking fault energy continues down to the length scale of atom pairs. These findings are significant as: (1) a microscopic description of the behavior of systems far from equilibrium; (2) a demonstration of the importance of strain rate at short length scales; and (3) a bridge between the abruptness of macroscopic pressure-induced phase transitions and the continuity of martensitic ones over their fluctuation region in terms of the inverse relationship between the length scale of the martensitic texture, manifested here as ordered lattice distortions and the lower pressure at which such texture first appears relative to the bulk transition pressure.

Discussion Starter: The Case for Duplexing without Channel Flow During the Development and Emplacement of the Himalayan Middle Crust

NASA Astrophysics Data System (ADS)

Webb, A. G.; He, D.; Yu, H.

2015-12-01

This presentation and another presentation led by Dawn Kellett will preface a ten-minute open discussion on how the Himalayan middle crust was developed and emplaced. Current hypotheses are transitioning from a set including wedge extrusion, channel flow with focused denudation, and tectonic wedging to a revised dichotomy: models with intense upper plate out-of-sequence activity (i.e., tunneling of channel flow, and critical taper wedge behavior) versus models in which the upper plate mainly records basal accretion of horses (i.e., duplexing). Critical taper and duplexing offer a simple contrast that can be illustrated via food analogies. If a wedge is critical, it churns internally like a pile of CheeriosTM cereal pushed up an inclined plane. Stacking of a duplex acts like a deli meat-slicing machine: slice after slice is cut from the intact block to a stack of slices, but neither the block (~down-going plate) nor the stack (~upper plate) features much internal deformation. Thus critical taper and channel tunneling models predict much processing via out-of-sequence deformation, whereas duplexing predicts in-sequence thrusting. The two concepts may be considered end-members. Recent work shows that the Himalayan middle crust has been assembled along a series of mainly southwards-younging thrust faults. The thrust faults separate 1-5 km thick panels that experienced similar metamorphic cycles during different time periods. Out-of-sequence deformation is rare, with its apparent significance enhanced because of the high throw-to-heave ratio of out-of-sequence thrusting. Flattening fabrics developed prior to thrusting have been interpreted to record either (1) southwards channel tunneling across the upper plate, or (2) fabric development during metamorphism of the down-going plate. We will argue that the thrust faults dominantly represent in-sequence duplexing, and therefore conclude that the Himalaya and analogous hot orogens behave like other accretionary orogens.

A Spatially and Temporally Continuous LFE Catalogue for the Southern Alps, New Zealand

NASA Astrophysics Data System (ADS)

Chamberlain, C. J.; Townend, J.; Baratin, L. M.

2015-12-01

Using a brightness-based beamforming approach coupled with a matched-filter correlation method, we have developed a 6.5 year record of low-frequency earthquakes (LFEs) occuring on and near the deep extent of New Zealand's Alpine Fault. Our brightness template detection method, based on that of Frank et al. (2014), scans a pre-determined grid of possible seismic sources to automatically find LFE templates based on the stack of bandpassed squared seismic data. Previous work (Wech et al., 2012, Chamberlain et al., 2014) has shown that the depths of standard seismicity are anti-correlated with those of tremor and LFEs in the central Southern Alps: hence, by careful grid selection, shallow seismic sources can effectively be discriminated against. This beamforming approach produces many (>900) possible events. Initial beamforming detections are grouped by moveout and stacked to produce a subset of higher-quality events for use as templates in a cross-correlation detector. Events detected by cross-correlation are stacked to increase their signal-to-noise charectaristics before being located using a 3D velocity model. This method produces a spatially and temporally continuous catalogue of LFEs throughout the 6.5 year study period. The catalogue highlights quasi-continuous slow deformation occuring beneath the seismogenic zone near the Alpine Fault, punctuated by periods of increased LFE generation associated with tremor, and following large regional earthquakes. To date we have found no evidence of LFE generation north-east of Mt. Cook, the highest point in the Southern Alps, despite systematic searching throughout the region. We suggest that the along-strike cessation of tremor is due to changes in the fault's dip and the hypothesised presence of partially subducted passive margin material. This remnant passive margin would lie benath the tremor-generating region and has been linked to along-strike changes in subcrustal earthquake distributions (Boese et al., 2013).

2-D traveltime and waveform inversion for improved seismic imaging: Naga Thrust and Fold Belt, India

NASA Astrophysics Data System (ADS)

Jaiswal, Priyank; Zelt, Colin A.; Bally, Albert W.; Dasgupta, Rahul

2008-05-01

Exploration along the Naga Thrust and Fold Belt in the Assam province of Northeast India encounters geological as well as logistic challenges. Drilling for hydrocarbons, traditionally guided by surface manifestations of the Naga thrust fault, faces additional challenges in the northeast where the thrust fault gradually deepens leaving subtle surface expressions. In such an area, multichannel 2-D seismic data were collected along a line perpendicular to the trend of the thrust belt. The data have a moderate signal-to-noise ratio and suffer from ground roll and other acquisition-related noise. In addition to data quality, the complex geology of the thrust belt limits the ability of conventional seismic processing to yield a reliable velocity model which in turn leads to poor subsurface image. In this paper, we demonstrate the application of traveltime and waveform inversion as supplements to conventional seismic imaging and interpretation processes. Both traveltime and waveform inversion utilize the first arrivals that are typically discarded during conventional seismic processing. As a first step, a smooth velocity model with long wavelength characteristics of the subsurface is estimated through inversion of the first-arrival traveltimes. This velocity model is then used to obtain a Kirchhoff pre-stack depth-migrated image which in turn is used for the interpretation of the fault. Waveform inversion is applied to the central part of the seismic line to a depth of ~1 km where the quality of the migrated image is poor. Waveform inversion is performed in the frequency domain over a series of iterations, proceeding from low to high frequency (11-19 Hz) using the velocity model from traveltime inversion as the starting model. In the end, the pre-stack depth-migrated image and the waveform inversion model are jointly interpreted. This study demonstrates that a combination of traveltime and waveform inversion with Kirchhoff pre-stack depth migration is a promising approach for the interpretation of geological structures in a thrust belt.

High-Accuracy Near-Surface Large-Eddy Simulation with Planar Topography

DTIC Science & Technology

2015-08-03

Navier-Stokes equation, in effect randomizing the subfilter-scale (SFS) stress divergence. In the intervening years it has been discovered that this...surface stress models do introduce spurious effects that force deviations from LOTW at the first couple grid levels adjacent to the surface. Fig. 10 shows...SFS stress is sufficiently overwhelming to produce the overshoot. When the LES is moved into the HAZ so that the viscous effects causing the

Overview of the Fusion Z-Pinch Experiment FuZE

NASA Astrophysics Data System (ADS)

Weber, T. R.; Shumlak, U.; Nelson, B. A.; Golingo, R. P.; Claveau, E. L.; McLean, H. S.; Tummel, K. K.; Higginson, D. P.; Schmidt, A. E.; UW/LLNL Team

2016-10-01

Previously, the ZaP device, at the University of Washington, demonstrated sheared flow stabilized (SFS) Z-pinch plasmas. Instabilities that have historically plagued Z-pinch plasma confinement were mitigated using sheared flows generated from a coaxial plasma gun of the Marshall type. Based on these results, a new SFS Z-pinch experiment, the Fusion Z-pinch Experiment (FuZE), has been constructed. FuZE is designed to investigate the scaling of SFS Z-pinch plasmas towards fusion conditions. The experiment will be supported by high fidelity physics modeling using kinetic and fluid simulations. Initial plans are in place for a pulsed fusion reactor following the results of FuZE. Notably, the design relies on proven commercial technologies, including a modest discharge current (1.5 MA) and voltage (40 kV), and liquid metal electrodes. Supported by DoE FES, NNSA, and ARPA-E ALPHA.

Overview of the FuZE Fusion Z-Pinch Experiment

NASA Astrophysics Data System (ADS)

Shumlak, U.; Nelson, B. A.; Claveau, E. L.; Forbes, E. G.; Golingo, R. P.; Stepanov, A. D.; Weber, T. R.; Zhang, Y.; McLean, H. S.; Higginson, D. P.; Schmidt, A.; Tummel, K. K.

2017-10-01

Successful results of the sheared flow stabilized (SFS) Z-pinch from ZaP and ZaP-HD have motivated the new FuZE project to scale the plasma performance to fusion conditions. The SFS Z-pinch is immune to the instabilities that plague the conventional Z-pinch yet maintains the same favorable radial scaling. The plasma density and temperature increase rapidly with decreasing plasma radius, which naturally leads to a compact configuration at fusion conditions. The SFS Z-pinch is being investigated as a novel approach to a compact fusion device in a collaborative ARPA-E ALPHA project with the University of Washington and Lawrence Livermore National Laboratory. The project includes an experimental effort coupled with high-fidelity physics modeling using kinetic and fluid simulations. Along with scaling law analysis, computational and experimental results from the FuZE device are presented. This work is supported by an award from US ARPA-E.

Surface mass diffusion over an extended temperature range on Pt(111)

NASA Astrophysics Data System (ADS)

Rajappan, M.; Swiech, W.; Ondrejcek, M.; Flynn, C. P.

2007-06-01

Surface mass diffusion is investigated on Pt(111) at temperatures in the range 710-1220 K. This greatly extends the range over which diffusion is known from step fluctuation spectroscopy (SFS). In the present research, a beam of Pt- self-ions is employed to create a suitable structure on step edges. The surface mass diffusion coefficients then follow from the decay of Fourier components observed by low-energy electron microscopy (LEEM) at selected annealing temperatures. The results agree with SFS values where they overlap, and continue smoothly to low temperature. This makes it unlikely that diffusion along step edges plays a major role in step edge relaxation through the temperature range studied. The surface mass diffusion coefficient for the range 710-1520 K deduced from the present work, together with previous SFS data, is Ds = 4 × 10-3 exp(-1.47 eV/kBT) cm2 s-1.

Orbital angular momentum and spectral flow in two-dimensional chiral superfluids.

PubMed

Tada, Yasuhiro; Nie, Wenxing; Oshikawa, Masaki

2015-05-15

We study the orbital angular momentum (OAM) L_{z} in two-dimensional chiral (p_{x}+ip_{y})^{ν}-wave superfluids (SFs) of N fermions on a disk at zero temperature, in terms of spectral asymmetry and spectral flow. It is shown that L_{z}=νN/2 for any integer ν, in the Bose-Einstein condensation regime. In contrast, in the BCS limit, while the OAM is L_{z}=N/2 for the p+ip-wave SF, for chiral SFs with ν≥2, the OAM is remarkably suppressed as L_{z}=N×O(Δ_{0}/ϵ_{F})≪N, where Δ_{0} is the gap amplitude and ϵ_{F} is the Fermi energy. We demonstrate that the difference between the p+ip-wave SF and the other chiral SFs in the BCS regimes originates from the nature of edge modes and related depairing effects.

A Deep Learning Approach for Fault Diagnosis of Induction Motors in Manufacturing

NASA Astrophysics Data System (ADS)

Shao, Si-Yu; Sun, Wen-Jun; Yan, Ru-Qiang; Wang, Peng; Gao, Robert X.

2017-11-01

Extracting features from original signals is a key procedure for traditional fault diagnosis of induction motors, as it directly influences the performance of fault recognition. However, high quality features need expert knowledge and human intervention. In this paper, a deep learning approach based on deep belief networks (DBN) is developed to learn features from frequency distribution of vibration signals with the purpose of characterizing working status of induction motors. It combines feature extraction procedure with classification task together to achieve automated and intelligent fault diagnosis. The DBN model is built by stacking multiple-units of restricted Boltzmann machine (RBM), and is trained using layer-by-layer pre-training algorithm. Compared with traditional diagnostic approaches where feature extraction is needed, the presented approach has the ability of learning hierarchical representations, which are suitable for fault classification, directly from frequency distribution of the measurement data. The structure of the DBN model is investigated as the scale and depth of the DBN architecture directly affect its classification performance. Experimental study conducted on a machine fault simulator verifies the effectiveness of the deep learning approach for fault diagnosis of induction motors. This research proposes an intelligent diagnosis method for induction motor which utilizes deep learning model to automatically learn features from sensor data and realize working status recognition.

Flooding-related increases in CO2 and N2O emissions from a temperate coastal grassland ecosystem

NASA Astrophysics Data System (ADS)

Gebremichael, Amanuel W.; Osborne, Bruce; Orr, Patrick

2017-05-01

Given their increasing trend in Europe, an understanding of the role that flooding events play in carbon (C) and nitrogen (N) cycling and greenhouse gas (GHG) emissions will be important for improved assessments of local and regional GHG budgets. This study presents the results of an analysis of the CO2 and N2O fluxes from a coastal grassland ecosystem affected by episodic flooding that was of either a relatively short (SFS) or long (LFS) duration. Compared to the SFS, the annual CO2 and N2O emissions were 1.4 and 1.3 times higher at the LFS, respectively. Mean CO2 emissions during the period of standing water were 144 ± 18.18 and 111 ± 9.51 mg CO2-C m-2 h-1, respectively, for the LFS and SFS sites. During the growing season, when there was no standing water, the CO2 emissions were significantly larger from the LFS (244 ± 24.88 mg CO2-C m-2 h-1) than the SFS (183 ± 14.90 mg CO2-C m-2 h-1). Fluxes of N2O ranged from -0.37 to 0.65 mg N2O-N m-2 h-1 at the LFS and from -0.50 to 0.55 mg N2O-N m-2 h-1 at the SFS, with the larger emissions associated with the presence of standing water at the LFS but during the growing season at the SFS. Overall, soil temperature and moisture were identified as the main drivers of the seasonal changes in CO2 fluxes, but neither adequately explained the variations in N2O fluxes. Analysis of total C, N, microbial biomass and Q10 values indicated that the higher CO2 emissions from the LFS were linked to the flooding-associated influx of nutrients and alterations in soil microbial populations. These results demonstrate that annual CO2 and N2O emissions can be higher in longer-term flooded sites that receive significant amounts of nutrients, although this may depend on the restriction of diffusional limitations due to the presence of standing water to periods of the year when the potential for gaseous emissions are low.

Geomorphology, kinematic history, and earthquake behavior of the active Kuwana wedge thrust anticline, central Japan

NASA Astrophysics Data System (ADS)

Ishiyama, Tatsuya; Mueller, Karl; Togo, Masami; Okada, Atsumasa; Takemura, Keiji

2004-12-01

We combine surface mapping of fault and fold scarps that deform late Quaternary alluvial strata with interpretation of a high-resolution seismic reflection profile to develop a kinematic model and determine fault slip rates for an active blind wedge thrust system that underlies Kuwana anticline in central Japan. Surface fold scarps on Kuwana anticline are closely correlated with narrow fold limbs and angular hinges on the seismic profile that suggest at least ˜1.3 km of fault slip completely consumed by folding in the upper 4 km of the crust. The close coincidence and kinematic link between folded terraces and the underlying thrust geometry indicate that Kuwana anticline has accommodated slip at an average rate of 2.2 ± 0.5 mm/yr on a 27°, west dipping thrust fault since early-middle Pleistocene time. In contrast to classical fault bend folds the fault slip budget in the stacked wedge thrusts also indicates that (1) the fault tip propagated upward at a low rate relative to the accrual of fault slip and (2) fault slip is partly absorbed by numerous bedding plane flexural-slip faults above the tips of wedge thrusts. An historic earthquake that occurred on the Kuwana blind thrust system possibly in A.D. 1586 is shown to have produced coseismic surface deformation above the doubly vergent wedge tip. Structural analyses of Kuwana anticline coupled with tectonic geomorphology at 103-105 years timescales illustrate the significance of active folds as indicators of slip on underlying blind thrust faults and thus their otherwise inaccessible seismic hazards.

Resolution Analysis of finite fault inversions: A back-projection approach.

NASA Astrophysics Data System (ADS)

Ji, C.; Shao, G.

2007-12-01

The resolution of inverted source models of large earthquakes is controlled by frequency contents of "coherent" (or "useful") seismic observations and their spatial distribution. But it is difficult to distinguish whether some features consistent during different inversions are really required by data or a consequence of "prior" information, such as velocity structures, fault geometry, model parameterizations. Here, we investigate the model spatial resolution by first back projecting and stacking the data at the source regions and then analyzing the spatial- temporal variations of the focusing regions, which arbitrarily defined as the regions with 90% of the peak focusing amplitude. Our preliminary results indicated 1) The spatial-temporal resolution at a particularly direction is controlled by the region of directivity parameter [pcos(θ)] within the seismic network, where p is the horizontal slowness from the hypocenter and θ is the difference between the station azimuth and this orientation. Therefore, the network aperture is more important than the number of stations. 2) Simple stacking method is a robust method to capture the asperities but the sizes of focusing regions are usually much larger than what data could resolve. By carefully weighting the data before the stacking could enhance the spatial resolution in a particular direction. 3) The results based on the teleseismic P waves of a local network usually surfers the trade-off between the source's spatial location and its rupture time. The resolution of the 2001 Kunlunshan earthquake and 2006 Kuril island earthquake will be investigated.

Endogenous synchronous fluorescence spectroscopy (SFS) of basal cell carcinoma-initial study

NASA Astrophysics Data System (ADS)

Borisova, E.; Zhelyazkova, Al.; Keremedchiev, M.; Penkov, N.; Semyachkina-Glushkovskaya, O.; Avramov, L.

2016-01-01

The human skin is a complex, multilayered and inhomogeneous organ with spatially varying optical properties. Analysis of cutaneous fluorescence spectra could be a very complicated task; therefore researchers apply complex mathematical tools for data evaluation, or try to find some specific approaches, that would simplify the spectral analysis. Synchronous fluorescence spectroscopy (SFS) allows improving the spectral resolution, which could be useful for the biological tissue fluorescence characterization and could increase the tumour detection diagnostic accuracy.

Application of far-infrared spectroscopy to the structural identification of protein materials.

PubMed

Han, Yanchen; Ling, Shengjie; Qi, Zeming; Shao, Zhengzhong; Chen, Xin

2018-05-03

Although far-infrared (IR) spectroscopy has been shown to be a powerful tool to determine peptide structure and to detect structural transitions in peptides, it has been overlooked in the characterization of proteins. Herein, we used far-IR spectroscopy to monitor the structure of four abundant non-bioactive proteins, namely, soybean protein isolate (SPI), pea protein isolate (PPI) and two types of silk fibroins (SFs), domestic Bombyx mori and wild Antheraea pernyi. The two globular proteins SPI and PPI result in broad and weak far-IR bands (between 50 and 700 cm-1), in agreement with those of some other bioactive globular proteins previously studied (lysozyme, myoglobin, hemoglobin, etc.) that generally only have random amino acid sequences. Interestingly, the two SFs, which are characterized by a structure composed of highly repetitive motifs, show several sharp far-IR characteristic absorption peaks. Moreover, some of these characteristic peaks (such as the peaks at 260 and 428 cm-1 in B. mori, and the peaks at 245 and 448 cm-1 in A. pernyi) are sensitive to conformational changes; hence, they can be directly used to monitor conformational transitions in SFs. Furthermore, since SF absorption bands clearly differ from those of globular proteins and different SFs even show distinct adsorption bands, far-IR spectroscopy can be applied to distinguish and determine the specific SF component within protein blends.

Differences in social functioning among patients with major psychiatric disorders: Interpersonal communication is impaired in patients with schizophrenia and correlates with an increase in schizotypal traits.

PubMed

Yasuyama, Toshiki; Ohi, Kazutaka; Shimada, Takamitsu; Uehara, Takashi; Kawasaki, Yasuhiro

2017-03-01

Impaired social functioning is a hallmark of major psychiatric disorders. The purpose of this study was to detect a disorder-specific factor of social dysfunction among patients with major psychiatric disorders (PSY), including schizophrenia (SCZ), bipolar disorder (BIP) and major depressive disorder (MDD). Social functioning was assessed in patients with SCZ (n=80), BIP (n=27) or MDD (n=29) and healthy controls (HC, n=68) using the Social Functioning Scale (SFS). Compared to HC, the SCZ, BIP and MDD patient groups showed lower total SFS scores. No differences in the total scores for social functioning were observed between patient groups. We next investigated seven subscales of the SFS among PSY and observed significant diagnostic effects on all subscales of the SFS. Notably, patients with SCZ have poorer interpersonal communication than patients with MDD. Furthermore, the poorer interpersonal communication score was significantly correlated with an increase in schizotypal personality traits, as assessed by the Schizotypal Personality Questionnaire (SPQ) in HC. Although there were no differences in overall social functioning among PSY, disorder-specific factors, such as interpersonal communication, were evident in SCZ. The correlation between poor interpersonal communication and the increase in schizotypal traits suggests that poor interpersonal communication may be an intermediate phenotype of SCZ. Copyright © 2017 Elsevier Ireland Ltd. All rights reserved.

