Development of High Quality 4H-SiC Thick Epitaxy for Reliable High Power Electronics Using Halogenated Precursors

DTIC Science & Technology

2016-08-02

epitaxy platform, it is essential that malignant defects, such as in-grown stacking faults (IGSFs) and basal plane dislocations (BPDs), be...crystal quality. (5) Even though the inlet C/Si ratio is kept fixed , the C/Si ratio at the growth surface varies depending on the different gas...morphology, and quality (generation of additional defects). Two CVD reactor types, a chimney reactor and an inverted chimney reactor, are assembled; the

Epitaxial relationship of semipolar s-plane (1101) InN grown on r-plane sapphire

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

Dimitrakopulos, G. P.

2012-07-02

The heteroepitaxy of semipolar s-plane (1101) InN grown directly on r-plane sapphire by plasma-assisted molecular beam epitaxy is studied using transmission electron microscopy techniques. The epitaxial relationship is determined to be (1101){sub InN} Parallel-To (1102){sub Al{sub 2O{sub 3}}}, [1120]{sub InN} Parallel-To [2021]{sub Al{sub 2O{sub 3}}}, [1102]{sub InN}{approx} Parallel-To [0221]{sub Al{sub 2O{sub 3}}}, which ensures a 0.7% misfit along [1120]{sub InN}. Two orientation variants are identified. Proposed geometrical factors contributing to the high density of basal stacking faults, partial dislocations, and sphalerite cubic pockets include the misfit accommodation and reduction, as well as the accommodation of lattice twist.

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.

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.

Microstructural dependency of optical properties of m-plane InGaN multiple quantum wells grown on 2° misoriented bulk GaN substrates

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

Tang, Fengzai; Barnard, Jonathan S.; Zhu, Tongtong

A non-polar m-plane structure consisting of five InGaN/GaN quantum wells (QWs) was grown on ammonothermal bulk GaN by metal-organic vapor phase epitaxy. Surface step bunches propagating through the QW stack were found to accommodate the 2° substrate miscut towards the -c direction. Both large steps with heights of a few tens of nanometres and small steps between one and a few atomic layers in height are observed, the former of which exhibit cathodoluminescence at longer wavelengths than the adjacent m-plane terraces. This is attributed to the formation of semi-polar facets at the steps on which the QWs are shown tomore » be thicker and have higher Indium contents than those in the adjacent m-plane regions. Discrete basal-plane stacking faults (BSFs) were occasionally initiated from the QWs on the main m-plane terraces, but groups of BSFs were frequently observed to initiate from those on the large steps, probably related to the increased strain associated with the locally higher indium content and thickness.« less

Basal-plane dislocations in bilayer graphene - Peculiarities in a quasi-2D material

NASA Astrophysics Data System (ADS)

Butz, Benjamin

2015-03-01

Dislocations represent one of the most fascinating and fundamental concepts in materials science. First and foremost, they are the main carriers of plastic deformation in crystalline materials. Furthermore, they can strongly alter the local electronic or optical properties of semiconductors and ionic crystals. In layered crystals like graphite dislocation movement is restricted to the basal plane. Thus, those basal-plane dislocations cannot escape enabling their confinement in between only two atomic layers of the material. So-called bilayer graphene is the thinnest imaginable quasi-2D crystal to explore the nature and behavior of dislocations under such extreme boundary conditions. Robust graphene membranes derived from epitaxial graphene on SiC provide an ideal platform for their investigation. The presentation will give an insight in the direct observation of basal-plane partial dislocations by transmission electron microscopy and their detailed investigation by diffraction contrast analysis and atomistic simulations. The investigation reveals striking size effects. First, the absence of stacking fault energy, a unique property of bilayer graphene, leads to a characteristic dislocation pattern, which corresponds to an alternating AB <--> BA change of the stacking order. Most importantly, our experiments in combination with atomistic simulations reveal a pronounced buckling of the bilayer graphene membrane, which directly results from accommodation of strain. In fact, the buckling completely changes the strain state of the bilayer graphene and is of key importance for its electronic/spin transport properties. Due to the high degree of disorder in our quasi-2D material it is one of the very few examples for a perfect linear magnetoresistance, i.e. the linear dependency of the in-plane electrical resistance on a magnetic field applied perpendicular to the graphene sheet up to field strengths of more than 60 T. This research is financed by the German Research Foundation through the SFB 953 ``Synthetic Carbon Allotropes.''