Introduction

NASA Astrophysics Data System (ADS)

de Laat, Cees; Develder, Chris; Jukan, Admela; Mambretti, Joe

This topic is devoted to communication issues in scalable compute and storage systems, such as parallel computers, networks of workstations, and clusters. All aspects of communication in modern systems were solicited, including advances in the design, implementation, and evaluation of interconnection networks, network interfaces, system and storage area networks, on-chip interconnects, communication protocols, routing and communication algorithms, and communication aspects of parallel and distributed algorithms. In total 15 papers were submitted to this topic of which we selected the 7 strongest papers. We grouped the papers in two sessions of 3 papers each and one paper was selected for the best paper session. We noted a number of papers dealing with changing topologies, stability and forwarding convergence in source routing based cluster interconnect network architectures. We grouped these for the first session. The authors of the paper titled: “Implementing a Change Assimilation Mechanism for Source Routing Interconnects” propose a mechanism that can obtain the new topology, and compute and distribute a new set of fabric paths to the source routed network end points to minimize the impact on the forwarding service. The article entitled “Dependability Analysis of a Fault-tolerant Network Reconfiguration Strateg” reports on a case study analyzing the effects of network size, mean time to node failure, mean time to node repair, mean time to network repair and coverage of the failure when using a 2D mesh network with a fault-tolerant mechanism (similar to the one used in the BlueGene/L system), that is able to remove rows and/or columns in the presence of failures. The last paper in this session: “RecTOR: A New and Efficient Method for Dynamic Network Reconfiguration” presents a new dynamic reconfiguration method, that ensures deadlock-freedom during the reconfiguration without causing performance degradation such as increased latency or decreased throughput. The second session groups 3 papers presenting methods, protocols and architectures that enhance capacities in the Networks. The paper titled: “NIC-assisted Cache-Efficient Receive Stack for Message Passing over Ethernet” presents the addition of multiqueue support in the Open-MX receive stack so that all incoming packets for the same process are treated on the same core. It then introduces the idea of binding the target end process near its dedicated receive queue. In general this multiqueue receive stack performs better than the original single queue stack, especially on large communication patterns where multiple processes are involved and manual binding is difficult. The authors of: “A Multipath Fault-Tolerant Routing Method for High-Speed Interconnection Networks” focus on the problem of fault tolerance for high-speed interconnection networks by designing a fault tolerant routing method. The goal was to solve a certain number of link and node failures, considering its impact, and occurrence probability. Their experiments show that their method allows applications to successfully finalize their execution in the presence of several faults, with an average performance value of 97% with respect to the fault-free scenarios. The paper: “Hardware implementation study of the Self-Clocked Fair Queuing Credit Aware (SCFQ-CA) and Deficit Round Robin Credit Aware (DRR-CA) scheduling algorithms” proposes specific implementations of the two schedulers taking into account the characteristics of current high-performance networks. A comparison is presented on the complexity of these two algorithms in terms of silicon area and computation delay. Finally we selected one paper for the special paper session: “A Case Study of Communication Optimizations on 3D Mesh Interconnects”. In this paper the authors present topology aware mapping as a technique to optimize communication on 3-dimensional mesh interconnects and hence improve performance. Results are presented for OpenAtom on up to 16,384 processors of Blue Gene/L, 8,192 processors of Blue Gene/P and 2,048 processors of Cray XT3.

The structure of ice crystallized from supercooled water

NASA Astrophysics Data System (ADS)

Murray, Benjamin

2013-03-01

The freezing of water to ice is fundamentally important to fields as diverse as cloud formation to cryopreservation. Traditionally ice was thought to exist in two well-crystalline forms: stable hexagonal ice and metastable cubic ice. It has recently been shown, using X-ray diffraction data, that ice which crystallizes homogeneously and heterogeneously from supercooled water is neither of these phases. The resulting ice is disordered in one dimension and therefore possesses neither cubic nor hexagonal symmetry and is instead composed of randomly stacked layers of cubic and hexagonal sequences. We refer to this ice as stacking-disordered ice I (ice Isd) . This result is consistent with a number of computational studies of the crystallization of water. Review of the literature reveals that almost all ice that has been identified as cubic ice in previous diffraction studies and generated in a variety of ways was most likely stacking-disordered ice I with varying degrees of stacking disorder, which raises the question of whether cubic ice exists. New data will be presented which shows significant stacking disorder (or stacking faults on the order of 1 in every 100 layers of ice Ih) in droplets which froze heterogeneously as warm as 257 K. The identification of stacking-disordered ice from heterogeneous ice nucleation supports the hypothesis that the structure of ice that initially crystallises from supercooled water is stacking-disordered ice I, independent of nucleation mechanism, but this ice can relax to the stable hexagonal phase subject to the kinetics of recrystallization. The formation and persistence of stacking disordered ice in the Earth's atmosphere will also be discussed. Funded by the European Research Council (FP7, 240449 ICE)

The core structure and recombination energy of a copper screw dislocation: a Peierls study

DOE PAGES

Szajewski, B. A.; Hunter, A.; Beyerlein, I. J.

2017-05-19

The recombination process of dislocations is central to cross-slip, and transmission through Σ3 grain boundaries among other fundamental plastic deformation processes. Despite its importance, a detailed mechanistic understanding remains lacking. In this paper, we apply a continuous dislocation model, inspired by Peierls and Nabarro, complete with an ab-initio computed -surface and continuous units of infinitesimal dislocation slip, towards computing the stress-dependent recombination path of both an isotropic and anisotropic Cu screw dislocation. Under no applied stress, our model reproduces the stacking fault width between Shockley partial dislocations as predicted by discrete linear elasticity. Upon application of a compressive Escaig stress,more » the two partial dislocations coalesce to a separation of ~|b|. Upon increased loading the edge components of each partial dislocation recede, leaving behind a spread Peierls screw dislocation, indicating the recombined state. We demonstrate that the critical stress required to achieve the recombined state is independent of the shear modulus. Rather the critical recombination stress depends on an energy difference between an unstable fault energy (γτ) and the intrinsic stacking fault energy (γτ-γisf). We report recombination energies of ΔW = 0.168 eV/Å and ΔW = 0.084 eV/Å, respectively, for the Cu screw dislocation within isotropic and anisotropic media. Finally, we develop an analytic model which provides insight into our simulation results which compare favourably with other (similar) models.« less

The core structure and recombination energy of a copper screw dislocation: a Peierls study

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

Szajewski, B. A.; Hunter, A.; Beyerlein, I. J.

The recombination process of dislocations is central to cross-slip, and transmission through Σ3 grain boundaries among other fundamental plastic deformation processes. Despite its importance, a detailed mechanistic understanding remains lacking. In this paper, we apply a continuous dislocation model, inspired by Peierls and Nabarro, complete with an ab-initio computed -surface and continuous units of infinitesimal dislocation slip, towards computing the stress-dependent recombination path of both an isotropic and anisotropic Cu screw dislocation. Under no applied stress, our model reproduces the stacking fault width between Shockley partial dislocations as predicted by discrete linear elasticity. Upon application of a compressive Escaig stress,more » the two partial dislocations coalesce to a separation of ~|b|. Upon increased loading the edge components of each partial dislocation recede, leaving behind a spread Peierls screw dislocation, indicating the recombined state. We demonstrate that the critical stress required to achieve the recombined state is independent of the shear modulus. Rather the critical recombination stress depends on an energy difference between an unstable fault energy (γτ) and the intrinsic stacking fault energy (γτ-γisf). We report recombination energies of ΔW = 0.168 eV/Å and ΔW = 0.084 eV/Å, respectively, for the Cu screw dislocation within isotropic and anisotropic media. Finally, we develop an analytic model which provides insight into our simulation results which compare favourably with other (similar) models.« less

Long-range empirical potential model: extension to hexagonal close-packed metals.

PubMed

Dai, Y; Li, J H; Liu, B X

2009-09-23

An n-body potential is developed and satisfactorily applied to hcp metals, Co, Hf, Mg, Re, Ti, and Zr, in the form of long-range empirical potential. The potential can well reproduce the lattice constants, c/a ratios, cohesive energies, and the bulk modulus for their stable structures (hcp) and metastable structures (bcc or fcc). Meanwhile, the potential can correctly predict the order of structural stability and distinguish the energy differences between their stable hcp structure and other structures. The energies and forces derived by the potential can smoothly go to zero at cutoff radius, thus completely avoiding the unphysical behaviors in the simulations. The developed potential is applied to study the vacancy, surface fault, stacking fault and self-interstitial atom in the hcp metals. The calculated formation energies of vacancy and divacancy and activation energies of self-diffusion by vacancies are in good agreement with the values in experiments and in other works. The calculated surface energies and stacking fault energies are also consistent with the experimental data and those obtained in other theoretical works. The calculated formation energies generally agree with the results in other works, although the stable configurations of self-interstitial atoms predicted in this work somewhat contrast with those predicted by other methods. The proposed potential is shown to be relevant for describing the interaction of bcc, fcc and hcp metal systems, bringing great convenience for researchers in constructing potentials for metal systems constituted by any combination of bcc, fcc and hcp metals.

Rayleigh Wave Phase Velocities in Alaska from Ambient Noise Tomography

NASA Astrophysics Data System (ADS)

Pepin, K. S.; Li, A.; Yao, Y.

2016-12-01

We have analyzed ambient noise data recorded at 136 broadband stations from the USArray Transportable Array and other permanent seismic networks in Alaska and westernmost Canada. Daily cross-correlations are obtained using vertical component seismograms and are stacked to form a single trace for each station pair. Rayleigh wave signals are extracted from the stacked traces and are used to calculate phase velocities in the Alaska region. Preliminary phase velocity maps show similar trends to those from previous studies, but also yield new anomalies given the wider geographical range provided by the Transportable Array. At short periods (6-12s), a high velocity anomaly is observed directly northeast of the Fairweather-Queen Charlotte fault, and a high velocity trend appears in the eastern Yukon terrane between the Denali and Tintina fault, probably reflecting mafic igneous crustal rocks. Significantly slow anomalies are present at the Prince William Sound, Cook Inlet, and the basins in southwestern and central Alaska, indicating sediment effects. The slow anomalies gradually shift to southeastern and south-central Alaska with increasing period (up to 40s), corresponding to the Wrangell volcano belt and the volcano arc near Cook Inlet. A broad high-velocity zone is also observed in central Alaska to the north of the Denali fault at long periods (30-40s). The Yakutat terrane is characterized as a high-velocity anomaly from period 14s to 25s but not imaged at longer periods due to poor resolution.

Lacustrine fan delta deposition alongside intrabasinal structural highs in rift basins: an example from the Early Cretaceous Jiuquan Basin, Northwestern China

NASA Astrophysics Data System (ADS)

Zhang, Chengcheng; Muirhead, James D.; Wang, Hua; Chen, Si; Liao, Yuantao; Lu, Zongsheng; Wei, Jun

2018-01-01

Development of fan deltas alongside intrabasinal structural highs has been overlooked compared to those forming on basin margins. However, these fan deltas may provide important clues regarding the tectonic and climatic controls on deposition during rift development. This paper documents fan delta deposition alongside an intrabasinal structural high within the Early Cretaceous Xiagou Formation of the Jiuquan Basin, China, using subsurface geological and geophysical data. Deposits observed in drill core support fan delta deposition occurring almost exclusively through subaerial and subaqueous gravity flows. Subsurface mapping reveals a consistent decrease in the areal extent of fan deltas from lowstand to highstand system tracts, suggesting that deposition alongside the structural high is sensitive to lake-level changes. The temporal and spatial distribution of the fan deltas display retrogradational stacking patterns, where fan deltas exhibit a decreasing lateral extent up-sequence until fan delta deposition terminated and was replaced by deposition of fine-grained lacustrine deposits. The retrogradational stacking patterns observed alongside the intrabasinal structural high are not observed in fan deltas along the basin margin in the lower parts of the Xiagou Formation. Subsidence profiles also show differential subsidence across the basin during the earliest stages of this formation, likely resulting from border fault movements. These data suggest that non-uniform stacking patterns in the lower parts of the Xiagou Formation reflect basin-scale tectonic movements as the dominant control on synrift deposition patterns. However, later stages of Xiagou Formation deposition were characterized by uniform subsidence across the basin, and uniform retrogradational stacking patterns for fan deltas alongside the intrabasinal structural high and border fault. These observations suggest that basin-scale tectonic movements played a relatively limited role in controlling sediment deposition, and imply a potential change to regional-scale processes affecting fan delta deposition during later synrift stages. Climate change is favored here as the region-scale control on the uniform retrogradational fan delta stacking patterns. This assertion is supported by pollen assemblages, isotope signatures, and organic geochemical analyses, which collectively suggest a change from a humid to semi-arid environment during later synrift stages. We suggest that variations in stacking patterns between different fan delta systems can provide insights into the basin- and regional-scale processes that control rift basin deposition.

Seismic reflection images of shallow faulting, northernmost Mississippi embayment, north of the New Madrid seismic zone

USGS Publications Warehouse

McBride, J.H.; Nelson, W.J.

2001-01-01

High-resolution seismic reflection surveys document tectonic faults that displace Pleistocene and older strata just beyond the northeast termination of the New Madrid seismic zone, at the northernmost extent of the Mississippi embayment. These faults, which are part of the Fluorspar Area fault complex in southeastern Illinois, are directly in line with the northeast-trending seismic zone. The reflection data were acquired using an elastic weight-drop source recorded to 500 msec by a 48-geophone array (24-fold) with a 10-ft (??3.0m) station interval. Recognizable reflections were recorded to about 200 msec (100-150 m). The effects of multiple reflections, numerous diffractions, low apparent velocity (i.e., steeply dipping) noise, and the relatively low-frequency content of the recorded signal provided challenges for data processing and interpreting subtle fault offsets. Data processing steps that were critical to the detection of faults included residual statics, post-stack migration, deconvolution, and noise-reduction filtering. Seismic migration was crucial for detecting and mitigating complex fault-related diffraction patterns, which produced an apparent 'folding' of reflectors on unmigrated sections. Detected individual offsets of shallow reflectors range from 5 to 10 m for the top of Paleozoic bedrock and younger strata. The migrated sections generally indicate vertical to steeply dipping normal and reverse faults, which in places outline small horsts and/or grabens. Tilting or folding of stratal reflectors associated with faulting is also locally observed. At one site, the observed faulting is superimposed over a prominent antiformal structure, which may itself be a product of the Quaternary deformation that produced the steep normal and reverse faults. Our results suggest that faulting of the Paleozoic bedrock and younger sediments of the northern Mississippi embayment is more pervasive and less localized than previously thought.

Fluorescence, electrophoretic and chromatographic fingerprints of herbal medicines and their comparative chemometric analysis.

PubMed

Mazina, Jekaterina; Vaher, Merike; Kuhtinskaja, Maria; Poryvkina, Larisa; Kaljurand, Mihkel

2015-07-01

The aim of the present study was to compare the polyphenolic compositions of 47 medicinal herbs (HM) and four herbal tea mixtures from Central Estonia by rapid, reliable and sensitive Spectral Fluorescence Signature (SFS) method in a front face mode. The SFS method was validated for the main identified HM representatives including detection limits (0.037mgL(-1) for catechin, 0.052mgL(-1) for protocatechuic acid, 0.136mgL(-1) for chlorogenic acid, 0.058mgL(-1) for syringic acid and 0.256mgL(-1) for ferulic acid), linearity (up to 5.0-15mgL(-1)), intra-day precision (RSDs=6.6-10.6%), inter-day precision (RSDs=6.4-13.8%), matrix effect (-15.8 to +5.5) and recovery (85-107%). The phytochemical fingerprints were differentiated by parallel factor analysis (PARAFAC) combined with hierarchical cluster analysis (CA) and principal component analysis (PCA). HM were clustered into four main clusters (catechin-like, hydroxycinnamic acid-like, dihydrobenzoic acid-like derivatives containing HM and HM with low/very low content of fluorescent constituents) and 14 subclusters (rich, medium, low/very low contents). The average accuracy and precision of CA for validation HM set were 97.4% (within 85.2-100%) and 89.6%, (within 66.7-100%), respectively. PARAFAC-PCA/CA has improved the analysis of HM by the SFS method. The results were verified by two separation methods CE-DAD and HPLC-DAD-MS also combined with PARAFAC-PCA/CA. The SFS-PARAFAC-PCA/CA method has potential as a rapid and reliable tool for investigating the fingerprints and predicting the composition of HM or evaluating the quality and authenticity of different standardised formulas. Moreover, SFS-PARAFAC-PCA/CA can be implemented as a laboratory and/or an onsite method. Copyright © 2015 Elsevier B.V. All rights reserved.

Effect of cardiovascular and muscular endurance is not associated with stress fracture incidence in female military recruits: a 12-month follow up study.

PubMed

Scheinowitz, Mickey; Yanovich, Ran; Sharvit, Nurit; Arnon, Michal; Moran, Daniel S

2017-05-01

Stress fracture (SF) is a common injury among military recruits, especially among women, during the army basic training (ABT). The purpose of this study was to evaluate the effects of health habits and physical activity before recruitment on the fitness level and the incidence of SF during the 4-month ABT. We screened 226 female recruit volunteers (weight: 60.5±10 kg; height: 163±6 cm) from an integrated combat unit and 124 aged-matched female controls (weight: 57.0±8.3 kg, height 162±7 cm) from a non-combat unit. A self-report questionnaire on their habits pertaining to smoking, physical activity, and orthopedic injuries prior to recruitment were analyzed in relation to the incidences of SF during ABT. Aerobic fitness was similar between the two groups. The overall incidence of SFs was 10.2%. Physical training prior to recruitment had no significant effect on the incidence of SF during ABT (11.7% vs. 9.6% in those who trained and did not train before recruitment, respectively) (Odds ratio, OR)=1.24, p=0.236). Nearly 42% of the female recruits smoked regularly, and the incidence of SFs among smokers was 10.5% compared with 9.9% among the non-smokers (OR=1.07, p=0.188). The overall incidence of SFs 12 months after recruitment was 1.78%. The use of contraceptive medication did not affect the incidence of SF: 10.0% among prior-trained vs. 6.4% in non-prior trained (p>0.05) recruits. SFs were not correlated to these variables at the end of the ABT program and 16 months after recruitment. In the present female cohort, physical activity prior to recruitment had no protective effect against SF during or after ABT. The incidence of SFs during the 12-month period after ABT was negligible.

Effect of ambient management interventions on the production and physiological performance of lactating Sahiwal cattle during hot dry summer.

PubMed

Ahmad, Mehtab; Bhatti, Jalees Ahmed; Abdullah, Muhammad; Javed, Khalid; Ali, Mehboob; Rashid, Ghazanfar; Uddin, Rafi; Badini, Ali Hassan; Jehan, Mudassar

2018-02-24

During summer season, increase in the environmental temperature in the subtropical regions of Pakistan is negatively affecting the performance of dairy animals. The study objective was to determine the effect of ambient management (90 days) on productive and physiological performance of lactating Sahiwal cows during hot dry summer season. Fifteen lactating cows during the early lactation stage, having similar parity (3), daily milk production (6.2 l), were randomly allocated to three treatments, 5 cows each, i.e., (1) kept under roof shade only, (2) provision of fans along with roof shade, and (3) provision of roof shade, fans, and sprinklers designated as S, SF, and SFS, respectively. The fans were of 360-rpm capacity and showers were on for 40 min after every 90-min interval from 9:00 to 21:00 h. THI values were 81.1 ± 0.7, 80.5 ± 0.7, and 77.7 ± 0.4 under S, SF, and SFS treatments, respectively. Cows were milked twice daily. Respiration rate (RR) and rectal temperature (RT) data were collected at 14:00 h on daily basis. The daily milk production was significantly higher in cows under SF (7.9 ± 1 kg) followed by SFS (6.9 ± 1.2 kg) and S (6.1 ± 0.9 kg) treatments. The mean RT (101.0 ± 0.04 °F) was significantly lower in cows under SFS than that on SF and S treatments and similarly mean RR was also lower (21.2 breaths/min) in cows under SFS followed by SF and S treatments. It is concluded that milk production and physiological performance in Sahiwal cows can be improved by fan-assisted ventilation during hot dry summer in subtropical regions.

The San Gabriel mountains bright reflective zone: Possible evidence of young mid-crustal thrust faulting in southern California

USGS Publications Warehouse

Ryberg, T.; Fuis, G.S.

1998-01-01

During the Los Angeles Region Seismic Experiment (LARSE), a reflection/retraction survey was conducted along a line extending northeastward from Seal Beach, California, to the Mojave Desert, crossing the Los Angeles basin and San Gabriel Mountains. Shots and receivers were spaced most densely through the San Gabriel Mountains for the purpose of obtaining a combined reflection and refraction image of the crust in that area. A stack of common-midpoint (CMP) data reveals a bright reflective zone, 1-s thick, that dominates the stack and extends throughout most of the mid-crust of the San Gabriel Mountains. The top of this zone ranges in depth from 6 s (???18-km depth) in the southern San Gabriel Mountains to 7.5 s (???23-km depth) in the northern San Gabriel Mountains. The zone bends downward beneath the surface traces of the San Gabriel and San Andreas faults. It is brightest between these two faults, where it is given the name San Gabriel Mountains 'bright spot' (SGMBS). and becomes more poorly defined south of the San Gabriel fault and north of the San Andreas fault. The polarity of the seismic signal at the top of this zone is clearly negative, and our analysis suggests it represents a negative velocity step. The magnitude of the velocity step is approximately 1.7 km/s. In at least one location, an event with positive polarity can be observed 0.2 s beneath the top of this zone, indicating a thickness of the order of 500 m for the low-velocity zone at this location. Several factors combine to make the preferred interpretation of this bright reflective zone a young fault zone, possibly a 'master' decollement. (1) It represents a significant velocity reduction. If the rocks in this zone contain fluids, such a reduction could be caused by a differential change in fluid pressure between the caprock and the rocks in the SGMBS; near-lithostatic fluid pressure is required in the SGMBS. Such differential changes are believed to occur in the neighborhood of active fault zones, where 'fault-valve' action has been postulated. Less likely alternative explanations for this velocity reduction include the presence of magma and a change in composition to serpentinite or metagraywacke. (2) It occurs at or near the brittle-ductile transition, at least in the southern San Gabriel Mountains, a possible zone of concentrated shear. (3) A thin reflection rising from its top in the southern San Gabriel Mountains projects to the hypocenter of the 1987 M 5.9 Whittier Narrows earthquake, a blind thrust-fault earthquake with one focal plane subparallel to the reflection. Alternatively, one could argue that the bends or disruptions in the reflective zone seen at the San Gabriel and San Andreas faults are actually offsets and that the reflective zone is therefore an older feature, possibly an older fault zone. ?? 1998 Elsevier Science B.V. All rights reserved.