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.

Plasticity of the dense hydrous magnesium silicate phase A at subduction zones conditions

DOE PAGES

Gouriet, K.; Hilairet, N.; Amiguet, E.; ...

2015-09-12

The plasticity of the dense hydrous magnesium silicate (DHMS) phase A, a key hydrous mineral within cold subduction zones, was investigated by two complementary approaches: high-pressure deformation experiments and computational methods. The deformation experiments were carried out at 11 GPa, 400 and 580 °C, with in situ measurements of stress, strain and lattice preferred orientations (LPO). Based on viscoplastic self-consistent modeling (VPSC) of the observed LPO, the deformation mechanisms at 580 °C are consistent with glide on the (0 0 0 1) basal and prismatic planes. At 400 °C the deformation mechanisms involve glide on prismatic, (0 0 0 1)more » basal and pyramidal planes. Both give flow stresses of 2.5–3 GPa at strain rates of 2–4 × 10-5 s-1. We use the Peierls–Nabarro–Galerkin (PNG) approach, relying on first-principles calculations of generalized stacking fault (γ-surface), and model the core structure of potential dislocations in basal and prismatic planes. The computations show multiple dissociations of the and dislocations (⟨a⟩ and ⟨b⟩ dislocations) in the basal plane, which is compatible with the ubiquity of basal slip in the experiments. The γ-surface calculations also suggest and dislocations (⟨a+c⟩ or ⟨c-b⟩ directions) in prismatic and pyramidal planes, which is also consistent with the experimental data. Phase A has a higher flow strength than olivine. When forming at depths from the dehydration of weak and highly anisotropic hydrated ultramafic rocks, phase A may not maintain the mechanical softening antigorite can provide. The seismic properties calculated for moderately deformed aggregates suggest that S-wave seismic anisotropy of phase A-bearing rocks is lower than hydrous subduction zone lithologies such as serpentinites and blueschists.« less

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.

New horizon for high performance Mg-based biomaterial with uniform degradation behavior: Formation of stacking faults

PubMed Central

Zhang, Jinghuai; Xu, Chi; Jing, Yongbin; Lv, Shuhui; Liu, Shujuan; Fang, Daqing; Zhuang, Jinpeng; Zhang, Milin; Wu, Ruizhi

2015-01-01

Designing the new microstructure is an effective way to accelerate the biomedical application of magnesium (Mg) alloys. In this study, a novel Mg–8Er–1Zn alloy with profuse nano-spaced basal plane stacking faults (SFs) was prepared by combined processes of direct-chill semi-continuous casting, heat-treatment and hot-extrusion. The formation of SFs made the alloy possess outstanding comprehensive performance as the biodegradable implant material. The ultimate tensile strength (UTS: 318 MPa), tensile yield strength (TYS: 207 MPa) and elongation (21%) of the alloy with SFs were superior to those of most reported degradable Mg-based alloys. This new alloy showed acceptable biotoxicity and degradation rate (0.34 mm/year), and the latter could be further slowed down through optimizing the microstructure. Most amazing of all, the uniquely uniform in vitro/vivo corrosion behavior was obtained due to the formation of SFs. Accordingly we proposed an original corrosion mechanism for the novel Mg alloy with SFs. The present study opens a new horizon for developing new Mg-based biomaterials with highly desirable performances. PMID:26349676

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.