Evaluation of a Botulinum Toxoid, Type B, for the Prevention of Shaker Foal Syndrome,

DTIC Science & Technology

1981-11-06

available at this time, To be published in The Proceeding of the 27ta Annual Meeting of the American Association of Equine Practitioners, Nov 28-Dec 2...1981. 19. KEY WORDS (Continu, on reveres aide If necaeewy and Identify by block number) :.~ Toxoid Toxicoinfection Horse BouimPassive Transfer...SFS) is a highly fatal taxicoinfectious form of botulism occurring most often in horses 2 to 8 weeks of age. Clinically SFS is an acute neuromuscular

Configuration of twins in glass-embedded silver nanoparticles of various origin

NASA Astrophysics Data System (ADS)

Hofmeister, H.; Dubiel, M.; Tan, G. L.; Schicke, K.-D.

2005-09-01

Structural characterization using high resolution electron microscopy and diffractogram analysis of silver nanoparticles embedded in glass by various routes of fabrication was aimed at revealing the characteristic features of twin faults occuring in such particles. Nearly spherical silver nanoparticles well below 10 nm size embedded in commercial soda-lime silicate float glass have been fabricated either by silver/sodium ion exchange or by Ag+ ion implantation. Twinned nanoparticles, besides single crystalline species, have frequently been observed for both fabrication routes, mainly at sizes above 5 nm, but also at smaller sizes, even around 1 nm. The variety of particle forms comprises single crystalline particles of nearly cuboctahedron shape, particles containing single twin faults, and multiply twinned particles containing parallel twin lamellae, or cyclic twinned segments arranged around axes of fivefold symmetry. Parallel twinning is distinctly favoured by ion implantation whereas cyclic twinning preferably occurs upon ion exchange processing. Regardless of single or repeated twinning, parallel or cyclic twin arrangement, one may classify simple twin faults of regular atomic configuration and compound twin faults whose irregular configuration consists of additional planar defects like associated stacking faults or secondary twin faults. Besides, a particular superstructure composed of parallel twin lamellae of only three atomic layers thickness is observed.

The use of Stress Tensor Discriminator Faults in separating heterogeneous fault-slip data with best-fit stress inversion methods. II. Compressional stress regimes

NASA Astrophysics Data System (ADS)

Tranos, Markos D.

2018-02-01

Synthetic heterogeneous fault-slip data as driven by Andersonian compressional stress tensors were used to examine the efficiency of best-fit stress inversion methods in separating them. Heterogeneous fault-slip data are separated only if (a) they have been driven by stress tensors defining 'hybrid' compression (R < 0.375), and their σ1 axes differ in trend more than 30° (R = 0) or 50° (R = 0.25). Separation is not feasible if they have been driven by (b) 'real' (R ≥ 0.375) and 'hybrid' compressional tensors having their σ1 axes in similar trend, or (c) 'real' compressional tensors. In case (a), the Stress Tensor Discriminator Faults (STDF) exist in more than 50% of the activated fault slip data while in cases (b) and (c), they exist in percentages of much less than 50% or not at all. They constitute a necessary discriminatory tool for the establishment and comparison of two compressional stress tensors determined by a best-fit stress inversion method. The best-fit stress inversion methods are not able to determine more than one 'real' compressional stress tensor, as far as the thrust stacking in an orogeny is concerned. They can only possibly discern stress differences in the late-orogenic faulting processes, but not between the main- and late-orogenic stages.

Effect of filter type on the statistics of energy transfer between resolved and subfilter scales from a-priori analysis of direct numerical simulations of isotropic turbulence

NASA Astrophysics Data System (ADS)

Buzzicotti, M.; Linkmann, M.; Aluie, H.; Biferale, L.; Brasseur, J.; Meneveau, C.

2018-02-01

The effects of different filtering strategies on the statistical properties of the resolved-to-subfilter scale (SFS) energy transfer are analysed in forced homogeneous and isotropic turbulence. We carry out a-priori analyses of the statistical characteristics of SFS energy transfer by filtering data obtained from direct numerical simulations with up to 20483 grid points as a function of the filter cutoff scale. In order to quantify the dependence of extreme events and anomalous scaling on the filter, we compare a sharp Fourier Galerkin projector, a Gaussian filter and a novel class of Galerkin projectors with non-sharp spectral filter profiles. Of interest is the importance of Galilean invariance and we confirm that local SFS energy transfer displays intermittency scaling in both skewness and flatness as a function of the cutoff scale. Furthermore, we quantify the robustness of scaling as a function of the filtering type.

Accurate calculation of field and carrier distributions in doped semiconductors

NASA Astrophysics Data System (ADS)

Yang, Wenji; Tang, Jianping; Yu, Hongchun; Wang, Yanguo

2012-06-01

We use the numerical squeezing algorithm(NSA) combined with the shooting method to accurately calculate the built-in fields and carrier distributions in doped silicon films (SFs) in the micron and sub-micron thickness range and results are presented in graphical form for variety of doping profiles under different boundary conditions. As a complementary approach, we also present the methods and the results of the inverse problem (IVP) - finding out the doping profile in the SFs for given field distribution. The solution of the IVP provides us the approach to arbitrarily design field distribution in SFs - which is very important for low dimensional (LD) systems and device designing. Further more, the solution of the IVP is both direct and much easy for all the one-, two-, and three-dimensional semiconductor systems. With current efforts focused on the LD physics, knowing of the field and carrier distribution details in the LD systems will facilitate further researches on other aspects and hence the current work provides a platform for those researches.

Effect of solid state fermentation of peanut shell on its dye adsorption performance.

PubMed

Liu, Jiayang; Wang, Zhixin; Li, Hongyan; Hu, Changwei; Raymer, Paul; Huang, Qingguo

2018-02-01

The effect of solid state fermentation of peanut shell to produce beneficial laccase and on its dye adsorption performance was evaluated. The resulting residues from solid fermentation were tested as sorbents (designated as SFs) in comparison to the raw peanut shell (RPS) for their ability to remove crystal violet from water. The fermentation process reduced the adsorption capacity (q m ) of SF by about 50%, and changed the sorptive behavior when compared to the RPS. The Langmuir model was more suitable for fitting adsorption by SFs. q m was positively correlated with the surface area of peanut shell, but negatively correlated with acid detergent lignin content. For all the sorbents tested, the process was spontaneous and endothermic, and the adsorption followed both the pseudo 1st and 2nd order kinetic model and the film diffusion model. Dye adsorption efficiency was greater when SFs dispersed solution than when placed in filter packets. Copyright © 2017 Elsevier Ltd. All rights reserved.

Selective visual working memory in fear of spiders: the role of automaticity and material-specificity.

PubMed

Reinecke, Andrea; Becker, Eni S; Rinck, Mike

2009-12-01

Following cognitive models of anxiety, biases occur if threat processing is automatic versus strategic. Therefore, most of these models predict attentional bias, but not explicit memory bias. We suggest dividing memory into the highly automatic working memory (WM) component versus long-term memory when investigating bias in anxiety. WM for threat has rarely been investigated although its main function is stimulus monitoring, particularly important in anxiety. We investigated WM for spiders in spider fearfuls (SFs) versus non-anxious controls (NACs). In Experiment 1 (23 SFs/24 NACs), we replicated an earlier WM study, reducing strategic processing options. This led to stronger group differences and, thus, clearer WM threat biases. There were no group differences in Experiment 2 (18 SFs/19 NACs), using snakes instead of spiders to test whether WM biases are material-specific. This article supports cognitive models of anxiety in that biases are more likely to occur when reducing strategic processing. However, it contradicts the assumption that explicit memory biases are not characteristic of anxiety.

First-principles Calculations of Twin-boundary and Stacking-fault Energies in Magnesium

DTIC Science & Technology

2010-01-01

Vasu KI. Scripta Mater 1969;3:927. [7] Couret A, Caillard D. Acta Metall 1985;33:1455. [8] Fleischer RL . Scripta Mater 1986;20:223. [9] Liu ZK. J...Jackson KA, Pederson MR, Singh DJ, Fiolhais C. Phys Rev B 1992;46:6671. [17] Kresse G, Furthmuller J. Phys Rev B 1996;54:11169. [18] Kresse G, Joubert

Expansion of Shockley stacking fault observed by scanning electron microscope and partial dislocation motion in 4H-SiC

NASA Astrophysics Data System (ADS)

Yamashita, Yoshifumi; Nakata, Ryu; Nishikawa, Takeshi; Hada, Masaki; Hayashi, Yasuhiko

2018-04-01

We studied the dynamics of the expansion of a Shockley-type stacking fault (SSF) with 30° Si(g) partial dislocations (PDs) using a scanning electron microscope. We observed SSFs as dark lines (DLs), which formed the contrast at the intersection between the surface and the SSF on the (0001) face inclined by 8° from the surface. We performed experiments at different electron-beam scanning speeds, observing magnifications, and irradiation areas. The results indicated that the elongation of a DL during one-frame scanning depended on the time for which the electron beam irradiated the PD segment in the frame of view. From these results, we derived a formula to express the velocity of the PD using the elongation rate of the corresponding DL during one-frame scanning. We also obtained the result that the elongation velocity of the DL was not influenced by changing the direction in which the electron beam irradiates the PD. From this result, we deduced that the geometrical kink motion of the PD was enhanced by diffusing carriers that were generated by the electron-beam irradiation.

Revisiting the Al/Al 2O 3 Interface: Coherent Interfaces and Misfit Accommodation

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

Pilania, Ghanshyam; Thijsse, Barend J.; Hoagland, Richard G.

We report the coherent and semi-coherent Al/α-Al 2O 3 interfaces using molecular dynamics simulations with a mixed, metallic-ionic atomistic model. For the coherent interfaces, both Al-terminated and O-terminated nonstoichiometric interfaces have been studied and their relative stability has been established. To understand the misfit accommodation at the semi-coherent interface, a 1-dimensional (1D) misfit dislocation model and a 2-dimensional (2D) dislocation network model have been studied. For the latter case, our analysis reveals an interface dislocation structure with a network of three sets of parallel dislocations, each with pure-edge character, giving rise to a pattern of coherent and stacking-fault-like regions atmore » the interface. Structural relaxation at elevated temperatures leads to a further change of the dislocation pattern, which can be understood in terms of a competition between the stacking fault energy and the dislocation interaction energy at the interface. In conclusion, our results are expected to serve as an input for the subsequent dislocation dynamics models to understand and predict the macroscopic mechanical behavior of Al/α-Al 2O 3 composite heterostructures.« less

The shear instability energy: a new parameter for materials design?

NASA Astrophysics Data System (ADS)

Kanani, M.; Hartmaier, A.; Janisch, R.

2017-10-01

Reliable and predictive relationships between fundamental microstructural material properties and observable macroscopic mechanical behaviour are needed for the successful design of new materials. In this study we establish a link between physical properties that are defined on the atomic level and the deformation mechanisms of slip planes and interfaces that govern the mechanical behaviour of a metallic material. To accomplish this, the shear instability energy Γ is introduced, which can be determined via quantum mechanical ab initio calculations or other atomistic methods. The concept is based on a multilayer generalised stacking fault energy calculation and can be applied to distinguish the different shear deformation mechanisms occurring at TiAl interfaces during finite-temperature molecular dynamics simulations. We use the new parameter Γ to construct a deformation mechanism map for different interfaces occurring in this intermetallic. Furthermore, Γ can be used to convert the results of ab initio density functional theory calculations into those obtained with an embedded atom method type potential for TiAl. We propose to include this new physical parameter into material databases to apply it for the design of materials and microstructures, which so far mainly relies on single-crystal values for the unstable and stable stacking fault energy.

Nitrogen in chromium-manganese stainless steels: a review on the evaluation of stacking fault energy by computational thermodynamics.

PubMed

Mosecker, Linda; Saeed-Akbari, Alireza

2013-06-01

Nitrogen in austenitic stainless steels and its effect on the stacking fault energy (SFE) has been the subject of intense discussions in the literature. Until today, no generally accepted method for the SFE calculation exists that can be applied to a wide range of chemical compositions in these systems. Besides different types of models that are used from first-principle to thermodynamics-based approaches, one main reason is the general lack of experimentally measured SFE values for these steels. Moreover, in the respective studies, not only different alloying systems but also different domains of nitrogen contents were analyzed resulting in contrary conclusions on the effect of nitrogen on the SFE. This work gives a review on the current state of SFE calculation by computational thermodynamics for the Fe-Cr-Mn-N system. An assessment of the thermodynamic effective Gibbs free energy, [Formula: see text], model for the [Formula: see text] phase transformation considering existing data from different literature and commercial databases is given. Furthermore, we introduce the application of a non-constant composition-dependent interfacial energy, б γ / ε , required to consider the effect of nitrogen on SFE in these systems.

Nitrogen in chromium–manganese stainless steels: a review on the evaluation of stacking fault energy by computational thermodynamics

PubMed Central

Mosecker, Linda; Saeed-Akbari, Alireza

2013-01-01

Nitrogen in austenitic stainless steels and its effect on the stacking fault energy (SFE) has been the subject of intense discussions in the literature. Until today, no generally accepted method for the SFE calculation exists that can be applied to a wide range of chemical compositions in these systems. Besides different types of models that are used from first-principle to thermodynamics-based approaches, one main reason is the general lack of experimentally measured SFE values for these steels. Moreover, in the respective studies, not only different alloying systems but also different domains of nitrogen contents were analyzed resulting in contrary conclusions on the effect of nitrogen on the SFE. This work gives a review on the current state of SFE calculation by computational thermodynamics for the Fe–Cr–Mn–N system. An assessment of the thermodynamic effective Gibbs free energy, , model for the phase transformation considering existing data from different literature and commercial databases is given. Furthermore, we introduce the application of a non-constant composition-dependent interfacial energy, бγ/ε, required to consider the effect of nitrogen on SFE in these systems. PMID:27877573

Revisiting the Al/Al 2O 3 Interface: Coherent Interfaces and Misfit Accommodation

DOE PAGES

Pilania, Ghanshyam; Thijsse, Barend J.; Hoagland, Richard G.; ...

2014-03-27

We report the coherent and semi-coherent Al/α-Al 2O 3 interfaces using molecular dynamics simulations with a mixed, metallic-ionic atomistic model. For the coherent interfaces, both Al-terminated and O-terminated nonstoichiometric interfaces have been studied and their relative stability has been established. To understand the misfit accommodation at the semi-coherent interface, a 1-dimensional (1D) misfit dislocation model and a 2-dimensional (2D) dislocation network model have been studied. For the latter case, our analysis reveals an interface dislocation structure with a network of three sets of parallel dislocations, each with pure-edge character, giving rise to a pattern of coherent and stacking-fault-like regions atmore » the interface. Structural relaxation at elevated temperatures leads to a further change of the dislocation pattern, which can be understood in terms of a competition between the stacking fault energy and the dislocation interaction energy at the interface. In conclusion, our results are expected to serve as an input for the subsequent dislocation dynamics models to understand and predict the macroscopic mechanical behavior of Al/α-Al 2O 3 composite heterostructures.« less

Mechanical properties and phase stability of monoborides using density functional theory calculations

NASA Astrophysics Data System (ADS)

Kim, Hyojung; Trinkle, Dallas R.

2017-06-01

We compute the structural energies, elastic constants, and stacking fault energies, and investigate the phase stability of monoborides with different compositions (" close=")X1-x 1Xx2)">X1-x 1Xx2B (X =Ti/Fe/Mo/Nb/V ) using density functional theory in order to search for Ti monoborides with improved mechanical properties. Our computed Young's modulus and Pugh's modulus ratio, which correlate with stiffness and toughness, agree well with predictions from Vegard's law with the exceptions of mixed monoborides containing Mo and Fe. Among all the monoborides considered in this paper, TiB has the smallest Pugh's ratio, which suggests that the addition of solutes can improve the toughness of a Ti matrix. When X1B and X2B are respectively most stable in the B27 and Bf structures, the mixed monoborides (X0.51X0.52)B , mixed (Ti0.5Mo0.5 )B and mixed (Ti0.5V0.5 )B have a higher Young's modulus, a higher Pugh's ratio, and a smaller stacking fault energy than TiB. We also construct phase diagrams and find large solubility limits for solid solutions containing Ti compared to those containing Fe.

Influence of stacking fault energy on defect structures and microhardness of Cu and Cu alloys.

PubMed

Tao, Jing-Mei; Li, Dai; Li, Cai-Ju; Zhu, Xin-Kun

2011-12-01

Nano-structured Cu, Cu-10 wt%Zn and Cu-2 wt%Al with stacking fault energies (SFE) of 78, 35 and 37 mJ/m2, respectively, were preprared through high energy ball milling. X-ray diffraction and Vickers microharness test were used to investigate the microstructure and microhardness of all the samples after ball milling. X-ray diffraction measurements indicate that lower SFEs lead both to decrease in grain size and increase in microstrain, dislocation and twin densities for Cu-10 wt%Zn and Cu-2 wt%Al after 5 h of ball milling. The microhardnesses of Cu-10 wt%Zn and Cu-2 wt%Al reach to nearly the same values of 2.5 GPa after 5 h of ball milling, which is higher than that of Cu of 2.0 GPa. Two factors are considered to contribute to the finer grian size and higher microhardness of Cu-10 wt%Zn and Cu-2 wt%Al: (1) the effect of solid solution strengthening, which result in the interaction of solute atoms with screw dislocations; (2) the introduction of deformation twins during ball milling process by the decreasing of SFE, which results in the grain refinement.

Effect of carbon tetrabromide on the morphology of GaAs nanowires.

PubMed

Salehzadeh, O; Watkins, S P

2011-04-22

Carbon is a commonly used p-type dopant in planar III-V semiconductors, however its use in nanowire (NW) growth has been much less reported. In this work we show that the morphology of gold assisted GaAs NWs can be strongly modified by the presence of CBr(4) vapor during growth by metalorganic vapor phase epitaxy. GaAs NWs were grown under conditions which result in strong tapering and lateral growth at low growth temperatures by the use of triethylgallium (TEGa) instead of the more usual precursor, trimethylgallium (TMGa). Under these conditions, NWs grown in the presence of CBr(4) exhibit higher axial and lower radial growth rates, and negligible tapering compared with NWs grown in the absence of CBr(4) under the same conditions. We attribute this primarily to the suppression of the 2d growth rate by CBr(4), which enhances the axial growth rate of the nanowires. NWs grown with CBr(4) show stacking-fault-free zincblende structure, while the NWs grown without CBr(4) show a high density of stacking faults. This work underlines the striking effects which precursor chemistry can have on nanowire morphology.

Segregation-Assisted Plasticity in Ni-Based Superalloys

NASA Astrophysics Data System (ADS)

Barba, D.; Smith, T. M.; Miao, J.; Mills, M. J.; Reed, R. C.

2018-03-01

Correlative high-resolution transmission electron microscopy and energy-dispersive X-ray spectroscopy are used to study deformation-induced planar faults in the single-crystal superalloy MD2 crept at 800 °C and 650 MPa. Segregation of Cr and Co at microtwins, anti-phase boundaries (APB), and complex/superlattice extrinsic and intrinsic stacking faults (CESF/SESF and CISF/SISF) is confirmed and quantified. The extent of this is found to depend upon the fault type, being most pronounced for the APB. The CESF/SESF is studied in detail due to its role as a precursor of the microtwins causing the majority of plasticity under these conditions. Quantitative modeling is carried out to rationalize the findings; the experimental results are consistent with a greater predicted velocity for the lengthening of the CESF/SESF—compared with the other types of fault—and hence confirm its role in the diffusion-assisted plasticity needed for the microtwinning mechanism to be operative.

Fault linkage and continental breakup

NASA Astrophysics Data System (ADS)

Cresswell, Derren; Lymer, Gaël; Reston, Tim; Stevenson, Carl; Bull, Jonathan; Sawyer, Dale; Morgan, Julia

2017-04-01

The magma-poor rifted margin off the west coast of Galicia (NW Spain) has provided some of the key observations in the development of models describing the final stages of rifting and continental breakup. In 2013, we collected a 68 x 20 km 3D seismic survey across the Galicia margin, NE Atlantic. Processing through to 3D Pre-stack Time Migration (12.5 m bin-size) and 3D depth conversion reveals the key structures, including an underlying detachment fault (the S detachment), and the intra-block and inter-block faults. These data reveal multiple phases of faulting, which overlap spatially and temporally, have thinned the crust to between zero and a few km thickness, producing 'basement windows' where crustal basement has been completely pulled apart and sediments lie directly on the mantle. Two approximately N-S trending fault systems are observed: 1) a margin proximal system of two linked faults that are the upward extension (breakaway faults) of the S; in the south they form one surface that splays northward to form two faults with an intervening fault block. These faults were thus demonstrably active at one time rather than sequentially. 2) An oceanward relay structure that shows clear along strike linkage. Faults within the relay trend NE-SW and heavily dissect the basement. The main block bounding faults can be traced from the S detachment through the basement into, and heavily deforming, the syn-rift sediments where they die out, suggesting that the faults propagated up from the S detachment surface. Analysis of the fault heaves and associated maps at different structural levels show complementary fault systems. The pattern of faulting suggests a variation in main tectonic transport direction moving oceanward. This might be interpreted as a temporal change during sequential faulting, however the transfer of extension between faults and the lateral variability of fault blocks suggests that many of the faults across the 3D volume were active at least in part simultaneously. Alternatively, extension may have varied in direction spatially if it were a rotation about a pole located to the north.