Microstructure and Optical Properties of Nonpolar m-Plane GaN Films Grown on m-Plane Sapphire by Hydride Vapor Phase Epitaxy

NASA Astrophysics Data System (ADS)

Wei, Tongbo; Duan, Ruifei; Wang, Junxi; Li, Jinmin; Huo, Ziqiang; Yang, Jiankun; Zeng, Yiping

2008-05-01

Thick nonpolar (1010) GaN layers were grown on m-plane sapphire substrates by hydride vapor phase epitaxy (HVPE) using magnetron sputtered ZnO buffers, while semipolar (1013) GaN layers were obtained by the conventional two-step growth method using the same substrate. The in-plane anisotropic structural characteristics and stress distribution of the epilayers were revealed by high resolution X-ray diffraction and polarized Raman scattering measurements. Atomic force microscopy (AFM) images revealed that the striated surface morphologies correlated with the basal plane stacking faults for both (1010) and (1013) GaN films. The m-plane GaN surface showed many triangular-shaped pits aligning uniformly with the tips pointing to the c-axis after etching in boiled KOH, whereas the oblique hillocks appeared on the semipolar epilayers. In addition, the dominant emission at 3.42 eV in m-plane GaN films displayed a red shift with respect to that in semipolar epilayers, maybe owing to the different strain states present in the two epitaxial layers.

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

Thick nonpolar m-plane and semipolar (10 1 ̅ 1 ̅) GaN on an ammonothermal seed by tri-halide vapor-phase epitaxy using GaCl3

NASA Astrophysics Data System (ADS)

Iso, Kenji; Matsuda, Karen; Takekawa, Nao; Hikida, Kazuhiro; Hayashida, Naoto; Murakami, Hisashi; Koukitu, Akinori

2017-03-01

GaN layers of thickness 0.5-1.3 mm were grown at 1280 °C at a growth rate of 95-275 μm/h by tri-halide vapor-phase epitaxy on nonpolar m-plane (10 1 ̅ 0) and semipolar (10 1 ̅ 1 ̅) ammonothermal GaN substrates. For nonpolar m-plane (10 1 ̅ 0) with a -5° off-angle, the full widths at half maximum (FWHMs) of X-ray rocking curves (XRCs) and the basal plane stacking fault (BSF) density increased from 50 to 178″ and from 4.8×101 to 1.0×103 cm-1, respectively, upon increasing the growth rate from 115 to 245 μm/h. On the other hand, the XRC-FWHM and the BSF density for semipolar (10 1 ̅ 1 ̅) grown at 275 μm/h were as small as 28″ and 8.3×101 cm-1, respectively.

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

Use of hydrogen etching to remove existing dislocations in GaN epitaxial layers

NASA Astrophysics Data System (ADS)

Yeh, Yen-Hsien; Chu, Chung-Ming; Wu, Yin-Hao; Hsu, Ying-Chia; Yu, Tzu-Yi; Lee, Wei-I.

2015-08-01

In this paper, based on the anisotropic nature of hydrogen (H2) etching on GaN, we describe a new approach to the removal of threading dislocations in GaN layers. The top surfaces of c-plane (Ga-face) and a-plane GaNs are considered stable in H2; therefore, H2 etches only crystal imperfections such as dislocation and basal plane stacking fault (BSF) sites. We used H2 to etch undoped c-plane GaN, n-type c-plane GaN, a-plane GaN, and an InGaN/GaN multiple quantum well structure. Several examinations were performed, indicating deep cavities on the c-plane GaN samples after H2 etching; furthermore, gorge-like grooves were observed on the a-plane GaN samples. The deep cavities on the c-plane GaN were considered the etched dislocation sites, and the gorge-like grooves on the a-plane GaN were considered the etched BSF sites. Photoluminescence measurements were performed and the results indicated that the H2-etched samples demonstrate superior optoelectronic properties, probably because of the elimination of dislocations.

Efficient reduction of defects in (1120) non-polar and (1122) semi-polar GaN grown on nanorod templates

NASA Astrophysics Data System (ADS)

Bai, J.; Gong, Y.; Xing, K.; Yu, X.; Wang, T.