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

Fisher,D

Concerns about the long-term viability of SFS as the metadata store for HPSS have been increasing. A concern that Transarc may discontinue support for SFS motivates us to consider alternative means to store HPSS metadata. The obvious alternative is a commercial database. Commercial databases have the necessary characteristics for storage of HPSS metadata records. They are robust and scalable and can easily accommodate the volume of data that must be stored. They provide programming interfaces, transactional semantics and a full set of maintenance and performance enhancement tools. A team was organized within the HPSS project to study and recommend anmore » approach for the replacement of SFS. Members of the team are David Fisher, Jim Minton, Donna Mecozzi, Danny Cook, Bart Parliman and Lynn Jones. We examined several possible solutions to the problem of replacing SFS, and recommended on May 22, 2000, in a report to the HPSS Technical and Executive Committees, to change HPSS into a database application over either Oracle or DB2. We recommended either Oracle or DB2 on the basis of market share and technical suitability. Oracle and DB2 are dominant offerings in the market, and it is in the best interest of HPSS to use a major player's product. Both databases provide a suitable programming interface. Transaction management functions, support for multi-threaded clients and data manipulation languages (DML) are available. These findings were supported in meetings held with technical experts from both companies. In both cases, the evidence indicated that either database would provide the features needed to host HPSS.« less

The effect of army vest design on the occurrence of stress fractures and overuse injuries in female military recruits.

PubMed

Palmanovich, Ezequiel; Frankl, M; Nyska, M; Hetsroni, I; Constantini, N; Trejo, L; Bechar, R; Novak, G; Lankovsky, Z; Mann, G

2017-08-01

Stress fractures (SFs) occur when microdamage caused by repetitive mechanical load exceeds the biological load-bearing capacity of the bone. The study objective was to test whether a vest specifically designed and manufactured for female recruits, compared with the standard vest used on a regular basis by Border Police recruits, would reduce the incidence of SF in female Border Police recruits. Data based on reports of military personnel show that women are more likely to sustain SFs. A follow-up of 240 female Border Police infantry recruits, divided into two trial groups, was conducted from 2007 to 2009. Two different vests were evaluated-the standard special unit fighting vest, which was conventionally used by both men and women during basic training, and the new fighting vest, specially design for female body shape. No significant difference was noted in the number of SFs between the two groups which may be attributed to increased weight of the new vest. There was a lower incidence of long bone SFs which may have been due to the superior vest design. The female Border Police Infantry recruits expressed great satisfaction with the new vest. Increased effort should be invested to further reduce the weight of female combat gear, alongside efforts to improve fit and comfort. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/.

Imaging the Moon's Core with Seismology

NASA Technical Reports Server (NTRS)

Weber, Renee C.; Lin, Pei-Ying Patty; Garnero, Ed J.; Williams, Quetin C.; Lognonne, Philippe

2011-01-01

Constraining the structure of the lunar core is necessary to improve our understanding of the present-day thermal structure of the interior and the history of a lunar dynamo, as well as the origin and thermal and compositional evolution of the Moon. We analyze Apollo deep moonquake seismograms using terrestrial array processing methods to search for the presence of reflected and converted energy from the lunar core. Although moonquake fault parameters are not constrained, we first explore a suite of theoretical focal spheres to verify that fault planes exist that can produce favorable core reflection amplitudes relative to direct up-going energy at the Apollo stations. Beginning with stacks of event seismograms from the known distribution of deep moonquake clusters, we apply a polarization filter to account for the effects of seismic scattering that (a) partitions energy away from expected components of ground motion, and (b) obscures all but the main P- and S-wave arrivals. The filtered traces are then shifted to the predicted arrival time of a core phase (e.g. PcP) and stacked to enhance subtle arrivals associated with the Moon s core. This combination of filtering and array processing is well suited for detecting deep lunar seismic reflections, since we do not expect scattered wave energy from near surface (or deeper) structure recorded at varying epicentral distances and stations from varying moonquakes at varying depths to stack coherently. Our results indicate the presence of a solid inner and fluid outer core, overlain by a partial-melt-containing boundary layer (Table 1). These layers are consistently observed among stacks from four classes of reflections: P-to-P, S-to-P, P-to-S, and S-to-S, and are consistent with current indirect geophysical estimates of core and deep mantle properties, including mass, moment of inertia, lunar laser ranging, and electromagnetic induction. Future refinements are expected following the successful launch of the GRAIL lunar orbiter and SELENE 2 lunar lander missions.

Is there a "blind" strike-slip fault at the southern end of the San Jacinto Fault system?

NASA Astrophysics Data System (ADS)

Tymofyeyeva, E.; Fialko, Y. A.

2015-12-01

We have studied the interseismic deformation at the southern end of the San Jacinto fault system using Interferometric Synthetic Aperture Radar (InSAR) and Global Positioning System (GPS) data. To complement the continuous GPS measurements from the PBO network, we have conducted campaign-style GPS surveys of 19 benchmarks along Highway 78 in the years 2012, 2013, and 2014. We processed the campaign GPS data using GAMIT to obtain horizontal velocities. The data show high velocity gradients East of the surface trace of the Coyote Creek Fault. We also processed InSAR data from the ascending and descending tracks of the ENVISAT mission between the years 2003 and 2010. The InSAR data were corrected for atmospheric artifacts using an iterative common point stacking method. We combined average velocities from different look angles to isolate the fault-parallel velocity field, and used fault-parallel velocities to compute strain rate. We filtered the data over a range of wavelengths prior to numerical differentiation, to reduce the effects of noise and to investigate both shallow and deep sources of deformation. At spatial wavelengths less than 2km the strain rate data show prominent anomalies along the San Andreas and Superstition Hills faults, where shallow creep has been documented by previous studies. Similar anomalies are also observed along parts of the Coyote Creek Fault, San Felipe Fault, and an unmapped southern continuation of the Clark strand of the San Jacinto Fault. At wavelengths on the order of 20km, we observe elevated strain rates concentrated east of the Coyote Creek Fault. The long-wavelength strain anomaly east of the Coyote Creek Fault, and the localized shallow creep observed in the short-wavelength strain rate data over the same area suggest that there may be a "blind" segment of the Clark Fault that accommodates a significant portion of the deformation on the southern end of the San Jacinto Fault.

Seismic imaging of the Main Frontal Thrust in Nepal reveals a shallow décollement and blind thrusting

NASA Astrophysics Data System (ADS)

Almeida, Rafael V.; Hubbard, Judith; Liberty, Lee; Foster, Anna; Sapkota, Soma Nath

2018-07-01

Because great earthquakes in the Himalaya have an average recurrence interval exceeding 500 yr, most of what we know about past earthquakes comes from paleoseismology and tectonic geomorphology studies of the youngest fault system there, the Main Frontal Thrust (MFT). However, these data are sparse relative to fault segmentation and length, and interpretations are often hard to validate in the absence of information about fault geometry. Here, we image the upper two km of strata in the vicinity of the fault tip of the MFT in central Nepal (around the town of Bardibas) applying a pre-stack migration approach to two new seismic reflection profiles that we interpret using quantitative fault-bend folding theory. Our results provide direct evidence that a shallow décollement produces both emergent (Patu thrust) and blind (Bardibas thrust) fault strands. We show that the décollement lies about 2 km below the land surface near the fault tip, and steps down to a regional 5 km deep décollement level to the north. This implies that there is significant variation in the depth of the décollement. We demonstrate that some active faults do not reach the surface, and therefore paleoseismic trenching alone cannot characterize the earthquake history at these locations. Although blind, these faults have associated growth strata that allow us to infer their most recent displacement history. We present the first direct evidence of fault dip on two fault strands of the MFT at depth that can allow terrace uplift measurements to be more accurately converted to fault slip. We identify a beveled erosional surface buried beneath Quaternary sediments, indicating that strath surface formation is modulated by both climate-related base level changes and tectonics. Together, these results indicate that subsurface imaging, in conjunction with traditional paleoseismological tools, can best characterize the history of fault slip in the Himalaya and other similar thrust fault systems.

Passive seismic imaging based on seismic interferometry: method and its application to image the structure around the 2013 Mw6.6 Lushan earthquake

NASA Astrophysics Data System (ADS)

Gu, N.; Zhang, H.

2017-12-01

Seismic imaging of fault zones generally involves seismic velocity tomography using first arrival times or full waveforms from earthquakes occurring around the fault zones. However, in most cases seismic velocity tomography only gives smooth image of the fault zone structure. To get high-resolution structure of the fault zones, seismic migration using active seismic data needs to be used. But it is generally too expensive to conduct active seismic surveys, even for 2D. Here we propose to apply the passive seismic imaging method based on seismic interferometry to image fault zone detailed structures. Seismic interferometry generally refers to the construction of new seismic records for virtual sources and receivers by cross correlating and stacking the seismic records on physical receivers from physical sources. In this study, we utilize seismic waveforms recorded on surface seismic stations for each earthquake to construct zero-offset seismic record at each earthquake location as if there was a virtual receiver at each earthquake location. We have applied this method to image the fault zone structure around the 2013 Mw6.6 Lushan earthquake. After the occurrence of the mainshock, a 29-station temporary array is installed to monitor aftershocks. In this study, we first select aftershocks along several vertical cross sections approximately normal to the fault strike. Then we create several zero-offset seismic reflection sections by seismic interferometry with seismic waveforms from aftershocks around each section. Finally we migrate these zero-offset sections to create seismic structures around the fault zones. From these migration images, we can clearly identify strong reflectors, which correspond to major reverse fault where the mainshock occurs. This application shows that it is possible to image detailed fault zone structures with passive seismic sources.

Shallow deformation of the San Andreas fault 5 years following the 2004 Parkfield earthquake (Mw6) combining ERS2 and Envisat InSAR.

PubMed

Bacques, Guillaume; de Michele, Marcello; Raucoules, Daniel; Aochi, Hideo; Rolandone, Frédérique

2018-04-16

This study focuses on the shallow deformation that occurred during the 5 years following the Parkfield earthquake (28/09/2004, Mw 6, San Andreas Fault, California). We use Synthetic Aperture Radar interferometry (InSAR) to provide precise measurements of transient deformations after the Parkfield earthquake between 2005 and 2010. We propose a method to combine both ERS2 and ENVISAT interferograms to increase the temporal data sampling. Firstly, we combine 5 years of available Synthetic Aperture Radar (SAR) acquisitions including both ERS-2 and Envisat. Secondly, we stack selected interferograms (both from ERS2 and Envisat) for measuring the temporal evolution of the ground velocities at given time intervals. Thanks to its high spatial resolution, InSAR could provide new insights on the surface fault motion behavior over the 5 years following the Parkfield earthquake. As a complement to previous studies in this area, our results suggest that shallow transient deformations affected the Creeping-Parkfield-Cholame sections of the San Andreas Fault after the 2004 Mw6 Parkfield earthquake.

Resilience Design Patterns - A Structured Approach to Resilience at Extreme Scale (version 1.0)

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

Hukerikar, Saurabh; Engelmann, Christian

Reliability is a serious concern for future extreme-scale high-performance computing (HPC) systems. Projections based on the current generation of HPC systems and technology roadmaps suggest that very high fault rates in future systems. The errors resulting from these faults will propagate and generate various kinds of failures, which may result in outcomes ranging from result corruptions to catastrophic application crashes. Practical limits on power consumption in HPC systems will require future systems to embrace innovative architectures, increasing the levels of hardware and software complexities. The resilience challenge for extreme-scale HPC systems requires management of various hardware and software technologies thatmore » are capable of handling a broad set of fault models at accelerated fault rates. These techniques must seek to improve resilience at reasonable overheads to power consumption and performance. While the HPC community has developed various solutions, application-level as well as system-based solutions, the solution space of HPC resilience techniques remains fragmented. There are no formal methods and metrics to investigate and evaluate resilience holistically in HPC systems that consider impact scope, handling coverage, and performance & power eciency across the system stack. Additionally, few of the current approaches are portable to newer architectures and software ecosystems, which are expected to be deployed on future systems. In this document, we develop a structured approach to the management of HPC resilience based on the concept of resilience-based design patterns. A design pattern is a general repeatable solution to a commonly occurring problem. We identify the commonly occurring problems and solutions used to deal with faults, errors and failures in HPC systems. The catalog of resilience design patterns provides designers with reusable design elements. We define a design framework that enhances our understanding of the important constraints and opportunities for solutions deployed at various layers of the system stack. The framework may be used to establish mechanisms and interfaces to coordinate flexible fault management across hardware and software components. The framework also enables optimization of the cost-benefit trade-os among performance, resilience, and power consumption. The overall goal of this work is to enable a systematic methodology for the design and evaluation of resilience technologies in extreme-scale HPC systems that keep scientific applications running to a correct solution in a timely and cost-ecient manner in spite of frequent faults, errors, and failures of various types.« less

Structure of the Sumatra wedge affected by the 26th December 2004 :Effects of the lower plate volcanic ridges.

NASA Astrophysics Data System (ADS)

Rangin, C.; Sibuet, J. C.; Lin, J. Y.; Le Pichon, X.

2009-04-01

Detailed swath-bathymetry, coupled with echo-sounder data were collected offshore the northern tip of Sumatra over the rupture area of the 26th December 2004 Mw=9.2 earthquake during the Sumatra aftershock cruise. 20 ocean bottom seismometers were also deployed in the northern Sumatra area., and more than 1000 events were identified during the 12 days recording period. We mapped recently active steeply dipping thrust fault zone within the western termination of the Sunda accreted wedge. Main N10°W trending out of sequence thrust fault zones with a discrete westward vergency and some component of dextral strike-slip motion were continuously mapped within the wedge, on the basis of bathymetry and low frequency sounder profiles. The interplate boundary does not appear to extend into the frontal part of the wedge but most probably merges in its central part along these major faults, the Lower and Upper Splay Faults. After relocation, the seismicity shows different pattern in each side of this Upper Splay Fault. East of this boundary, beneath the Aceh basin, the earthquake depths ranged from 30 to 60 km allow us to illustrate the subducted plate. In the western part, the aftershock distribution is strongly influenced by the N-S orientated oceanic fracture zones. Two clusters of earthquakes between 10 and 50 km in depth trending along N-S direction are observed in the lower wedge that we interpret to be reactive fracture zones. The lower wedge is interpreted as the northern prolongation below the wedge of the lower plate NS oceanic fracture zone ridges affected by NS trending left lateral strike-slip faults. This wedge outer ridge is in the process of being transferred to the upper plate. On the other hand the central ridge is interpreted as possible stacked volcanic ridge slivers already incorporated into the upper plate along the subduction buttress (the inner ridge of the wedge). We propose that the tectonic interaction of the volcanic Indian Ocean fracture ridges of the subducted plate with the leading edge of the upper Sunda plate subduction zone is an active tectonic transfer process of oceanic material to the upper plate. The proposed emergence of the interplate boundary into the middle part of the wedge along the Lower Splay Fault, could have favoured the formation of the giant Sumatra tsunami at moderate water depth. This docking and temporary stacking of these volcanic ridges before their subduction at depth, is favoured by the strong oblique convergence that prevails up to the Bengal basin into the north.

Imaging a Fault Boundary System Using Controlled-Source Data Recorded on a Large-N Seismic Array

NASA Astrophysics Data System (ADS)

Paschall, O. C.; Chen, T.; Snelson, C. M.; Ralston, M. D.; Rowe, C. A.

2016-12-01

The Source Physics Experiment (SPE) is a series of chemical explosions conducted in southern Nevada with an objective of improving nuclear explosion monitoring. Five chemical explosions have occurred thus far in granite, the most recent being SPE-5 on April 26, 2016. The SPE series will improve our understanding of seismic wave propagation (primarily S-waves) due to explosions, and allow better discrimination of background seismicity such as earthquakes and explosions. The Large-N portion of the project consists of 996 receiver stations. Half of the stations were vertical component and the other half were three-component geophones. All receivers were deployed for 30 days and recorded the SPE-5 shot, earthquakes, noise, and an additional controlled-source: a large weight-drop, which is a 13,000 kg modified industrial pile driver. In this study, we undertake reflection processing of waveforms from the weight-drop, as recorded by a line of sensors extracted from the Large-N array. The profile is 1.2 km in length with 25 m station spacing and 100 m shot point spacing. This profile crosses the Boundary Fault that separates granite body and an alluvium basin, a strong acoustic impedance boundary that scatters seismic energy into S-waves and coda. The data were processed with traditional seismic reflection processing methods that include filtering, deconvolution, and stacking. The stack will be used to extract the location of the splays of the Boundary Fault and provide geologic constraints to the modeling and simulation teams within the SPE project.

Manipulation of domain-wall solitons in bi- and trilayer graphene

NASA Astrophysics Data System (ADS)

Jiang, Lili; Wang, Sheng; Shi, Zhiwen; Jin, Chenhao; Utama, M. Iqbal Bakti; Zhao, Sihan; Shen, Yuen-Ron; Gao, Hong-Jun; Zhang, Guangyu; Wang, Feng

2018-01-01

Topological dislocations and stacking faults greatly affect the performance of functional crystalline materials1-3. Layer-stacking domain walls (DWs) in graphene alter its electronic properties and give rise to fascinating new physics such as quantum valley Hall edge states4-10. Extensive efforts have been dedicated to the engineering of dislocations to obtain materials with advanced properties. However, the manipulation of individual dislocations to precisely control the local structure and local properties of bulk material remains an outstanding challenge. Here we report the manipulation of individual layer-stacking DWs in bi- and trilayer graphene by means of a local mechanical force exerted by an atomic force microscope tip. We demonstrate experimentally the capability to move, erase and split individual DWs as well as annihilate or create closed-loop DWs. We further show that the DW motion is highly anisotropic, offering a simple approach to create solitons with designed atomic structures. Most artificially created DW structures are found to be stable at room temperature.

Disorder-controlled superconductivity at YBa2Cu3O7/SrTiO3 interfaces

NASA Astrophysics Data System (ADS)

Garcia-Barriocanal, J.; Perez-Muñoz, A. M.; Sefrioui, Z.; Arias, D.; Varela, M.; Leon, C.; Pennycook, S. J.; Santamaria, J.

2013-06-01

We examine the effect of interface disorder in suppressing superconductivity in coherently grown ultrathin YBa2Cu3O7 (YBCO) layers on SrTiO3 (STO) in YBCO/STO superlattices. The termination plane of the STO is TiO2 and the CuO chains are missing at the interface. Disorder (steps) at the STO interface cause alterations of the stacking sequence of the intracell YBCO atomic layers. Stacking faults give rise to antiphase boundaries which break the continuity of the CuO2 planes and depress superconductivity. We show that superconductivity is directly controlled by interface disorder outlining the importance of pair breaking and localization by disorder in ultrathin layers.

The Alpine nappe stack in western Austria: a crustal-scale cross section

NASA Astrophysics Data System (ADS)

Pomella, Hannah; Ortner, Hugo; Zerlauth, Michael; Fügenschuh, Bernhard

2015-04-01

Based on an N-S-oriented crustal-scale cross section running east of the Rhine Valley in Vorarlberg, western Austria, we address the Alpine nappe stack and discuss the boundary between Central and Eastern Alps. For our cross section, we used surface geology, drillings and reinterpreted seismic lines, together with published sections. The general architecture of the examined area can be described as a typical foreland fold-and-thrust belt, comprising the tectonic units of the Subalpine Molasse, (Ultra-)Helvetic, Penninic and Austroalpine nappes. These units overthrusted the autochthonous Molasse along the south-dipping listric Alpine basal thrust. The European Basement, together with its autochthonous cover, dips gently towards the south and is dissected by normal faults and trough structures. The seismic data clearly show an offset not only of the top of the European Basement, but also of the Mesozoic cover and the Lower Marine Molasse. This indicates an activity of the structures as normal faults after the sedimentation of the Lower Marine Molasse. The Subalpine Molasse is multiply stacked, forming a triangle zone at the boundary with the foreland Molasse. The shortening within the Subalpine Molasse amounts to approximately 45 km (~67 %), as deduced from our cross section with the Lower Marine Molasse as a reference. The hinterland-dipping duplex structure of the Helvetic nappes is deduced from surface and borehole data. There are at least two Helvetic nappes needed to fill the available space between the Molasse below and the Northpenninic above. This is in line with the westerly located NRP20-East transect (Schmid et al., Tectonics 15(5):1047-1048, 1996; Schmid et al., The TRANSMED Atlas: the Mediterranean Region from Crust to Mantle, 2004), where the two Helvetic nappes are separated by the Säntis thrust. Yet in contrast to the Helvetic nappes in the NRP20-East transect, both of our Helvetic nappes comprise Cretaceous and Jurassic strata. This change is explained by an eastward down-stepping of the Säntis thrust along a pre-existing, approximately N-S striking lateral ramp bounding an inverted Jurassic graben structure below the Rhine Valley. This causes the Säntis thrust to detach the base Cretaceous west of the Rhine Valley and the base Jurassic units east of it. This graben-controlled change in detachment level leads to the formation of quite different nappe stacks on either side of the Rhine Valley and a "fault-controlled" appearance of the boundary between the Central and Eastern Alps.

Impact of extended defects on optical properties of (1-101)GaN grown on patterned Si

NASA Astrophysics Data System (ADS)

Okur, S.; Izyumskaya, N.; Zhang, F.; Avrutin, V.; Metzner, S.; Karbaum, C.; Bertram, F.; Christen, J.; Morkoç, H.; Özgür, Ü.