2013-03-01

(1120) non-polar and (1122) semi-polar GaNs with a low defect density have been achieved by means of an overgrowth on nanorod templates, where a quick coalescence with a thickness even below 1 μm occurs. On-axis and off-axis X-ray rocking curve measurements have shown a massive reduction in the linewidth for our overgrown GaN in comparison with standard GaN films grown on sapphire substrates. Transmission electron microscope observation demonstrates that the overgrowth on the nanorod templates takes advantage of an omni-directional growth around the sidewalls of the nanostructures. The dislocations redirect in basal planes during the overgrowth, leading to their annihilation and termination at voids formed due to a large lateral growth rate. In the non-polar GaN, the priority <0001> lateral growth from vertical sidewalls of nanorods allows basal plane stacking faults (BSFs) to be blocked in the nanorod gaps; while for semi-polar GaN, the propagation of BSFs starts to be impeded when the growth front is changed to be along inclined <0001> direction above the nanorods.

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.

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.

Solution softening in magnesium alloys: the effect of solid solutions on the dislocation core structure and nonbasal slip.

PubMed

Tsuru, T; Udagawa, Y; Yamaguchi, M; Itakura, M; Kaburaki, H; Kaji, Y

2013-01-16

There is a pressing need to improve the ductility of magnesium alloys so that they can be applied as lightweight structural materials. In this study, a mechanism for enhancing the ductility of magnesium alloys has been pursued using the atomistic method. The generalized stacking fault (GSF) energies for basal and prismatic planes in magnesium were calculated by using density functional theory, and the effect of the GSF energy on the dislocation core structures was examined using a semidiscrete variational Peierls-Nabarro model. Yttrium was found to have an anomalous influence on the solution softening owing to a reduction in the GSF energy gradient.

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

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).

Structural anisotropic properties of a-plane GaN epilayers grown on r-plane sapphire by molecular beam epitaxy

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

Lotsari, A.; Kehagias, Th.; Katsikini, M.

2014-06-07

Heteroepitaxial non-polar III-Nitride layers may exhibit extensive anisotropy in the surface morphology and the epilayer microstructure along distinct in-plane directions. The structural anisotropy, evidenced by the “M”-shape dependence of the (112{sup ¯}0) x-ray rocking curve widths on the beam azimuth angle, was studied by combining transmission electron microscopy observations, Raman spectroscopy, high resolution x-ray diffraction, and atomic force microscopy in a-plane GaN epilayers grown on r-plane sapphire substrates by plasma-assisted molecular beam epitaxy (PAMBE). The structural anisotropic behavior was attributed quantitatively to the high dislocation densities, particularly the Frank-Shockley partial dislocations that delimit the I{sub 1} intrinsic basal stacking faults,more » and to the concomitant plastic strain relaxation. On the other hand, isotropic samples exhibited lower dislocation densities and a biaxial residual stress state. For PAMBE growth, the anisotropy was correlated to N-rich (or Ga-poor) conditions on the surface during growth, that result in formation of asymmetric a-plane GaN grains elongated along the c-axis. Such conditions enhance the anisotropy of gallium diffusion on the surface and reduce the GaN nucleation rate.« less

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.

Size effects of nano-spaced basal stacking faults on the strength and deformation mechanisms of nanocrystalline pure hcp metals

NASA Astrophysics Data System (ADS)

Wang, Wen; Jiang, Ping; Yuan, Fuping; Wu, Xiaolei

2018-05-01

The size effects of nano-spaced basal stacking faults (SFs) on the tensile strength and deformation mechanisms of nanocrystalline pure cobalt and magnesium have been investigated by a series of large-scale 2D columnar and 3D molecular dynamics simulations. Unlike the strengthening effect of basal SFs on Mg alloys, the nano-spaced basal SFs are observed to have no strengthening effect on the nanocrystalline pure cobalt and magnesium from MD simulations. These observations could be attributed to the following two reasons: (i) Lots of new basal SFs are formed before (for cobalt) or simultaneously with (for magnesium) the other deformation mechanisms (i.e. the formation of twins and the < c + a > edge dislocations) during the tensile deformation; (ii) In hcp alloys, the segregation of alloy elements and impurities at typical interfaces, such as SFs, can stablilise them for enhancing the interactions with dislocation and thus elevating the strength. Without such segregation in pure hcp metals, the < c + a > edge dislocations can cut through the basal SFs although the interactions between the < c + a > dislocations and the pre-existing SFs/newly formed SFs are observed. The nano-spaced basal SFs are also found to have no restriction effect on the formation of deformation twins.

Efficient reduction of defects in (1120) non-polar and (1122) semi-polar GaN grown on nanorod templates

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

Bai, J.; Gong, Y.; Xing, K.

2013-03-11

(1120) non-polar and (1122) semi-polar GaNs with a low defect density have been achieved by means of an overgrowth on nanorod templates, where a quick coalescence with a thickness even below 1 {mu}m occurs. On-axis and off-axis X-ray rocking curve measurements have shown a massive reduction in the linewidth for our overgrown GaN in comparison with standard GaN films grown on sapphire substrates. Transmission electron microscope observation demonstrates that the overgrowth on the nanorod templates takes advantage of an omni-directional growth around the sidewalls of the nanostructures. The dislocations redirect in basal planes during the overgrowth, leading to their annihilationmore » and termination at voids formed due to a large lateral growth rate. In the non-polar GaN, the priority <0001> lateral growth from vertical sidewalls of nanorods allows basal plane stacking faults (BSFs) to be blocked in the nanorod gaps; while for semi-polar GaN, the propagation of BSFs starts to be impeded when the growth front is changed to be along inclined <0001> direction above the nanorods.« less

Effect of gamma-ray irradiation on the device process-induced defects in 4H-SiC epilayers

NASA Astrophysics Data System (ADS)

Miyazaki, T.; Makino, T.; Takeyama, A.; Onoda, S.; Ohshima, T.; Tanaka, Y.; Kandori, M.; Yoshie, T.; Hijikata, Y.

2016-11-01

We investigated the gamma-ray irradiation effect on 4H-SiC device process-induced defects by photoluminescence (PL) imaging and deep level transient spectroscopy (DLTS). We found that basal plane dislocations (BPDs) that were present before the irradiation were eliminated by gamma-ray irradiation of 1 MGy. The reduction mechanism of BPD was discussed in terms of BPD-threading edge dislocation (TED) transformation and shrinkage of stacking faults. In addition, the entire PL image was gradually darkened with increasing absorbed dose, which is presumably due to the point defects generated by gamma-ray irradiation. We obtained DLTS peaks that could be assigned to complex defects, termed RD series, and found that the peaks increased with absorbed dose.

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

Calabrese, Gabriele, E-mail: calabrese@pdi-berlin.de; Corfdir, Pierre; Gao, Guanhui

We demonstrate the self-assembled growth of vertically aligned GaN nanowire ensembles on a flexible Ti foil by plasma-assisted molecular beam epitaxy. The analysis of single nanowires by transmission electron microscopy reveals that they are single crystalline. Low-temperature photoluminescence spectroscopy demonstrates that in comparison to standard GaN nanowires grown on Si, the nanowires prepared on the Ti foil exhibit an equivalent crystalline perfection, a higher density of basal-plane stacking faults, but a reduced density of inversion domain boundaries. The room-temperature photoluminescence spectrum of the nanowire ensemble is not influenced or degraded by the bending of the substrate. The present results pavemore » the way for the fabrication of flexible optoelectronic devices based on GaN nanowires on metal foils.« less

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.