2014-03-01

The optical quality of semipolar (1 101)GaN layers was explored by time- and polarization-resolved photoluminescence spectroscopy. High intensity bandedge emission was observed in +c-wing regions of the stripes as a result of better structural quality, while -c-wing regions were found to be of poorer optical quality due to basal plane and prismatic stacking faults (BSFs and PSFs) in addition to a high density of TDs. The high optical quality region formed on the +cwings was evidenced also from the much slower biexponential PL decays (0.22 ns and 1.70 ns) and an order of magnitude smaller amplitude ratio of the fast decay (nonradiative origin) to the slow decay component (radiative origin) compared to the -c-wing regions. In regard to defect-related emission, decay times for the BSF and PSF emission lines at 25 K (~ 0.80 ns and ~ 3.5 ns, respectively) were independent of the excitation density within the range employed (5 - 420 W/cm2), and much longer than that for the donor bound excitons (0.13 ns at 5 W/cm2 and 0.22 ns at 420 W/cm2). It was also found that the emission from BSFs had lower polarization degree (0.22) than that from donor bound excitons (0.35). The diminution of the polarization degree when photogenerated carriers recombine within the BSFs is another indication of the negative effects of stacking faults on the optical quality of the semipolar (1101)GaN. In addition, spatial distribution of defects in semipolar (1101)-oriented InGaN active region layers grown on stripe patterned Si substrates was investigated using near-field scanning optical microscopy. The optical quality of -c- wing regions was found to be worse compared to +c-wing regions due to the presence of higher density of stacking faults and threading dislocations. The emission from the +c-wings was very bright and relatively uniform across the sample, which is indicative of a homogeneous In distribution.

Defect-Induced Nucleation and Epitaxy: A New Strategy toward the Rational Synthesis of WZ-GaN/3C-SiC Core-Shell Heterostructures.

PubMed

Liu, Baodan; Yang, Bing; Yuan, Fang; Liu, Qingyun; Shi, Dan; Jiang, Chunhai; Zhang, Jinsong; Staedler, Thorsten; Jiang, Xin

2015-12-09

In this work, we demonstrate a new strategy to create WZ-GaN/3C-SiC heterostructure nanowires, which feature controllable morphologies. The latter is realized by exploiting the stacking faults in 3C-SiC as preferential nucleation sites for the growth of WZ-GaN. Initially, cubic SiC nanowires with an average diameter of ∼100 nm, which display periodic stacking fault sections, are synthesized in a chemical vapor deposition (CVD) process to serve as the core of the heterostructure. Subsequently, hexagonal wurtzite-type GaN shells with different shapes are grown on the surface of 3C-SiC wire core. In this context, it is possible to obtain two types of WZ-GaN/3C-SiC heterostructure nanowires by means of carefully controlling the corresponding CVD reactions. Here, the stacking faults, initially formed in 3C-SiC nanowires, play a key role in guiding the epitaxial growth of WZ-GaN as they represent surface areas of the 3C-SiC nanowires that feature a higher surface energy. A dedicated structural analysis of the interfacial region by means of high-resolution transmission electron microscopy (HRTEM) revealed that the disordering of the atom arrangements in the SiC defect area promotes a lattice-matching with respect to the WZ-GaN phase, which results in a preferential nucleation. All WZ-GaN crystal domains exhibit an epitaxial growth on 3C-SiC featuring a crystallographic relationship of [12̅10](WZ-GaN) //[011̅](3C-SiC), (0001)(WZ-GaN)//(111)(3C-SiC), and d(WZ-GaN(0001)) ≈ 2d(3C-SiC(111)). The approach to utilize structural defects of a nanowire core to induce a preferential nucleation of foreign shells generally opens up a number of opportunities for the epitaxial growth of a wide range of semiconductor nanostructures which are otherwise impossible to acquire. Consequently, this concept possesses tremendous potential for the applications of semiconductor heterostructures in various fields such as optics, electrics, electronics, and photocatalysis for energy harvesting and environment processing.

Physical Properties of NiFeCrCo-based High-Entropy Alloys

NASA Astrophysics Data System (ADS)

Zaddach, Alexander Joseph

Conventional alloy design has been based on improving the properties of a single base, or solvent, element through relatively small additions of other elements. More recently, research has been conducted on alloys that contain multiple principal elements, particularly multi-component equiatomic alloys. When such alloys form solid solution phases, they are termed "high-entropy alloys" (HEAs) due to their high configurational entropy. These alloys often have favorable properties compared to conventional dilute solution alloys, but their compositional complexity and relative novelty means that they remain difficult to design and their basic properties are often unknown. The motivation for this work is a detailed experimental exploration of some of the basic physical properties of NiFeCrCo-based alloys. NiFeCrCoMn was one of the first equiatomic HEAs developed. As the compositional space within this single system is extremely large, this work focuses primarily on equiatomic alloys and a limited subset of non-equiatomic alloys chosen for their specific properties. Several alloys are prepared using both conventional methods (arc melting) and nonequilibrium methods (mechanical alloying). Properties studied include stacking fault energy, bulk mechanical properties, single crystal elastic constants, and magnetic properties. The equiatomic NiFeCrCo and NiFeCrCoMn alloys were found to have a moderate to low stacking fault energy, 18 -- 30 mJ m-2. As they are single-phase, fcc alloys, they have high tensile ductility. Additionally, they also exhibit high work-hardening rates, resulting in high toughness. NiFeCrCo outperforms the 5-component equiatomic alloy in ductility and toughness. A 5-component alloy with higher Co content to reduce the stacking fault energy also performs well. The single crystal elastic constants were measured using nanoindentation modulus measurements of grains of known orientation. The measured elastic constants were consistent with those calculated using first-principles modeling. Adding Zn in addition to Mn resulted in an alloy that preferred to form multiple phases. After the optimal heat treatment, it forms nano-sized grains of FeCo, which results in permanent magnetic behavior at room temperature.

Lithospheric structure beneath Mainland China from ambient noise tomography

NASA Astrophysics Data System (ADS)

Huang, J.; Peng, J.; Liu, Z.

2017-12-01

The Chinese continent is composed of several Precambrian craton blocks and Phanerozoic orogenic belts. To better understand the complex geological structure and tectonic evolution, it is important to develop a high-resolution shear velocity model of the lithosphere. In this study, we try to use ambient noise tomography to image the lithospheric structure beneath mainland China. However, in contrast with most of the existing ambient noise tomography studies which focus on the surface wave at periods shorter than 60 s, we apply the technique of phase-weighted stack (PWS) (Schimmel et al., 2011) when stacking the cross-correlations of ambient noise. We could extract long-period ( 125 s) dispersions to image the high-resolution lithospheric structure. We collected continuous seismic records from the broadband stations of China Regional Seismic Networks and NECESSArray between Sept., 2009 and Aug., 2011. We constructed Rayleigh wave group and phase velocity maps on 0.25 ×0.25 degree grids, and then inverted a high-resolution lithospheric 3D shear velocity model up to 150 km depth. The results exhibited pronounced lateral heterogeneity of the lithospheric structure of the study area. It is obvious that the high velocities beneath the Ordos and Sichuan Basin exceeds 150 km, representing the strong and thick lithosphere. The lithospheric thickness gradually thins from west to east for the North China Craton (NCC) and the Yangtze Craton (YZC). The lithospheric thickness of the eastern NCC is about 80-90 km, and which beneath the Bohai Bay is thinnest, only 60-80 km. For the lower YZC and the Cathaysia block, the lithospheric thickness is about 70-80 km, slightly thinner than the eastern NCC. The observed thin lithosphere (about 60-80 km) beneath the eastern Northeast China is likely to be associated with the Tanlu fault and the Quaternary Changbaishan and Jingpohu volcano. The lithosphere thickness beneath the Tanlu fault is thin or absent, which possibly be related to the upwelling of the hot asthenosphere, and the fault provides channels. *This work was supported by National Key R&D Plan (Grant No. 2017YFC0601406). KEYWORDS: Ambient noise, Phase-weighted stack, Lithosphere, Shear velocity

Structure of the Red Dog District, western Brooks Range, Alaska

USGS Publications Warehouse

de Vera, Jean-Pierre P.; McClay, K. R.

2004-01-01

The Red Dog district of the western Brooks Range of northern Alaska, which includes the sediment-hosted Zn-Pb-Ag ± Ba deposits at Red Dog, Su-Lik, and Anarraaq, contains one of the world's largest reserves of zinc. This paper presents a new model for the structural development of the area and shows that understanding the structure is crucial for future exploration efforts and new mineral discoveries in the district. In the Red Dog district, a telescoped Late Devonian through Jurassic continental passive margin is exposed in a series of subhorizontally stacked, internally imbricated, and regionally folded thrust sheets. These sheets were emplaced during the Middle Jurassic to Late Cretaceous Brookian orogeny and subsequently were uplifted by late tectonic activity in the Tertiary. The thrust sheet stack comprises seven tectonostratigraphically distinct allochthonous sheets, three of which have been subject to regional and detailed structural analysis. The lowermost of these is the Endicott Mountains allochthon, which is overlain by the structurally higher Picnic Creek and Kelly River allochthons. Each individual allochthon is itself internally imbricated into a series of tectonostratigraphically coherent and distinct thrust plates and subplates. This structural style gives rise to duplex development and imbrication at a range of scales, from a few meters to tens of kilometers. The variable mechanical properties of the lithologic units of the ancient passive margin resulted in changes in structural styles and scales of structures across allochthon boundaries. Structural mapping and analysis of the district indicate a dominant northwest to west-northwest direction of regional tectonic transport. Local north to north-northeast transport of thrust sheets is interpreted to reflect the influence of underlying lateral and/or oblique ramps, which may have been controlled by inherited basin margin structures. Some thrust-sheet stacking patterns suggest out-of-sequence thrusting. The west-northwest-east-southeast-trending Wrench Creek and Sivukat Mountain faults were previously interpreted to be strike-slip faults, but this study shows that they are Tertiary (Eocene?) late extensional faults with little or no lateral displacement.

Effects of neutron irradiation of Ti 3SiC 2 and Ti 3AlC 2 in the 121–1085 °C temperature range

DOE PAGES

Tallman, Darin J.; He, Lingfeng; Gan, Jian; ...

2016-11-19

Herein we report on the formation of defects in response to neutron irradiation of polycrystalline Ti 3SiC 2 and Ti 3AlC 2 samples exposed to doses of 0.14±0.01, 1.6±0.1, and 3.4±0.1 displacements per atom (dpa) at irradiation temperatures of 121±12, 735±6 and 1085±68 °C. After irradiation to 0.14 dpa at 121 °C and 735 °C, black spots are observed in both Ti 3SiC 2 and Ti 3AlC 2. After irradiation to 1.6 and 3.4 dpa at 735 °C, basal dislocation loops, with a Burgers vector of b = ½ [0001] are observed in Ti 3SiC 2, with loop diameters ofmore » 21±6 and 30±8 nm for 1.6 dpa and 3.4 dpa, respectively. In Ti3AlC2, larger dislocation loops, 75±34 nm in diameter are observed after 3.4 dpa at 735 °C, in addition to stacking faults. Impurity particles of TiC, as well as stacking fault TiC platelets in the MAX phases, are seen to form extensive dislocation loops under all conditions. Voids are observed at grain boundaries and within stacking faults after 3.4 dpa irradiation, with extensive void formation in the TiC regions at 1085 °C. Remarkably, denuded zones on the order of 1 µm are observed in Ti 3SiC 2 after irradiation to 3.4 dpa at 735 °C. Small grains, 3-5 µm in diameter, are damage free after irradiation at 1085 °C at this dose. The presence of the A-layer in the MAX phases is seen to provide enhanced irradiation tolerance. Based on these results, and up to 3.41 dpa, Ti 3SiC 2 remains a promising candidate for high temperature nuclear applications.« less

Effects of neutron irradiation of Ti 3SiC 2 and Ti 3AlC 2 in the 121–1085 °C temperature range

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

Tallman, Darin J.; He, Lingfeng; Gan, Jian

Herein we report on the formation of defects in response to neutron irradiation of polycrystalline Ti 3SiC 2 and Ti 3AlC 2 samples exposed to doses of 0.14±0.01, 1.6±0.1, and 3.4±0.1 displacements per atom (dpa) at irradiation temperatures of 121±12, 735±6 and 1085±68 °C. After irradiation to 0.14 dpa at 121 °C and 735 °C, black spots are observed in both Ti 3SiC 2 and Ti 3AlC 2. After irradiation to 1.6 and 3.4 dpa at 735 °C, basal dislocation loops, with a Burgers vector of b = ½ [0001] are observed in Ti 3SiC 2, with loop diameters ofmore » 21±6 and 30±8 nm for 1.6 dpa and 3.4 dpa, respectively. In Ti3AlC2, larger dislocation loops, 75±34 nm in diameter are observed after 3.4 dpa at 735 °C, in addition to stacking faults. Impurity particles of TiC, as well as stacking fault TiC platelets in the MAX phases, are seen to form extensive dislocation loops under all conditions. Voids are observed at grain boundaries and within stacking faults after 3.4 dpa irradiation, with extensive void formation in the TiC regions at 1085 °C. Remarkably, denuded zones on the order of 1 µm are observed in Ti 3SiC 2 after irradiation to 3.4 dpa at 735 °C. Small grains, 3-5 µm in diameter, are damage free after irradiation at 1085 °C at this dose. The presence of the A-layer in the MAX phases is seen to provide enhanced irradiation tolerance. Based on these results, and up to 3.41 dpa, Ti 3SiC 2 remains a promising candidate for high temperature nuclear applications.« less

Seismic Imaging and Characterization of Bright Spots in the West Bohemia Seismic Zone (Germany and Czech Republic)

NASA Astrophysics Data System (ADS)

Alexandrakis, C.; Schreiter, L.; Hlousek, F.; Jusri, T.; Buske, S.

2017-12-01

In crystalline environments, imaging faults, layer boundaries and small scale structures is challenging due to the complex geometry of the structures themselves and the influence of the hardrock environment on the seismic wavefield. Optimally designed active seismic surveys and careful processing can produce a clear image of the subsurface structures. However, if little is known about the local geology and tectonic state of the area, the imaged reflections can be difficult to interpret. This is the case in the West Bohemia Seismic Zone, located along the border of Germany and Czech Republic. This geodynamically active area is spotted with springs and gas vents, and frequently experiences low magnitude seismic swarms. The most active region is located in the Cheb basin and coincides with the junction of a northwest trending fault with a north-south trending shear zone, making for a structurally complex hardrock setting. In the early 1990s, two long-offset reflection seismic profiles were collected along the boundary of the Cheb basin: MVE-90 along the northern edge, and 9HR-91 in the east. These profiles were recently reprocessed using Kirchhoff PreStack Depth Migration, revealing high amplitude reflections, or bright spots, that correlate to nearby seismicity. Several studies have hypothesized that the 9HR-91 bright spots image a fluid trap, where mantle-sourced fluids accumulate, thereby facilitating slip on the faults and triggering the swarms. However, the exact nature of the bright spots remains an open question. They may be a change in lithology and/or porosity, an infilled vein or an impermeable fault. We aim to answer this question by first using Coherency-Based PreStack Depth Migration to produce detailed images of the bright spots. We then forward model the waveforms guided by the reflection coefficients in order to derive rock-physical parameters. Finally, the best-fitting models are interpreted in terms of their possible relationship to the West Bohemia swarms.

Association between Circulating Vitamin D Level and Urolithiasis: A Systematic Review and Meta-Analysis.

PubMed

Hu, Henglong; Zhang, Jiaqiao; Lu, Yuchao; Zhang, Zongbiao; Qin, Baolong; Gao, Hongbin; Wang, Yufeng; Zhu, Jianning; Wang, Qing; Zhu, Yunpeng; Xun, Yang; Wang, Shaogang

2017-03-18

Many studies compared the serum/plasma 1,25 dihydroxyvitamin D₃ (1,25(OH)₂D) and 25 hydroxyvitamin D₃ (25(OH)D) between people with and without nephrolithiasis, and their results were conflicting. After systematically searching PubMed, Web of Science, The Cochrane Library, CNKI, and the Wanfang Database, we conducted a meta-analysis. Thirty-two observational studies involving 23,228 participants were included. Meta-analysis of these studies showed that of stone formers (SFs), calcium SFs had significantly higher concentrations of 1,25(OH)₂D (weighted mean difference (WMD), 10.19 pg/mL; 95% confidence interval (CI), 4.31-16.07; p = 0.0007 and WMD, 11.28 pg/mL; 95% CI, 4.07-18.50; p = 0.002, respectively) than non-stone formers, while the levels of 25(OH)D (WMD, 0.88 ng/mL; 95% CI, -1.04-2.80; p = 0.37 and WMD, -0.63 ng/mL; 95% CI, -2.72-1.47; p = 0.56, respectively) are similar. Compared with controls and normocalciuria SFs, hypercalciuria SFs had increased circulating 1,25(OH)₂D (WMD, 9.41 pg/mL; 95% CI, 0.15-18.67; p = 0.05 and WMD, 2.75 pg/mL; 95% CI, -0.20-5.69; p = 0.07, respectively) and markedly higher 25(OH)D (WMD, 5.02 ng/mL; 95% CI, 0.99-9.06; p = 0.01 and WMD, 5.02 ng/mL; 95% CI, 2.14-7.90; p = 0.0006, respectively). Normocalciuria SFs had elevated 1,25(OH)₂D level (WMD, 6.85 pg/mL; 95% CI, -5.00-18.71; p = 0.26) and comparable 25(OH)D (WMD, 0.94 ng/mL; 95% CI, -3.55-5.43; p = 0.68). Sensitivity analysis generated similar results. Current evidence suggests that increased circulating 1,25(OH)₂D is associated with urinary stones and a higher level of circulating 25(OH)D is significantly associated with hypercalciuria urolithiasis. Further studies are still needed to reconfirm and clarify the role of vitamin D in the pathogenesis of stones.

How We Got to the Northern Hemisphere Ice Ages: Late Miocene Global Cooling and Plate Tectonic CO2 Forcing

NASA Astrophysics Data System (ADS)

Herbert, T.; Dalton, C. A.; Carchedi, C.

2017-12-01

The evolution of Earth's climate between "refrigeration" of East Antarctica and the onset of cyclic Northern Hemisphere glaciation spanned more than 11 Myr. In the latest Miocene (Messinian) time, approximately half way on this journey, changes on land, ranging from the expansion of arid zones to major floral and faunal ecosystem shifts, accelerated. Recent compilations of marine surface temperatures reveal that global cooling from the Miocene Optimum (14-16Ma) also accelerated in late Miocene (7-5.35 Ma) time to reach temperatures not much above Holocene conditions. Both hemispheres cooled in parallel, with the changes amplified at higher latitudes in comparison to the tropics. Despite the strong circumstantial case for CO2 decline as the dominant cause of late Miocene climatic and evolutionary change, proxy indicators of CO2concentrations paint an equivocal picture of greenhouse forcing. Here we provide evidence that global sea floor spreading (SFS) rates decelerated at exactly the times of major climatic cooling, linking a decline in tectonic degassing (at both subduction zones and mid-ocean ridges) to fundamental shifts in the global carbon cycle. Our work utilizes newly available global compilations of seafloor fabric and marine magnetic anomalies provided by the NSF-funded Global Seafloor Fabric and Magnetic Lineation Data Base Project. Previous global compilations of SFS typically binned estimates over 10 Myr increments, losing critical resolution on the timescale of late Neogene climate changes. We further improve the signal:noise of SFS estimates by incorporating recent advances in the astronomical calibration of the Miocene geomagnetic polarity timescale. We use two approaches to compile spreading rate estimates over the past 20 Myr at each spreading system: optimized finite rotation calculations, and averages of sea floor-spreading derived from the distances of magnetic lineations along flow lines on the sea floor. Weighted by ridge length, we find an 25% reduction in global SFS since 15 Ma, with the decline most pronounced in the interval 8-5.5 Ma and approximate stasis in the Plio-Pleistocene. Comparison of SFS to global temperature estimates suggest a short time delay (unresolvable at the sample resolution) between tectonic forcing and climate response.

Survey to Identify Substandard and Falsified Tablets in Several Asian Countries with Pharmacopeial Quality Control Tests and Principal Component Analysis of Handheld Raman Spectroscopy.

PubMed

Kakio, Tomoko; Nagase, Hitomi; Takaoka, Takashi; Yoshida, Naoko; Hirakawa, Junichi; Macha, Susan; Hiroshima, Takashi; Ikeda, Yukihiro; Tsuboi, Hirohito; Kimura, Kazuko

2018-06-01

The World Health Organization has warned that substandard and falsified medical products (SFs) can harm patients and fail to treat the diseases for which they were intended, and they affect every region of the world, leading to loss of confidence in medicines, health-care providers, and health systems. Therefore, development of analytical procedures to detect SFs is extremely important. In this study, we investigated the quality of pharmaceutical tablets containing the antihypertensive candesartan cilexetil, collected in China, Indonesia, Japan, and Myanmar, using the Japanese pharmacopeial analytical procedures for quality control, together with principal component analysis (PCA) of Raman spectrum obtained with handheld Raman spectrometer. Some samples showed delayed dissolution and failed to meet the pharmacopeial specification, whereas others failed the assay test. These products appeared to be substandard. Principal component analysis showed that all Raman spectra could be explained in terms of two components: the amount of the active pharmaceutical ingredient and the kinds of excipients. Principal component analysis score plot indicated one substandard, and the falsified tablets have similar principal components in Raman spectra, in contrast to authentic products. The locations of samples within the PCA score plot varied according to the source country, suggesting that manufacturers in different countries use different excipients. Our results indicate that the handheld Raman device will be useful for detection of SFs in the field. Principal component analysis of that Raman data clarify the difference in chemical properties between good quality products and SFs that circulate in the Asian market.

Microclimatic Divergence in a Mediterranean Canyon Affects Richness, Composition, and Body Size in Saproxylic Beetle Assemblages.