Characterization of Strain Due to Nitrogen Doping Concentration Variations in Heavy Doped 4H-SiC

NASA Astrophysics Data System (ADS)

Yang, Yu; Guo, Jianqiu; Raghothamachar, Balaji; Chan, Xiaojun; Kim, Taejin; Dudley, Michael

2018-02-01

Highly doped 4H-SiC will show a significant lattice parameter difference with respect to the undoped material. We have applied the recently developed monochromatic contour mapping technique for 4H-SiC crystals to a 4H-SiC wafer crystal characterized by nitrogen doping concentration variation across the whole sample surface using a synchrotron monochromatic x-ray beam. Strain maps of 0008 and - 2203 planes were derived by deconvoluting the lattice parameter variations from the lattice tilt. Analysis reveals markedly different strain values within and out of the basal plane indicating the strain induced by nitrogen doping is anisotropic in the 4H-SiC hexagonal crystal structure. The highest strain calculated along growth direction [0001] and along [1-100] on the closed packed basal plane is up to - 4 × 10-4 and - 2.7 × 10-3, respectively. Using an anisotropic elasticity model by separating the whole bulk crystal into numerous identical rectangular prism units, the measured strain was related to the doping concentration and the calculated highest nitrogen level inside wafer crystal was determined to be 1.5 × 1020 cm-3. This is in agreement with observation of double Shockley stacking faults in the highly doped region that are predicted to nucleate at nitrogen levels above 2 × 1019 cm-3.

Defect reduction of SiNx embedded m-plane GaN grown by hydride vapor phase epitaxy

NASA Astrophysics Data System (ADS)

Woo, Seohwi; Kim, Minho; So, Byeongchan; Yoo, Geunho; Jang, Jongjin; Lee, Kyuseung; Nam, Okhyun

2014-12-01

Nonpolar (1 0 -1 0) m-plane GaN has been grown on m-plane sapphire substrates by hydride vapor phase epitaxy (HVPE). We studied the defect reduction of m-GaN with embedded SiNx interlayers deposited by ex-situ metal organic chemical vapor deposition (MOCVD). The full-width at half-maximum values of the X-ray rocking curves for m-GaN with embedded SiNx along [1 1 -2 0]GaN and [0 0 0 1]GaN were reduced to 528 and 1427 arcs, respectively, as compared with the respective values of 947 and 3170 arcs, of m-GaN without SiNx. Cross-section transmission electron microscopy revealed that the basal stacking fault density was decreased by approximately one order to 5×104 cm-1 due to the defect blocking of the embedded SiNx. As a result, the near band edge emission intensities of the room-temperature and low-temperature photoluminescence showed approximately two-fold and four-fold improvement, respectively.

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.

Temperature-dependent stability of stacking faults in Al, Cu and Ni: first-principles analysis.

PubMed

Bhogra, Meha; Ramamurty, U; Waghmare, Umesh V

2014-09-24

We present comparative analysis of microscopic mechanisms relevant to plastic deformation of the face-centered cubic (FCC) metals Al, Cu, and Ni, through determination of the temperature-dependent free energies of intrinsic and unstable stacking faults along [1 1̄ 0] and [1 2̄ 1] on the (1 1 1) plane using first-principles density-functional-theory-based calculations. We show that vibrational contribution results in significant decrease in the free energy of barriers and intrinsic stacking faults (ISFs) of Al, Cu, and Ni with temperature, confirming an important role of thermal fluctuations in the stability of stacking faults (SFs) and deformation at elevated temperatures. In contrast to Al and Ni, the vibrational spectrum of the unstable stacking fault (USF[1 2̄ 1]) in Cu reveals structural instabilities, indicating that the energy barrier (γusf) along the (1 1 1)[1 2̄ 1] slip system in Cu, determined by typical first-principles calculations, is an overestimate, and its commonly used interpretation as the energy release rate needed for dislocation nucleation, as proposed by Rice (1992 J. Mech. Phys. Solids 40 239), should be taken with caution.

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

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.

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.

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.

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.