PubMed

Buse, Jörn; Fassbender, Samuel; Entling, Martin H; Pavlicek, Tomas

2015-01-01

Large valleys with opposing slopes may act as a model system with which the effects of strong climatic gradients on biodiversity can be evaluated. The advantage of such comparisons is that the impact of a change of climate can be studied on the same species pool without the need to consider regional differences. The aim of this study was to compare the assemblage of saproxylic beetles on such opposing slopes at Lower Nahal Oren, Mt. Carmel, Israel (also known as "Evolution Canyon") with a 200-800% higher solar radiation on the south-facing (SFS) compared to the north-facing slope (NFS). We tested specific hypotheses of species richness patterns, assemblage structure, and body size resulting from interslope differences in microclimate. Fifteen flight-interception traps per slope were distributed over three elevation levels ranging from 50 to 100 m a.s.l. Richness of saproxylic beetles was on average 34% higher on the SFS compared with the NFS, with no detected influence of elevation levels. Both assemblage structure and average body size were determined by slope aspect, with more small-bodied beetles found on the SFS. Both the increase in species richness and the higher prevalence of small species on the SFS reflect ecological rules present on larger spatial grain (species-energy hypothesis and community body size shift hypothesis), and both can be explained by the metabolic theory of ecology. This is encouraging for the complementary use of micro- and macroclimatic gradients to study impacts of climate warming on biodiversity.

Beyond education and income: Identifying novel socioeconomic correlates of cigarette use in U.S. young adults.

PubMed

Villanti, Andrea C; Johnson, Amanda L; Rath, Jessica M

2017-11-01

Young adulthood is defined by transitions in family life, living situations, educational settings, and employment. As a result, education and income may not be appropriate measures of socioeconomic status (SES) in young people. Using a national sample of young adults aged 18-34 (n=3364; collected February 2016), we explored novel socioeconomic correlates of ever cigarette use, past 30-day cigarette use, and daily cigarette use, weighted to account for non-response. Measures of SES assessed current education, household income, employment status, and subjective financial situation (SFS) and childhood SES (maternal and paternal education, SFS during childhood, parental divorce before age 18). Parental smoking during childhood was examined in sensitivity analyses. The highest prevalence of ever cigarette use was in young adults whose parents divorced before age 18 (57% vs. 47% overall). In general, current education, subjective financial status, and parental education were inversely correlated with past 30-day and daily cigarette use in bivariate analyses. In multivariable Poisson regression models controlling for age, gender, race/ethnicity, and other SES measures, lower education and poorer SFS were most strongly correlated with ever and past 30-day cigarette use. Lower maternal education emerged as the strongest correlate of daily smoking, conferring a twofold higher prevalence of daily smoking compared to maternal education of a Bachelor's degree or greater. Current household income was not a strong predictor of any cigarette use outcome. Novel measures like SFS may improve estimates of socioeconomic disadvantage during this developmental stage. Copyright © 2017. Published by Elsevier Inc.

Hemodynamics of Pericardial Aortic Valves: Contemporary Stented versus Stentless Valves in a Matched Comparison

PubMed Central

Holinski, Sebastian; Zhigalov, Konstantin; Zielinski, Christina Barbara; Grubitzsch, Herko

2017-01-01

Purpose: Hemodynamic performance of aortic valve bioprostheses is essential for reliable function and durability. So far, the supra-annularly implanted stentless Sorin Freedom Solo (SFS) demonstrated unsurpassed hemodynamic properties. As contemporary stented and externally mounted pericardial bioprostheses, like the Labcor Dokimos Plus (LDP), also improve hemodynamic performance, these types of valves were compared in this study. Methods: A total of 218 patients, who underwent aortic valve replacement with the LDP or the SFS, were matched retrospectively 1:1 on variables affecting hemodynamic measurements: implanted valve size, age, sex, and body surface area (BSA). With matching tolerance for valve size and gender of 0%, for age and BSA of 5%, 57 patient-pairs were yielded. Operative data, clinical, and hemodynamic outcome were analyzed. Results: Except for slightly higher left ventricular function and lower procedural times in the SFS group, preoperative, operative, and postoperative characteristics of patient-pairs did not differ significantly. Mean pressure gradients, effective orifice areas (EOAs), and indexed EOAs were comparable. Corresponding to valve sizes of 21, 23, 25, and 27 mm, the indexed EOAs of the LDP and SFS prostheses were 1.08 ± 0.33, 0.92 ± 0.19, 0.93 ± 0.24, 0.99 ± 0.13 cm2/m2 and 0.81 ± 0.13, 0.92 ± 0.28, 0.95 ± 0.20, 1.04 ± 0.27 cm2/m2, respectively. Conclusion: Contemporary stented and stentless pericardial bioprostheses showed excellent hemodynamic properties without significant differences in EOAs and indexed EOAs. PMID:28890465

Transport properties of YBa2Cu3Ox /La0.67Sr0.33MnO3 nanostrips and YBa2Cu3Ox/La0.67Sr0.33MnO3/YBa2Cu3Ox nanojunctions

NASA Astrophysics Data System (ADS)

Štrbík, V.; Beňačka, Š.; Gaži, Š.; Španková, M.; Šmatko, V.; Chromik, Š.; Gál, N.; Knoška, J.; Sojková, M.; Pisarčík, M.

2016-03-01

A metallic ferromagnet (F) in proximity with a superconductor (S) can transport supercurrent on a long distance through conversion of opposite-spin singlet Cooper pairs (CP) into equal-spin triplet CP (long range triplet component, LRTC), which are not broken by the exchange energy of F. The optimal conditions for the conversion are yet to be clarified; however, it is accepted that the key point to this process include high interface transparency and magnetic inhomogeneity at the SF interface. The aim of our paper is to study SF nanostrips (length of about 1500 nm and width down to 300 nm) and lateral SFS nanojunctions based on high critical temperature YBa2Cu3Ox (YBCO) and half-metallic La0.67Sr0.33MnO3 (LSMO) thin films. We applied a focused Ga+ ion beam (FIB) for patterning the SF nanostrips, as well as lateral SFS nanojunctions, by creating a slot in the nanostrip after removing the YBCO film in the slot along a length of about 200 nm. The temperature dependences of the samples resistance R(T) show critical temperature TCn ≈ 89 K of the SF nanostrips; however, the SFS nanojunctions at T < TCn show a residual resistance R < 100 Ω corresponding to a dirty LSMO (ρ≈ 10 mΩ cm) in the slot. The LRTC was not observed in our lateral SFS nanojunctions until now.

Effect of double-layer application on bond quality of adhesive systems.

PubMed

Fujiwara, Satoshi; Takamizawa, Toshiki; Barkmeier, Wayne W; Tsujimoto, Akimasa; Imai, Arisa; Watanabe, Hidehiko; Erickson, Robert L; Latta, Mark A; Nakatsuka, Toshiyuki; Miyazaki, Masashi

2018-01-01

The aim of this study was to determine the effect of double-layer application of universal adhesives on the bond quality and compare to other adhesive systems. Two universal adhesives used were in this study: Scotchbond Universal (SU), [3M ESPE] and Prime & Bond elect (PE), [Dentsply Caulk]. The conventional single-step self-etch adhesives G-ӕnial Bond (GB), [GC Corporation.] and BeautiBond (BB), [Shofu Inc.], and a two-step self-etch adhesive, Optibond XTR (OX), [Kerr Corporation], were used as comparison adhesives. Shear bond strengths (SBS) and shear fatigue strengths (SFS) to human enamel and dentin were measured in single application mode and double application mode. For each test condition, 15 specimens were prepared for SBS testing and 30 specimens for SFS testing. Enamel and dentin SBS of the universal adhesives in the double application mode were significantly higher than those of the single application mode. In addition, the universal adhesives in the double application mode had significantly higher dentin SFS values than those of the single application mode. The two-step self-etch adhesive OX tended to have lower bond strengths in the double application mode, regardless of the test method or adherent substrate. The double application mode is effective in enhancing SBS and SFS of universal adhesives, but not conventional two-step self-etch adhesives. These results suggest that, although the double application mode may enhance the bonding quality of a universal adhesive, it may be counter-productive for two-step self-etch adhesives in clinical use. Copyright © 2017 Elsevier Ltd. All rights reserved.

Along-strike variations of geometry and kinematics on the border fault of Nanpu sag, Bohai Bay Basin

NASA Astrophysics Data System (ADS)

Zhang, C.; Ren, J.; Liu, X.; Sun, Z.; Su, M.

2010-12-01

Nanpu sag is located in the north-eastern portion of the Huanghua depression, covering an area of approximately 1900km2, and comprises one of the most important petroliferous basins of the Bohai Bay Basin. The Nanpu sag is bordered by two master faults with long-term activity: the Xi’nanzhuang (XNZ) and Bogezhuang (BGZ) fault. By analysis of horizontal slices, gravity anomaly map and seismic reflection sections, we found there is no cutting relationship, and thus considered the XNZ and BGZ fault as a same one. However it showed striking differences between the XNZ and BGZ segment in fault occurrence, fault throw and residual formation thickness and so on. The BGZ fault was NW trending fault with a steep inclination. Taken section across the northern region in Nanpu sag for example, its controlling depocenter is located in eastern subsag (Fig.1); the XNZ fault was a NE fault and displayed a Shovel-shaped to plate-like geometry, with its controlling depocenter located in western subsag. We qualitify the fault throw, showing that the XNZ fault strongly acted during the sedimentary period of Es3-Es2, while the BGZ fault presented weak activity, and especially during Es31 submember-Es2 member, the XNZ fault acted so strongly that the hanging wall of BGZ fault was tilt-lifted and suffered erosion (Fig.1), which created Es1 uncomformity; The BGZ fault acted strongly during the sedimentary period of Es1-Ed, which led the hanging wall of XNZ fault to be tilt-lifted. Controlled by such segmented activity of the whole border fault, which we suggested a "seesaw" model for its evolution, the northern part in the Nanpu sag experienced an alternative variation between a deposition center and an erosion region after tilt-lifting. Combination of the sediment stacking patterns, we further classified the history of "seesaw" activities into four stages: 1) Early double-break stage (Es35-Es31), both of the XNZ and BGZ fault acted; 2) Middle the XNZ segment throw and the BGZ tilting (Es2); 3) Late the XNZ segment tilting and BGZ throw (Es1-Ed3); 4) End weak double-break stage (Ed2-Present), the whole fault acted weakly and were superposed by neotectonic movement. Fig.1 Seesaw activity of the whole border fault

Award ER25750: Coordinated Infrastructure for Fault Tolerance Systems Indiana University Final Report

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

Lumsdaine, Andrew

2013-03-08

The main purpose of the Coordinated Infrastructure for Fault Tolerance in Systems initiative has been to conduct research with a goal of providing end-to-end fault tolerance on a systemwide basis for applications and other system software. While fault tolerance has been an integral part of most high-performance computing (HPC) system software developed over the past decade, it has been treated mostly as a collection of isolated stovepipes. Visibility and response to faults has typically been limited to the particular hardware and software subsystems in which they are initially observed. Little fault information is shared across subsystems, allowing little flexibility ormore » control on a system-wide basis, making it practically impossible to provide cohesive end-to-end fault tolerance in support of scientific applications. As an example, consider faults such as communication link failures that can be seen by a network library but are not directly visible to the job scheduler, or consider faults related to node failures that can be detected by system monitoring software but are not inherently visible to the resource manager. If information about such faults could be shared by the network libraries or monitoring software, then other system software, such as a resource manager or job scheduler, could ensure that failed nodes or failed network links were excluded from further job allocations and that further diagnosis could be performed. As a founding member and one of the lead developers of the Open MPI project, our efforts over the course of this project have been focused on making Open MPI more robust to failures by supporting various fault tolerance techniques, and using fault information exchange and coordination between MPI and the HPC system software stack from the application, numeric libraries, and programming language runtime to other common system components such as jobs schedulers, resource managers, and monitoring tools.« less

The role of tendinitis in fibromyalgia syndrome.

PubMed

Genç, Hakan; Saracoğlu, Meryem; Duyur, Burcu; Erdem, Hatice Rana

2003-08-30

Fibromyalgia Syndrome (FS) is a common disease characterized by diffuse, widespread pain and multiple tender points. The syndrome has been subclassified as primary (PFS) and secondary (SFS) fibromyalgia. The aim of this study was to evaluate the role of common tendinitis (rotator cuff tendinitis, bicipital tendinitis, lateral epicondylitis, De-Quervain's tendinitis and pes anserinus tendinitis) in FS. Twenty female patients with PFS, 20 with SFS and 20 female controls, matched by age and body mass index, participated in the study. Existence of common tendinitis was evaluated with specific examination methods. Right and left rotator cuff tendinitis, pes anserinus tendinitis and left lateral epicondylitis were significantly more common in patients with PFS and SFS than in control subjects. As a result, considering the central hyperexcitability present in the fibromyalgia patients, concomitant pathologies such as tendinitis which lead to shoulder, arm, and leg pain must be evaluated. Follow up and therapy for the disease must be planned according to these factors which are not only probable symptoms of FS, but also leading causes for the occurrence and continuity of the pain in this disease.

Fluorescent bovine serum albumin interacting with the antitussive quencher dextromethorphan: a spectroscopic insight.

PubMed

Durgannavar, Amar K; Patgar, Manjanath B; Nandibewoor, Sharanappa T; Chimatadar, Shivamurti A

2016-05-01

The interaction of dextromethorphan hydrobromide (DXM) with bovine serum albumin (BSA) is studied by using fluorescence spectra, UV-vis absorption, synchronous fluorescence spectra (SFS), 3D fluorescence spectra, Fourier transform infrared (FTIR) spectroscopy and circular dichroism under simulated physiological conditions. DXM effectively quenched the intrinsic fluorescence of BSA. Values of the binding constant, K(A), are 7.159 × 10(3), 9.398 × 10(3) and 16.101 × 10(3)  L/mol; the number of binding sites, n, and the corresponding thermodynamic parameters ΔG°, ΔH° and ΔS° between DXM and BSA were calculated at different temperatures. The interaction between DXM and BSA occurs through dynamic quenching and the effect of DXM on the conformation of BSA was analyzed using SFS. The average binding distance, r, between the donor (BSA) and acceptor (DXM) was determined based on Förster's theory. The results of fluorescence spectra, UV-vis absorption spectra and SFS show that the secondary structure of the protein has been changed in the presence of DXM. Copyright © 2015 John Wiley & Sons, Ltd.

Quantitative structural modeling on the wavelength interval (Δλ) in synchronous fluorescence spectroscopy

NASA Astrophysics Data System (ADS)

Samari, Fayezeh; Yousefinejad, Saeed

2017-11-01

Emission fluorescence spectroscopy has an extremely restricted scope of application to analyze of complex mixtures since its selectivity is reduced by the extensive spectral overlap. Synchronous fluorescence spectroscopy (SFS) is a technique enables us to analyze complex mixtures with overlapped emission and/or excitation spectra. The difference of excitation and emission wavelength of compounds (interval wavelength or Δλ) is an important characteristic in SFS. Thus a multi-parameter model was constructed to predict Δλ in 63 fluorescent compounds and the regression coefficient in training set, cross validation and test set were 0.88, 0.85 and 0.91 respectively. Furthermore, the applicability and validity of model were evaluated using different statistical methods such as y-scrambling and applicability domain. It was concluded that increasing average valence connectivity, number of Al2-NH functional group and Geary autocorrelation (lag 4) with electronegative weights can lead to increasing Δλ in the fluorescent compounds. The current study obtained an insight into the structural properties of compounds effective on their Δλ as an important parameter in SFS.

Synchronization and Inter-Layer Interactions of Noise-Driven Neural Networks

PubMed Central

Yuniati, Anis; Mai, Te-Lun; Chen, Chi-Ming

2017-01-01

In this study, we used the Hodgkin-Huxley (HH) model of neurons to investigate the phase diagram of a developing single-layer neural network and that of a network consisting of two weakly coupled neural layers. These networks are noise driven and learn through the spike-timing-dependent plasticity (STDP) or the inverse STDP rules. We described how these networks transited from a non-synchronous background activity state (BAS) to a synchronous firing state (SFS) by varying the network connectivity and the learning efficacy. In particular, we studied the interaction between a SFS layer and a BAS layer, and investigated how synchronous firing dynamics was induced in the BAS layer. We further investigated the effect of the inter-layer interaction on a BAS to SFS repair mechanism by considering three types of neuron positioning (random, grid, and lognormal distributions) and two types of inter-layer connections (random and preferential connections). Among these scenarios, we concluded that the repair mechanism has the largest effect for a network with the lognormal neuron positioning and the preferential inter-layer connections. PMID:28197088

Synchronization and Inter-Layer Interactions of Noise-Driven Neural Networks.

PubMed

Yuniati, Anis; Mai, Te-Lun; Chen, Chi-Ming

2017-01-01

In this study, we used the Hodgkin-Huxley (HH) model of neurons to investigate the phase diagram of a developing single-layer neural network and that of a network consisting of two weakly coupled neural layers. These networks are noise driven and learn through the spike-timing-dependent plasticity (STDP) or the inverse STDP rules. We described how these networks transited from a non-synchronous background activity state (BAS) to a synchronous firing state (SFS) by varying the network connectivity and the learning efficacy. In particular, we studied the interaction between a SFS layer and a BAS layer, and investigated how synchronous firing dynamics was induced in the BAS layer. We further investigated the effect of the inter-layer interaction on a BAS to SFS repair mechanism by considering three types of neuron positioning (random, grid, and lognormal distributions) and two types of inter-layer connections (random and preferential connections). Among these scenarios, we concluded that the repair mechanism has the largest effect for a network with the lognormal neuron positioning and the preferential inter-layer connections.

Total antioxidant capacity and total oxidant status of synovial fluids in patients with temporomandibular joint pain and dysfunction.

PubMed

Etöz, Osman A; Akçay, Hüseyin; Neşelioğlu, Salim; Erel, Özcan; Alkan, Alper

2012-12-01

The objective of this study was to investigate whether a relationship exists between total antioxidant capacity (TAC) and total oxidant status (TOS) of synovial fluids (SFs) of temporomandibular joint (TMJ) pain patients with pain and dysfunction. Forty-two patients with TMJ pain were included in this study. TAC and TOS values of SFs were measured with a novel colorimetric method. Independent t test and correlations were used to analyze the data. TAC of SFs in patients with TMJ pain and limited mouth opening (LMO; n = 21) were significantly lower (P = 0.03) than patients without LMO (n = 21). TOS of SF was negatively correlated with duration of the disease. There was no correlation between TAC, TOS, and VAS scores of the patients as well as age and maximum mouth opening values. Antioxidant response to oxidative changes (TAC and TOS) in SF decreased as the stage of dysfunction increased. Local administration of antioxidant agents might be considered in management of TMJ pain and dysfunction to prevent possible increased oxidative stress.

An L-band interferometric synthetic aperture radar study on the Ganos section of the north Anatolian fault zone between 2007 and 2011: Evidence for along strike segmentation and creep in a shallow fault patch.

PubMed

de Michele, Marcello; Ergintav, Semih; Aochi, Hideo; Raucoules, Daniel

2017-01-01

We utilize L-band interferometric synthetic aperture radar (InSAR) data in this study to retrieve a ground velocity map for the near field of the Ganos section of the north Anatolian fault (NAF) zone. The segmentation and creep distribution of this section, which last ruptured in 1912 to generate a moment magnitude (Mw)7.3 earthquake, remains incompletely understood. Because InSAR processing removes the mean orbital plane, we do not investigate large scale displacements due to regional tectonics in this study as these can be determined using global positioning system (GPS) data, instead concentrating on the close-to-the-fault displacement field. Our aim is to determine whether, or not, it is possible to retrieve robust near field velocity maps from stacking L-band interferograms, combining both single and dual polarization SAR data. In addition, we discuss whether a crustal velocity map can be used to complement GPS observations in an attempt to discriminate the present-day surface displacement of the Ganos fault (GF) across multiple segments. Finally, we characterize the spatial distribution of creep on shallow patches along multiple along-strike segments at shallow depths. Our results suggest the presence of fault segmentation along strike as well as creep on the shallow part of the fault (i.e. the existence of a shallow creeping patch) or the presence of a smoother section on the fault plane. Data imply a heterogeneous fault plane with more complex mechanics than previously thought. Because this study improves our knowledge of the mechanisms underlying the GF, our results have implications for local seismic hazard assessment.

An L-band interferometric synthetic aperture radar study on the Ganos section of the north Anatolian fault zone between 2007 and 2011: Evidence for along strike segmentation and creep in a shallow fault patch

PubMed Central

Ergintav, Semih; Aochi, Hideo; Raucoules, Daniel

2017-01-01

We utilize L-band interferometric synthetic aperture radar (InSAR) data in this study to retrieve a ground velocity map for the near field of the Ganos section of the north Anatolian fault (NAF) zone. The segmentation and creep distribution of this section, which last ruptured in 1912 to generate a moment magnitude (Mw)7.3 earthquake, remains incompletely understood. Because InSAR processing removes the mean orbital plane, we do not investigate large scale displacements due to regional tectonics in this study as these can be determined using global positioning system (GPS) data, instead concentrating on the close-to-the-fault displacement field. Our aim is to determine whether, or not, it is possible to retrieve robust near field velocity maps from stacking L-band interferograms, combining both single and dual polarization SAR data. In addition, we discuss whether a crustal velocity map can be used to complement GPS observations in an attempt to discriminate the present-day surface displacement of the Ganos fault (GF) across multiple segments. Finally, we characterize the spatial distribution of creep on shallow patches along multiple along-strike segments at shallow depths. Our results suggest the presence of fault segmentation along strike as well as creep on the shallow part of the fault (i.e. the existence of a shallow creeping patch) or the presence of a smoother section on the fault plane. Data imply a heterogeneous fault plane with more complex mechanics than previously thought. Because this study improves our knowledge of the mechanisms underlying the GF, our results have implications for local seismic hazard assessment. PMID:28961264

Distribution of aseismic slip rate on the Hayward fault inferred from seismic and geodetic data

USGS Publications Warehouse

Schmidt, D.A.; Burgmann, R.; Nadeau, R.M.; d'Alessio, M.

2005-01-01

We solve for the slip rate distribution on the Hayward fault by performing a least squares inversion,of geodetic and seismic data sets. Our analysis focuses on the northern 60 km of the fault. Interferometric synthetic aperture radar (InSAR) data from 13 independent ERS interferograms are stacked to obtain range change rates from 1992 to 2000. Horizontal surface displacement rates at 141 bench marks are measured using GPS from 1994 to 2003. Surface creep observations and estimates of deep slip rates determined from characteristic repeating earthquake sequences are also incorporated in the inversion. The fault is discretized into 283 triangular dislocation elements that approximate the nonplanar attributes of the fault surface. South of the city of Hayward, a steeply, east dipping fault geometry accommodates the divergence of the surface trace and the microseismicity at depth. The inferred slip rate distribution is consistent with a fault that creeps aseismically at a rate of ???5 mm/yr to a depth of 4-6 km. The interferometric synthetic aperture radar (InSAR) data require an aseismic slip rate that approaches the geologic slip rate on the northernmost fault segment beneath Point Pinole, although the InSAR data might be complicated by a small dip-slip component at this location. A low slip rate patch of <1 mm/yr is inferred beneath San Leandro consistent with the source location of the 1868 earthquake. We calculate that the entire fault is accumulating a slip rate deficit equivalent to a Mw = 6.77 ?? 0.05 per century. However, this estimate of potential coseismic moment represents an upper bound because we do not know how much of the accumulated strain will be released through aseismic processes such as afterslip. Copyright 2005 by the American Geophysical Union.

Structure and U-Pb zircon geochronology of an Alpine nappe stack telescoped by extensional detachment faulting (Kulidzhik area, Eastern Rhodopes, Bulgaria)

NASA Astrophysics Data System (ADS)

Georgiev, Neven; Froitzheim, Nikolaus; Cherneva, Zlatka; Frei, Dirk; Grozdev, Valentin; Jahn-Awe, Silke; Nagel, Thorsten J.

2016-10-01

The Rhodope Metamorphic Complex is a stack of allochthons assembled during obduction, subduction, and collision processes from Jurassic to Paleogene and overprinted by extensional detachment faults since Middle Eocene. In the study area, the following nappes occur in superposition (from base to top): an orthogneiss-dominated unit (Unit I), garnet-bearing schist with amphibolite and serpentinite lenses (Unit II), greenschist, phyllite, and calcschist with reported Jurassic microfossils (Unit III), and muscovite-rich orthogneiss (Unit IV). U-Pb dating of zircons from a K-feldspar augengneiss (Unit I) yielded a protolith age of ca. 300 Ma. Garnet-bearing metasediment from Unit II yielded an age spectrum with distinct populations between 310 and 250 Ma (detrital), ca. 150 Ma, and ca. 69 Ma (the last two of high-grade metamorphic origin). An orthogneiss from Unit IV yielded a wide spectrum of ages. The youngest population gives a concordia age of 581 ± 5 Ma, interpreted as the age of the granitic protolith. Unit I represents the Lower Allochthon (Byala Reka-Kechros Dome), Unit II the Upper Allochthon (Krumovitsa-Kimi Unit), Unit III the Uppermost Allochthon (Circum-Rhodope Belt), and Unit IV a still higher, far-travelled unit of unknown provenance. Telescoping of the entire Rhodope nappe stack to a thickness of only a few 100 m is due to Late Eocene north directed extensional shearing along the newly defined Kulidzhik Detachment which is part of a major detachment system along the northern border of the Rhodopes. Older top-to-the south mylonites in Unit I indicate that Tertiary extension evolved from asymmetric (top-to-the-south) to symmetric (top-to-the-south and top-to-the-north), bivergent unroofing.

IR-LTS a powerful non-invasive tool to observe crystal defects in as-grown silicon, after device processing, and in heteroepitaxial layers

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

Kissinger, G.; Richter, H.; Vanhellemont, J.

1996-12-01

One of the main advantages of infrared light scattering tomography (IR-LST) is the wide range of defect densities that can be studied using this technique. As-grown defects of low density and very small size as well as oxygen precipitation related defects that appear in densities up to some 1010 cm{sup -3} can be observed. As-grown wafers with a {open_quotes}stacking fault ring{close_quotes} were investigated in order to correlate the defects observed by IR-LST with the results of Secco etching and alcaline cleaning solution (SC1) treatment revealing flow pattern defects (FPDs) and crystal originated particles (COPs), respectively. These wafers were studied aftermore » a wet oxidation at 1100{degrees}C for 100 min. In processed CZ silicon wafers it was possible to identify stacking faults and prismatic punching systems directly from the IR-LST image. Brewster angle illumination is a special mode to reveal defects in epitaxial layers in a non-destructive way. Misfit dislocations in the interface between a Ge{sub 0.92}Si{sub 0.08} layer and a silicon substrate were studied using this mode that allows to observe very low dislocation densities.« less

Influence of the Starting Microstructure on the Hot Deformation Behavior of a Low Stacking Fault Energy Ni-based Superalloy

NASA Astrophysics Data System (ADS)

McCarley, Joshua; Alabbad, B.; Tin, S.

2018-03-01

The influence of varying fractions of primary gamma prime precipitates on the hot deformation and annealing behavior of an experimental Nickel-based superalloy containing 24 wt pct. Co was investigated. Billets heat treated at 1110 °C or 1135 °C were subjected to hot compression tests at temperatures ranging from 1020 °C to 1060 °C and strain rates ranging from 0.001 to 0.1/s. The microstructures were characterized using electron back scatter diffraction in the as-deformed condition as well as following a super-solvus anneal heat treatment at 1140 °C for 1 hour. This investigation sought to quantify and understand what effect the volume fraction of primary gamma prime precipitates has on the dynamic recrystallization behavior and resulting length fraction ∑3 twin boundaries in the low stacking fault superalloy following annealing. Although deformation at the lower temperatures and higher strain rates led to dynamic recrystallization for both starting microstructures, comparatively lower recrystallized fractions were observed in the 1135 °C billet microstructures deformed at strain rates of 0.1/s and 0.05/s. Subsequent annealing of the 1135 °C billet microstructures led to a higher proportion of annealing twins when compared to the annealed 1110 °C billet microstructures.

Continuum understanding of twin formation near grain boundaries of FCC metals with low stacking fault energy

NASA Astrophysics Data System (ADS)

Jung, Jaimyun; Yoon, Jae Ik; Kim, Jung Gi; Latypov, Marat I.; Kim, Jin You; Kim, Hyoung Seop

2017-12-01

Deformation twinning from grain boundaries is often observed in face-centered cubic metals with low stacking fault energy. One of the possible factors that contribute to twinning origination from grain boundaries is the intergranular interactions during deformation. Nonetheless, the influence of mechanical interaction among grains on twin evolution has not been fully understood. In spite of extensive experimental and modeling efforts on correlating microstructural features with their twinning behavior, a clear relation among the large aggregate of grains is still lacking. In this work, we characterize the micromechanics of grain-to-grain interactions that contribute to twin evolution by investigating the mechanical twins near grain boundaries using a full-field crystal plasticity simulation of a twinning-induced plasticity steel deformed in uniaxial tension at room temperature. Microstructures are first observed through electron backscatter diffraction technique to obtain data to reconstruct a statistically equivalent microstructure through synthetic microstructure building. Grain-to-grain micromechanical response is analyzed to assess the collective twinning behavior of the microstructural volume element under tensile deformation. Examination of the simulated results reveal that grain interactions are capable of changing the local mechanical behavior near grain boundaries by transferring strain across grain boundary or localizing strain near grain boundary.

Defects, strain relaxation, and compositional grading in high indium content InGaN epilayers grown by molecular beam epitaxy

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

Bazioti, C.; Kehagias, Th.; Pavlidou, E.

2015-10-21

We investigate the structural properties of a series of high alloy content InGaN epilayers grown by plasma-assisted molecular beam epitaxy, employing the deposition temperature as variable under invariant element fluxes. Using transmission electron microscopy methods, distinct strain relaxation modes were observed, depending on the indium content attained through temperature adjustment. At lower indium contents, strain relaxation by V-pit formation dominated, with concurrent formation of an indium-rich interfacial zone. With increasing indium content, this mechanism was gradually substituted by the introduction of a self-formed strained interfacial InGaN layer of lower indium content, as well as multiple intrinsic basal stacking faults andmore » threading dislocations in the rest of the film. We show that this interfacial layer is not chemically abrupt and that major plastic strain relaxation through defect introduction commences upon reaching a critical indium concentration as a result of compositional pulling. Upon further increase of the indium content, this relaxation mode was again gradually succeeded by the increase in the density of misfit dislocations at the InGaN/GaN interface, leading eventually to the suppression of the strained InGaN layer and basal stacking faults.« less

Analysis of twin defects in GaAs(111)B molecular beam epitaxy growth

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

Park, Yeonjoon; Cich, Michael J.; Zhao, Rian

2000-05-01

The formation of twin is common during GaAs(111) and GaN(0001) molecular beam epitaxy (MBE) metalorganic chemical vapor deposition growth. A stacking fault in the zinc-blende (ZB)(111) direction can be described as an insertion of one monolayer of wurtzite structure, sandwiched between two ZB structures that have been rotated 60 degree sign along the growth direction. GaAs(111)A/B MBE growth within typical growth temperature regimes is complicated by the formation of pyramidal structures and 60 degree sign rotated twins, which are caused by faceting and stacking fault formation. Although previous studies have revealed much about the structure of these twins, a well-establishedmore » simple nondestructive characterization method which allows the measurement of total aerial density of the twins does not exist at present. In this article, the twin density of AlGaAs layers grown on 1 degree sign miscut GaAs(111)B substrates has been measured using high resolution x-ray diffraction, and characterized with a combination of Nomarski microscopy, atomic force microscopy, and transmission electron microscopy. These comparisons permit the relationship between the aerial twin density and the growth condition to be determined quantitatively. (c) 2000 American Vacuum Society.« less

Local spin structure of the α -RuCl3 honeycomb-lattice magnet observed via muon spin rotation/relaxation

NASA Astrophysics Data System (ADS)

Yamauchi, Ichihiro; Hiraishi, Masatoshi; Okabe, Hirotaka; Takeshita, Soshi; Koda, Akihiro; Kojima, Kenji M.; Kadono, Ryosuke; Tanaka, Hidekazu

2018-04-01

We report a muon spin rotation/relaxation (μ SR ) study of single-crystalline samples of the α -RuCl3 honeycomb magnet, which is presumed to be a model compound for the Kitaev-Heisenberg interaction. It is inferred from magnetic susceptibility and specific-heat measurements that the present samples exhibit successive magnetic transitions at different critical temperatures TN with decreasing temperature, eventually falling into the TN=7 K antiferromagnetic (7 K) phase that has been observed in only single-crystalline specimens with the least stacking fault. Via μ SR measurements conducted under a zero external field, we show that such behavior originates from a phase separation induced by the honeycomb plane stacking fault, yielding multiple domains with different TN's. We also perform μ SR measurements under a transverse field in the paramagnetic phase to identify the muon site from the muon-Ru hyperfine parameters. Based on a comparison of the experimental and calculated internal fields at the muon site for the two possible spin structures inferred from neutron diffraction data, we suggest a modulated zigzag spin structure for the 7 K phase, with the amplitude of the ordered magnetic moment being significantly reduced from that expected for the orbital quenched spin-1/2 state.

A molecular dynamics simulation study of irradiation induced defects in gold nanowire

NASA Astrophysics Data System (ADS)

Liu, Wenqiang; Chen, Piheng; Qiu, Ruizhi; Khan, Maaz; Liu, Jie; Hou, Mingdong; Duan, Jinglai

2017-08-01

Displacement cascade in gold nanowires was studied using molecular dynamics computer simulations. Primary knock-on atoms (PKAs) with different kinetic energies were initiated either at the surface or at the center of the nanowires. We found three kinds of defects that were induced by the cascade, including point defects, stacking faults and crater at the surface. The starting points of PKAs influence the number of residual point defects, and this consequently affect the boundary of anti-radiation window which was proposed by calculation of diffusion of point defects to the free surface of nanowires. Formation of stacking faults that expanded the whole cross-section of gold nanowires was observed when the PKA's kinetic energy was higher than 5 keV. Increasing the PKA's kinetic energy up to more than 10 keV may lead to the formation of crater at the surface of nanowires due to microexplosion of hot atoms. At this energy, PKAs started from the center of nanowires can also result in the creation of crater because length of cascade region is comparable to diameter of nanowires. Both the two factors, namely initial positions of PKAs as well as the craters induced by higher energy irradiation, would influence the ability of radiation resistance of metal nanowires.

Nitrate-cancrinite precipitation on quartz sand in simulated Hanford tank solutions.

PubMed

Bickmore, B R; Nagy, K L; Young, J S; Drexler, J W

2001-11-15

Caustic NaNO3 solutions containing dissolved Al were reacted with quartz sand at 89 degrees C to simulate possible reactions between leaked nuclear waste and primary subsurface minerals at the U.S. Department of Energy's Hanford site in Washington. Nitrate-cancrinite began to precipitate onto the quartz after 2-10 days, cementing the grains together. Estimates of the equilibrium constant for the precipitation reaction differ for solutions with 0.1 or 1.0 m OH- (log Keq = 30.4 +/- 0.8 and 36.2 +/- 0.6, respectively). The difference in solubility may be attributable to more perfect crystallinity (i.e., fewer stacking faults) in the higher-pH cancrinite structure. This is supported by electron micrographs of crystal morphology and measured rates of Na volatilization under an electron beam. Precipitate crystallinity may affect radionuclide mobility, because stacking faults in the cancrinite structure can diminish its zeolitic cation exchange properties. The precipitation rate near the onset of nucleation depends on the total Al and Si concentrations in solution. The evolution of experimental Si concentrations was modeled by considering the dependence of quartz dissolution rate on AI(OH)4- activity, cancrinite precipitation, and the reduction of reactive surface area of quartz due to coverage by cancrinite.

Hydrogen Cracking in Gas Tungsten Arc Welding of an AISI Type 321 Stainless Steel

NASA Astrophysics Data System (ADS)

Rozenak, P.; Unigovski, Ya.; Shneck, R.

The effects of in situ cathodic charging on the tensile properties and susceptibility to cracking of an AISI type 321 stainless steel, welded by the gas tungsten arc welding (GTAW) process, was studied by various treatments. Appearance of delta-ferrite phase in the as-welded steels in our tested conditions was observed with discontinuous grain boundaries (M23C6) and a dense distribution of metal carbides MC ((Ti, Nb)C), which precipitated in the matrix. Shielding gas rates changes the mechanical properties of the welds. Ultimate tensile strength and ductility are increases with the resistance to the environments related the increase of the supplied shielding inert gas rates. Charged specimens, caused mainly in decreases in the ductility of welded specimens. However, more severe decrease in ductility was obtained after post weld heat treatment (PWHT). The fracture of sensitized specimens was predominantly intergranular, whereas the as-welded specimens exhibited massive transgranular regions. Both types of specimen demonstrated narrow brittle zones at the sides of the fracture surface and ductile micro-void coalescences in the middle. Ferrite δ was form after welding with high density of dislocation structures and stacking faults formation and the thin stacking fault plates with e-martensite phase were typically found in the austenitic matrix after the cathodical charging process.

A seismic refraction and reflection study across the central San Jacinto Basin, Southern California

USGS Publications Warehouse

Lee, T.-C.; Biehler, S.; Park, S.K.; Stephenson, W.J.

1996-01-01

The San Jacinto Basin is a northwest-trending, pullapart basin in the San Jacinto fault zone of the San Andreas fault system in southern California. About 24 km long and 2 to 4 km wide, the basin sits on a graben bounded by two strands of the San Jacinto fault zone: the Claremont Fault on the northeast and the Casa Loma Fault on the southwest. We present a case study of shallow structure (less than 1 km) in the central basin. A 2.75-km refraction line running from the northeast to southwest across the regional structural trend reveals a groundwater barrier (Offset I). Another line, bent southward and continued for 1.65-km, shows a crystalline basement offset (Offset III) near an inferred trace of the Casa Loma Fault. Although a basement refractor was not observed along the 2.75-km line, a mismatch between the estimate of its minimum depth and the basement depth determined for the 1.65-km line suggests that an offset in the basement (greater than 260 m) exists around the junction of the two refraction lines (Offset II). By revealing more faults and subtle sedimentary structures, the reflection stack sections confirm the two refraction offsets as faults. Offsets I and III each separate sediments of contrasting structures and, in addition. Offset III disrupts an unconformity. However, the sense and amount of the offset across Offset III contradict what may be expected across the Casa Loma Fault, which has its basinward basement down-thrown to about 2.5 km in the better defined southeastern part of the graben. The Casa Loma Fault trace has been mislinked in the existing geological maps and the trace should be remapped to Offset II where the reflector disruptions spread over a 400-m wide zone. Our Offset III is an unnamed, concealed fault.

Structure of the Wagner Basin in the Northern Gulf of California From Interpretation of Seismic Reflexion Data

NASA Astrophysics Data System (ADS)

Gonzalez, M.; Aguilar, C.; Martin, A.

2007-05-01

The northern Gulf of California straddles the transition in the style of deformation along the Pacific-North America plate boundary, from distributed deformation in the Upper Delfin and Wagner basins to localized dextral shear along the Cerro Prieto transform fault. Processing and interpretation of industry seismic data adquired by Petroleos Mexicanos (PEMEX) allow us to map the main fault structures and depocenters in the Wagner basin and to unravel the way strain is transferred northward into the Cerro Prieto fault system. Seismic data records from 0.5 to 5 TWTT. Data stacking and time-migration were performed using semblance coefficient method. Subsidence in the Wagner basin is controlled by two large N-S trending sub-parallel faults that intersect the NNW-trending Cerro Prieto transform fault. The Wagner fault bounds the eastern margin of the basin for more than 75 km. This fault dips ~50° to the west (up to 2 seconds) with distinctive reflectors displaced more than 1 km across the fault zone. The strata define a fanning pattern towards the Wagner fault. Northward the Wagner fault intersects the Cerro Prieto fault at 130° on map view and one depocenter of the Wagner basin bends to the NW adjacent to the Cerro Prieto fault zone. The eastern boundary of the modern depocenter is the Consag fault, which extends over 100 km in a N-S direction with an average dip of ~50° (up to 2s) to the east. The northern segment of the Consag fault bends 25° and intersects the Cerro Prieto fault zone at an angle of 110° on map view. The acoustic basement was not imaged in the northwest, but the stratigraphic succession increases its thickness towards the depocenter of the Wagner basin. Another important structure is El Chinero fault, which runs parallel to the Consag fault along 60 km and possibly intersects the Cerro Prieto fault to the north beneath the delta of the Colorado River. El Chinero fault dips at low-angle (~30°) to the east and has a vertical offset of about 0.5 seconds (TWTT). Seismic imaging indicates that the Wagner and Consag faults transfer most of their slip to the Cerro Prieto fault. Moreover, the 130° intersection between the Wagner and Cerro Prieto faults suggests that the Wagner fault has a significant strike-slip component. Our results indicate that most of the strain in this plate boundary is transferred along two main sub-parallel oblique faults in a narrow zone 35 km-wide.

CIT-9: A Fault-Free Gmelinite Zeolite.

PubMed

Dusselier, Michiel; Kang, Jong Hun; Xie, Dan; Davis, Mark E

2017-10-16

A synthetic, fault-free gmelinite (GME) zeolite is prepared using a specific organic structure-directing agent (OSDA), cis-3,5-dimethylpiperidinium. The cis-isomers align in the main 12-membered ring (MR) channel of GME. Trans-isomer OSDA leads to the small-pore zeolite SSZ-39 with the OSDA in its cages. Data from N 2 -physisorption and rotation electron diffraction provide evidence for the openness of the 12 MR channel in the GME 12×8×8 pore architecture and the absence of stacking faults, respectively. CIT-9 is hydrothermally stable when K + -exchanged, while in the absence of exchange, the material transforms into an aluminous AFI-zeolite. The process of this phase-change was followed by in situ variable temperature powder X-ray diffraction. CIT-9 has the highest Si/Al ratio reported for GME, and along with its good porosity, opens the possibility of using GME in a variety of applications including catalysis. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Mapping tectonic and anthropogenic processes in central California using satellite and airborne InSAR

NASA Astrophysics Data System (ADS)

Liu, Z.; Lundgren, P.; Liang, C.; Farr, T. G.; Fielding, E. J.

2017-12-01

The improved spatiotemporal resolution of surface deformation from recent satellite and airborne InSAR measurements provides a great opportunity to improve our understanding of both tectonic and non-tectonic processes. In central California the primary plate boundary fault system (San Andreas fault) lies adjacent to the San Joaquin Valley (SJV), a vast structural trough that accounts for about one-sixth of the United Sates' irrigated land and one-fifth of its extracted groundwater. The central San Andreas fault (CSAF) displays a range of fault slip behavior with creeping in its central segment that decreases towards its northwest and southeast ends, where it transitions to being fully locked. Despite much progress, many questions regarding fault and anthropogenic processes in the region still remain. In this study, we combine satellite InSAR and NASA airborne UAVSAR data to image fault and anthropogenic deformation. The UAVSAR data cover fault perpendicular swaths imaged from opposing look directions and fault parallel swaths since 2009. The much finer spatial resolution and optimized viewing geometry provide important constraints on near fault deformation and fault slip at very shallow depth. We performed a synoptic InSAR time series analysis using Sentinel-1, ALOS, and UAVSAR interferograms. We estimate azimuth mis-registration between single look complex (SLC) images of Sentinel-1 in a stack sense to achieve accurate azimuth co-registration between SLC images for low coherence and/or long interval interferometric pairs. We show that it is important to correct large-scale ionosphere features in ALOS-2 ScanSAR data for accurate deformation measurements. Joint analysis of UAVSAR and ALOS interferometry measurements show clear variability in deformation along the fault strike, suggesting variable fault creep and locking at depth and along strike. In addition to fault creep, the L-band ALOS, and especially ALOS-2 ScanSAR interferometry, show large-scale ground subsidence in the SJV due to over-exploitation of groundwater. InSAR time series are compared to GPS and well-water hydraulic head in-situ time series to understand water storage processes and mass loading changes. We present model results to assess the influence of anthropogenic processes on surface deformation and fault mechanics.