Dislocations in bilayer graphene

NASA Astrophysics Data System (ADS)

Butz, Benjamin; Dolle, Christian; Niekiel, Florian; Weber, Konstantin; Waldmann, Daniel; Weber, Heiko B.; Meyer, Bernd; Spiecker, Erdmann

2014-01-01

Dislocations represent one of the most fascinating and fundamental concepts in materials science. Most importantly, dislocations are the main carriers of plastic deformation in crystalline materials. Furthermore, they can strongly affect the local electronic and optical properties of semiconductors and ionic crystals. In materials with small dimensions, they experience extensive image forces, which attract them to the surface to release strain energy. However, in layered crystals such as graphite, dislocation movement is mainly restricted to the basal plane. Thus, the dislocations cannot escape, enabling their confinement in crystals as thin as only two monolayers. To explore the nature of dislocations under such extreme boundary conditions, the material of choice is bilayer graphene, the thinnest possible quasi-two-dimensional crystal in which such linear defects can be confined. Homogeneous and robust graphene membranes derived from high-quality epitaxial graphene on silicon carbide provide an ideal platform for their investigation. Here we report the direct observation of basal-plane dislocations in freestanding bilayer graphene using transmission electron microscopy and their detailed investigation by diffraction contrast analysis and atomistic simulations. Our investigation reveals two striking size effects. First, the absence of stacking-fault energy, a unique property of bilayer graphene, leads to a characteristic dislocation pattern that corresponds to an alternating ABAC change of the stacking order. Second, our experiments in combination with atomistic simulations reveal a pronounced buckling of the bilayer graphene membrane that results directly from accommodation of strain. In fact, the buckling changes the strain state of the bilayer graphene and is of key importance for its electronic properties. Our findings will contribute to the understanding of dislocations and of their role in the structural, mechanical and electronic properties of bilayer and few-layer graphene.

Dislocations in bilayer graphene.

PubMed

Butz, Benjamin; Dolle, Christian; Niekiel, Florian; Weber, Konstantin; Waldmann, Daniel; Weber, Heiko B; Meyer, Bernd; Spiecker, Erdmann

2014-01-23

Dislocations represent one of the most fascinating and fundamental concepts in materials science. Most importantly, dislocations are the main carriers of plastic deformation in crystalline materials. Furthermore, they can strongly affect the local electronic and optical properties of semiconductors and ionic crystals. In materials with small dimensions, they experience extensive image forces, which attract them to the surface to release strain energy. However, in layered crystals such as graphite, dislocation movement is mainly restricted to the basal plane. Thus, the dislocations cannot escape, enabling their confinement in crystals as thin as only two monolayers. To explore the nature of dislocations under such extreme boundary conditions, the material of choice is bilayer graphene, the thinnest possible quasi-two-dimensional crystal in which such linear defects can be confined. Homogeneous and robust graphene membranes derived from high-quality epitaxial graphene on silicon carbide provide an ideal platform for their investigation. Here we report the direct observation of basal-plane dislocations in freestanding bilayer graphene using transmission electron microscopy and their detailed investigation by diffraction contrast analysis and atomistic simulations. Our investigation reveals two striking size effects. First, the absence of stacking-fault energy, a unique property of bilayer graphene, leads to a characteristic dislocation pattern that corresponds to an alternating AB B[Symbol: see text]AC change of the stacking order. Second, our experiments in combination with atomistic simulations reveal a pronounced buckling of the bilayer graphene membrane that results directly from accommodation of strain. In fact, the buckling changes the strain state of the bilayer graphene and is of key importance for its electronic properties. Our findings will contribute to the understanding of dislocations and of their role in the structural, mechanical and electronic properties of bilayer and few-layer graphene.

Self-assembled Multilayers of Silica Nanospheres for Defect Reduction in Non- and Semipolar Gallium Nitride Epitaxial Layers

PubMed Central

2015-01-01

Non- and semipolar GaN have great potential to improve the efficiency of light emitting devices due to much reduced internal electric fields. However, heteroepitaxial GaN growth in these crystal orientations suffers from very high dislocation and stacking faults densities. Here, we report a facile method to obtain low defect density non- and semipolar heteroepitaxial GaN via selective area epitaxy using self-assembled multilayers of silica nanospheres (MSN). Nonpolar (11–20) and semipolar (11–22) GaN layers with high crystal quality have been achieved by epitaxial integration of the MSN and a simple one-step overgrowth process, by which both dislocation and basal plane stacking fault densities can be significantly reduced. The underlying defect reduction mechanisms include epitaxial growth through the MSN covered template, island nucleation via nanogaps in the MSN, and lateral overgrowth and coalescence above the MSN. InGaN/GaN multiple quantum wells structures grown on a nonpolar GaN/MSN template show more than 30-fold increase in the luminescence intensity compared to a control sample without the MSN. This self-assembled MSN technique provides a new platform for epitaxial growth of nitride semiconductors and offers unique opportunities for improving the material quality of GaN grown on other orientations and foreign substrates or heteroepitaxial growth of other lattice-mismatched materials. PMID:27065755

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.