DESCARTES' RULE OF SIGNS AND THE IDENTIFIABILITY OF POPULATION DEMOGRAPHIC MODELS FROM GENOMIC VARIATION DATA.

PubMed

Bhaskar, Anand; Song, Yun S

2014-01-01

The sample frequency spectrum (SFS) is a widely-used summary statistic of genomic variation in a sample of homologous DNA sequences. It provides a highly efficient dimensional reduction of large-scale population genomic data and its mathematical dependence on the underlying population demography is well understood, thus enabling the development of efficient inference algorithms. However, it has been recently shown that very different population demographies can actually generate the same SFS for arbitrarily large sample sizes. Although in principle this nonidentifiability issue poses a thorny challenge to statistical inference, the population size functions involved in the counterexamples are arguably not so biologically realistic. Here, we revisit this problem and examine the identifiability of demographic models under the restriction that the population sizes are piecewise-defined where each piece belongs to some family of biologically-motivated functions. Under this assumption, we prove that the expected SFS of a sample uniquely determines the underlying demographic model, provided that the sample is sufficiently large. We obtain a general bound on the sample size sufficient for identifiability; the bound depends on the number of pieces in the demographic model and also on the type of population size function in each piece. In the cases of piecewise-constant, piecewise-exponential and piecewise-generalized-exponential models, which are often assumed in population genomic inferences, we provide explicit formulas for the bounds as simple functions of the number of pieces. Lastly, we obtain analogous results for the "folded" SFS, which is often used when there is ambiguity as to which allelic type is ancestral. Our results are proved using a generalization of Descartes' rule of signs for polynomials to the Laplace transform of piecewise continuous functions.

DESCARTES’ RULE OF SIGNS AND THE IDENTIFIABILITY OF POPULATION DEMOGRAPHIC MODELS FROM GENOMIC VARIATION DATA1

PubMed Central

Bhaskar, Anand; Song, Yun S.

2016-01-01

The sample frequency spectrum (SFS) is a widely-used summary statistic of genomic variation in a sample of homologous DNA sequences. It provides a highly efficient dimensional reduction of large-scale population genomic data and its mathematical dependence on the underlying population demography is well understood, thus enabling the development of efficient inference algorithms. However, it has been recently shown that very different population demographies can actually generate the same SFS for arbitrarily large sample sizes. Although in principle this nonidentifiability issue poses a thorny challenge to statistical inference, the population size functions involved in the counterexamples are arguably not so biologically realistic. Here, we revisit this problem and examine the identifiability of demographic models under the restriction that the population sizes are piecewise-defined where each piece belongs to some family of biologically-motivated functions. Under this assumption, we prove that the expected SFS of a sample uniquely determines the underlying demographic model, provided that the sample is sufficiently large. We obtain a general bound on the sample size sufficient for identifiability; the bound depends on the number of pieces in the demographic model and also on the type of population size function in each piece. In the cases of piecewise-constant, piecewise-exponential and piecewise-generalized-exponential models, which are often assumed in population genomic inferences, we provide explicit formulas for the bounds as simple functions of the number of pieces. Lastly, we obtain analogous results for the “folded” SFS, which is often used when there is ambiguity as to which allelic type is ancestral. Our results are proved using a generalization of Descartes’ rule of signs for polynomials to the Laplace transform of piecewise continuous functions. PMID:28018011

What are school leavers' priorities for festival preparation?

PubMed

Hutton, Alison; Cusack, Lynette; Zannettino, Lana; Shaefer, Sarah J M; Verdonk, Naomi; Arbon, Paul

2015-01-01

This paper reports on the findings from a qualitative research study that explored how young people prepared to minimise and/or avoid alcohol-related harm while attending a Schoolies Festival (SF). SFs are mass gatherings at which young people (schoolies) celebrate their graduation from high school. The attendance of schoolies, in various Australian communities, ranges between 10 000 and 30 000 individuals during the event. The literature suggests that schoolies are at higher than normal risk of harm at SF from misuse of alcohol, unsafe sex, aggressive behaviour, and other risk-taking factors. As a result of these concerns, SF organisers developed an infrastructure that treats alcohol-related harm, and provides on-site care (first aid stations) by St John Ambulance staff. This study used focus groups to identify strategies used by schoolies to avoid alcohol-related harm during SFs. Data revealed that schoolies did not actively seek health information before attending the event and did not display an interest in doing so. It is important to note that schoolies planned to use alcohol to celebrate and have a good time. Therefore a harm minimisation approach with a focus on providing the necessary infrastructure at SFs to minimise the dangers associated with excess alcohol use is important. Schoolies indicated that they had no desire for information about the hazards of alcohol ingestion. If any health messages were to be used by health authorities, it would be far more appropriate to promote the message of 'take care of your mate', to contribute to building a supportive environment at the event. This may be of more benefit to minimise harm at SFs than funding other health messages.

The Impact of Selection, Gene Conversion, and Biased Sampling on the Assessment of Microbial Demography.

PubMed

Lapierre, Marguerite; Blin, Camille; Lambert, Amaury; Achaz, Guillaume; Rocha, Eduardo P C

2016-07-01

Recent studies have linked demographic changes and epidemiological patterns in bacterial populations using coalescent-based approaches. We identified 26 studies using skyline plots and found that 21 inferred overall population expansion. This surprising result led us to analyze the impact of natural selection, recombination (gene conversion), and sampling biases on demographic inference using skyline plots and site frequency spectra (SFS). Forward simulations based on biologically relevant parameters from Escherichia coli populations showed that theoretical arguments on the detrimental impact of recombination and especially natural selection on the reconstructed genealogies cannot be ignored in practice. In fact, both processes systematically lead to spurious interpretations of population expansion in skyline plots (and in SFS for selection). Weak purifying selection, and especially positive selection, had important effects on skyline plots, showing patterns akin to those of population expansions. State-of-the-art techniques to remove recombination further amplified these biases. We simulated three common sampling biases in microbiological research: uniform, clustered, and mixed sampling. Alone, or together with recombination and selection, they further mislead demographic inferences producing almost any possible skyline shape or SFS. Interestingly, sampling sub-populations also affected skyline plots and SFS, because the coalescent rates of populations and their sub-populations had different distributions. This study suggests that extreme caution is needed to infer demographic changes solely based on reconstructed genealogies. We suggest that the development of novel sampling strategies and the joint analyzes of diverse population genetic methods are strictly necessary to estimate demographic changes in populations where selection, recombination, and biased sampling are present. © The Author 2016. Published by Oxford University Press on behalf of the Society for Molecular Biology and Evolution.

Robust real-time fault tracking for the 2011 Mw 9.0 Tohoku earthquake based on the phased-array-interference principle

NASA Astrophysics Data System (ADS)

Zhang, Yong; Wang, Rongjiang; Parolai, Stefano; Zschau, Jochen

2013-04-01

Based on the principle of the phased array interference, we have developed an Iterative Deconvolution Stacking (IDS) method for real-time kinematic source inversion using near-field strong-motion and GPS networks. In this method, the seismic and GPS stations work like an array radar. The whole potential fault area is scanned patch by patch by stacking the apparent source time functions, which are obtained through deconvolution between the recorded seismograms and synthetic Green's functions. Once some significant source signals are detected any when and where, their signatures are removed from the observed seismograms. The procedure is repeated until the accumulative seismic moment being found converges and the residual seismograms are reduced below the noise level. The new approach does not need any artificial constraint used in the source parameterization such as, for example, fixing the hypocentre, restricting the rupture velocity and rise time, etc. Thus, it can be used for automatic real-time source inversion. In the application to the 2011 Tohoku earthquake, the IDS method is proved to be robust and reliable on the fast estimation of moment magnitude, fault area, rupture direction, and maximum slip, etc. About at 100 s after the rupture initiation, we can get the information that the rupture mainly propagates along the up-dip direction and causes a maximum slip of 17 m, which is enough to release a tsunami early warning. About two minutes after the earthquake occurrence, the maximum slip is found to be 31 m, and the moment magnitude reaches Mw8.9 which is very close to the final moment magnitude (Mw9.0) of this earthquake.

Seismic Imaging of the West Napa Fault in Napa, California

NASA Astrophysics Data System (ADS)

Goldman, M.; Catchings, R.; Chan, J. H.; Sickler, R. R.; Nevitt, J. M.; Criley, C.

2017-12-01

In October 2016, we acquired high-resolution P- and S-wave seismic data along a 120-m-long, SW-NE-trending profile in Napa, California. Our seismic survey was designed to image a strand of the West Napa Fault Zone (WNFZ), which ruptured during the 24 August 2014 Mw 6.0 South Napa Earthquake. We separately acquired P- and S-wave data at every station using multiple hammer hits, which were edited and stacked into individual shot gathers in the lab. Each shot was co-located with and recorded by 118 P-wave (40-Hz) geophones, spaced at 1 m, and by 180 S-wave (4.5-Hz) geophones, spaced at 1 m. We developed both P- and S-wave tomographic velocity models, as well as Poisson's ratio and a Vp/Vs ratio models. We observed a well-defined zone of elevated Vp/Vs ratios below about 10 m depth, centered beneath the observed surface rupture. P-wave reflection images show that the fault forms a flower-structure in the upper few tens of meters. This method has been shown to delineate fault structures even in areas of rough terrain.

Multi-interferogram method for measuring interseismic deformation: Denali Fault, Alaska

USGS Publications Warehouse

Biggs, Juliet; Wright, Tim; Lu, Zhong; Parsons, Barry

2007-01-01

Studies of interseismic strain accumulation are crucial to our understanding of continental deformation, the earthquake cycle and seismic hazard. By mapping small amounts of ground deformation over large spatial areas, InSAR has the potential to produce continental-scale maps of strain accumulation on active faults. However, most InSAR studies to date have focused on areas where the coherence is relatively good (e.g. California, Tibet and Turkey) and most analysis techniques (stacking, small baseline subset algorithm, permanent scatterers, etc.) only include information from pixels which are coherent throughout the time-span of the study. In some areas, such as Alaska, where the deformation rate is small and coherence very variable, it is necessary to include information from pixels which are coherent in some but not all interferograms. We use a three-stage iterative algorithm based on distributed scatterer interferometry. We validate our method using synthetic data created using realistic parameters from a test site on the Denali Fault, Alaska, and present a preliminary result of 10.5 ?? 5.0 mm yr-1 for the slip rate on the Denali Fault based on a single track of radar data from ERS1/2. ?? 2007 The Authors Journal compilation ?? 2007 RAS.

Structure Deformation of the Minjiang and Huya Fault, the Eastern Margin of the Tibetan Plateau Revealed by Deep Seismic Reflection Profiles

NASA Astrophysics Data System (ADS)

Gao, R.; Wang, H.; Li, W.; Li, H.

2014-12-01

The Minshan region, located along the eastern margin of the Tibetan Plateau north of the Sichuan Basin, provides an important natural laboratory in which to study the patterns of deformation and their relationship to mountain building at the margin of the plateau. The Minshan range is bounded by the Minjiang fault to the west and Huya fault to the east. Evidence from the Neotectonics sediments suggests that deformation along the western Min Shan may reflect the surface response to thickening of a weak lower crust at the margin of the Tibetan Plateau (Kirby et al., 2000). In 2014, two deep seismic profiles was carried out across the Minjiang fault (55 km long) and Huya fault (45 km long) respectively, supported by China geological survey project (No.1212011220260) and Crust Probe Project of China (SinoProbe-02-01). The recording of seismic waves from 4 big shots (500kg), 100 middle shots (120 kg) and 400 small shots (36 kg) were employed. The geophones spacing is 50 m. The preliminary stack sections provide us a detailed deformation mechanism of the Minshan region for the first time. The result shows that: (1) The Huya fault section shows different reflection characteristics on the west and east flank. (2) The Moho reflection beneath the Huya fault, which appeared at 12-13 s two-way time, tilts from the east to the west. (3) The Minjiang fault shows as a series of thrust nappe in the upper crust. (4) A strong reflector appears in the middle crust of the Minjiang section at 8-9 s two-way times, and it dips down to the lower crust from west to east.

High-Resolution Seismic Reflection Profiling Across the Black Hills Fault, Clark County, Nevada: Preliminary Results

NASA Astrophysics Data System (ADS)

Zaragoza, S. A.; Snelson, C. M.; Jernsletten, J. A.; Saldana, S. C.; Hirsch, A.; McEwan, D.

2005-12-01

The Black Hills fault (BHF) is located in the central Basin and Range Province of western North America, a region that has undergone significant Cenozoic extension. The BHF is an east-dipping normal fault that forms the northwestern structural boundary of the Eldorado basin and lies ~20 km southeast of Las Vegas, Nevada. A recent trench study indicated that the fault offsets Holocene strata, and is capable of producing Mw 6.4-6.8 earthquakes. These estimates indicate a subsurface rupture length at least 10 km greater than the length of the scarp. This poses a significant hazard to structures such as the nearby Hoover Dam Bypass Bridge, which is being built to withstand a Mw 6.2-7.0 earthquake on local faults. If the BHF does continue in the subsurface, this structure, as well as nearby communities (Las Vegas, Boulder City, and Henderson), may not be as safe as previously expected. Previous attempts to image the fault with shallow seismics (hammer source) were inconclusive. However, gravity studies imply that the fault continues south of the scarp. Therefore, a new experiment utilizing high-resolution seismic reflection was performed to image subsurface geologic structures south of the scarp. At each shot point, a stack of four 30-160 Hz vibroseis sweeps of 15 s duration was recorded on a 60-channel system with 40 Hz geophones. This produced two 300 m reflection profiles, with a maximum depth of 500-600 m. A preliminary look at these data indicates the existence of two faults, potentially confirming that the BHF continues in the subsurface south of the scarp.

The lithosphere-asthenosphere boundary beneath the South Island of New Zealand

NASA Astrophysics Data System (ADS)

Hua, Junlin; Fischer, Karen M.; Savage, Martha K.

2018-02-01

Lithosphere-asthenosphere boundary (LAB) properties beneath the South Island of New Zealand have been imaged by Sp receiver function common-conversion point stacking. In this transpressional boundary between the Australian and Pacific plates, dextral offset on the Alpine fault and convergence have occurred for the past 20 My, with the Alpine fault now bounded by Australian plate subduction to the south and Pacific plate subduction to the north. Using data from onland seismometers, especially the 29 broadband stations of the New Zealand permanent seismic network (GeoNet), we obtained 24,971 individual receiver functions by extended-time multi-taper deconvolution, and mapped them to three-dimensional space using a Fresnel zone approximation. Pervasive strong positive Sp phases are observed in the LAB depth range indicated by surface wave tomography. These phases are interpreted as conversions from a velocity decrease across the LAB. In the central South Island, the LAB is observed to be deeper and broader to the northwest of the Alpine fault. The deeper LAB to the northwest of the Alpine fault is consistent with models in which oceanic lithosphere attached to the Australian plate was partially subducted, or models in which the Pacific lithosphere has been underthrust northwest past the Alpine fault. Further north, a zone of thin lithosphere with a strong and vertically localized LAB velocity gradient occurs to the northwest of the fault, juxtaposed against a region of anomalously weak LAB conversions to the southeast of the fault. This structure could be explained by lithospheric blocks with contrasting LAB properties that meet beneath the Alpine fault, or by the effects of Pacific plate subduction. The observed variations in LAB properties indicate strong modification of the LAB by the interplay of convergence and strike-slip deformation along and across this transpressional plate boundary.

Aftershocks of microearthquakes as probes of the mechanics of rupture

NASA Astrophysics Data System (ADS)

Rubin, Allan M.

2002-07-01

Using a waveform cross-correlation technique, Rubin and Gillard [2000] obtained precise relative locations for 4300 0.5 < M < 3.5 earthquakes occurring along 50 km of the San Andreas fault. This study adds to that another 5000 earthquakes distributed along 10 km of the San Andreas fault and 20 km of the Calaveras fault. Errors in relative location are typically tens of meters for earthquakes separated by hundreds of meters and, after correcting for time-dependent station delays, meters for earthquakes separated by tens of meters. Along both faults, the minimum separation between consecutive earthquakes scales with magnitude in a manner consistent with a magnitude-independent stress drop. By treating each earthquake on the San Andreas as if it were a main shock, scaling the distances to all subsequent earthquakes by main shock size, and stacking the results, a ``composite'' aftershock sequence is produced that has many of the characteristics predicted by rate-and-state friction models. Projected onto the fault surface, these aftershocks outline a quasi-elliptical, roughly 4-MPa stress drop main shock elongate in the slip-parallel direction by ~40%. At the ends of the major axes of this ellipse over twice as many aftershocks occur to the NW than to the SE, an asymmetry attributed to the contrast in material properties across the fault. Unlike the San Andreas, the Calaveras fault exhibits little P wave velocity contrast and no discernible aftershock asymmetry; however, the earliest part of the aftershock sequence on the Calaveras might be truncated by the ~30-s ``blind'' time of the network following a triggering event.

Spectral element modelling of fault-plane reflections arising from fluid pressure distributions

USGS Publications Warehouse

Haney, M.; Snieder, R.; Ampuero, J.-P.; Hofmann, R.

2007-01-01

The presence of fault-plane reflections in seismic images, besides indicating the locations of faults, offers a possible source of information on the properties of these poorly understood zones. To better understand the physical mechanism giving rise to fault-plane reflections in compacting sedimentary basins, we numerically model the full elastic wavefield via the spectral element method (SEM) for several different fault models. Using well log data from the South Eugene Island field, offshore Louisiana, we derive empirical relationships between the elastic parameters (e.g. P-wave velocity and density) and the effective-stress along both normal compaction and unloading paths. These empirical relationships guide the numerical modelling and allow the investigation of how differences in fluid pressure modify the elastic wavefield. We choose to simulate the elastic wave equation via SEM since irregular model geometries can be accommodated and slip boundary conditions at an interface, such as a fault or fracture, are implemented naturally. The method we employ for including a slip interface retains the desirable qualities of SEM in that it is explicit in time and, therefore, does not require the inversion of a large matrix. We performa complete numerical study by forward modelling seismic shot gathers over a faulted earth model using SEM followed by seismic processing of the simulated data. With this procedure, we construct post-stack time-migrated images of the kind that are routinely interpreted in the seismic exploration industry. We dip filter the seismic images to highlight the fault-plane reflections prior to making amplitude maps along the fault plane. With these amplitude maps, we compare the reflectivity from the different fault models to diagnose which physical mechanism contributes most to observed fault reflectivity. To lend physical meaning to the properties of a locally weak fault zone characterized as a slip interface, we propose an equivalent-layer model under the assumption of weak scattering. This allows us to use the empirical relationships between density, velocity and effective stress from the South Eugene Island field to relate a slip interface to an amount of excess pore-pressure in a fault zone. ?? 2007 The Authors Journal compilation ?? 2007 RAS.

Resilience Design Patterns - A Structured Approach to Resilience at Extreme Scale (version 1.1)

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

Hukerikar, Saurabh; Engelmann, Christian

Reliability is a serious concern for future extreme-scale high-performance computing (HPC) systems. Projections based on the current generation of HPC systems and technology roadmaps suggest the prevalence of very high fault rates in future systems. The errors resulting from these faults will propagate and generate various kinds of failures, which may result in outcomes ranging from result corruptions to catastrophic application crashes. Therefore the resilience challenge for extreme-scale HPC systems requires management of various hardware and software technologies that are capable of handling a broad set of fault models at accelerated fault rates. Also, due to practical limits on powermore » consumption in HPC systems future systems are likely to embrace innovative architectures, increasing the levels of hardware and software complexities. As a result the techniques that seek to improve resilience must navigate the complex trade-off space between resilience and the overheads to power consumption and performance. While the HPC community has developed various resilience solutions, application-level techniques as well as system-based solutions, the solution space of HPC resilience techniques remains fragmented. There are no formal methods and metrics to investigate and evaluate resilience holistically in HPC systems that consider impact scope, handling coverage, and performance & power efficiency across the system stack. Additionally, few of the current approaches are portable to newer architectures and software environments that will be deployed on future systems. In this document, we develop a structured approach to the management of HPC resilience using the concept of resilience-based design patterns. A design pattern is a general repeatable solution to a commonly occurring problem. We identify the commonly occurring problems and solutions used to deal with faults, errors and failures in HPC systems. Each established solution is described in the form of a pattern that addresses concrete problems in the design of resilient systems. The complete catalog of resilience design patterns provides designers with reusable design elements. We also define a framework that enhances a designer's understanding of the important constraints and opportunities for the design patterns to be implemented and deployed at various layers of the system stack. This design framework may be used to establish mechanisms and interfaces to coordinate flexible fault management across hardware and software components. The framework also supports optimization of the cost-benefit trade-offs among performance, resilience, and power consumption. The overall goal of this work is to enable a systematic methodology for the design and evaluation of resilience technologies in extreme-scale HPC systems that keep scientific applications running to a correct solution in a timely and cost-efficient manner in spite of frequent faults, errors, and failures of various types.« less