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.

Rhombohedral cubic semiconductor materials on trigonal substrate with single crystal properties and devices based on such materials

NASA Technical Reports Server (NTRS)

Park, Yeonjoon (Inventor); Choi, Sang Hyouk (Inventor); King, Glen C. (Inventor); Elliott, James R. (Inventor)

2012-01-01

Growth conditions are developed, based on a temperature-dependent alignment model, to enable formation of cubic group IV, group II-V and group II-VI crystals in the [111] orientation on the basal (0001) plane of trigonal crystal substrates, controlled such that the volume percentage of primary twin crystal is reduced from about 40% to about 0.3%, compared to the majority single crystal. The control of stacking faults in this and other embodiments can yield single crystalline semiconductors based on these materials that are substantially without defects, or improved thermoelectric materials with twinned crystals for phonon scattering while maintaining electrical integrity. These methods can selectively yield a cubic-on-trigonal epitaxial semiconductor material in which the cubic layer is substantially either directly aligned, or 60 degrees-rotated from, the underlying trigonal material.

Effect of growth pressure on the morphology evolution and doping characteristics in nonpolar a-plane GaN

NASA Astrophysics Data System (ADS)

Song, Keun Man; Kim, Jong Min; Kang, Bong Kyun; Shin, Chan Soo; Ko, Chul Gi; Kong, Bo Hyun; Cho, Hyung Koun; Yoon, Dae Ho; Kim, Hogyoung; Hwang, Sung Min

2012-02-01

Nonpolar a-plane GaN layers grown on r-plane sapphire substrates were examined by using a two-step growth process. The higher initial growth pressure for the nucleation layer resulted in the improved crystalline quality with lower density of both threading dislocations and basal stacking faults. This was attributed to the higher degree of initial roughening and recovery time via a growth mode transition from three-dimensional (3D) to quasi two-dimensional (2D) lateral growth. Using Hall-effect measurements, the overgrown Si doped GaN layers grown with higher initial growth pressure were found to have higher mobility. The scattering mechanism due to the dislocations was dominant especially at low temperature (<200 K) for the lower initial growth pressure, which was insignificant for the higher initial growth pressure. The temperature-dependent Hall-effect measurements for the Mg doped GaN with a higher initial growth pressure yielded the activation energy and the acceptor concentration to be 128 meV and 1.2 × 1019 cm-3, respectively, corresponding to about 3.6% of activation at room temperature. Two-step growth scheme with a higher initial growth pressure is suggested as a potential method to improve the performance of nonpolar a-plane GaN based devices.

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.

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.

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.

Modeling fluid flow and heat transfer at Basin and Range faults: preliminary results for Leach hot springs, Nevada

USGS Publications Warehouse

López, Dina L.; Smith, Leslie; Storey, Michael L.; Nielson, Dennis L.

1994-01-01

The hydrothermal systems of the Basin and Range Province are often located at or near major range bounding normal faults. The flow of fluid and energy at these faults is affected by the advective transfer of heat and fluid from an to the adjacent mountain ranges and valleys, This paper addresses the effect of the exchange of fluid and energy between the country rock, the valley fill sediments, and the fault zone, on the fluid and heat flow regimes at the fault plane. For comparative purposes, the conditions simulated are patterned on Leach Hot Springs in southern Grass Valley, Nevada. Our simulations indicated that convection can exist at the fault plane even when the fault is exchanging significant heat and fluid with the surrounding country rock and valley fill sediments. The temperature at the base of the fault decreased with increasing permeability of the country rock. Higher groundwater discharge from the fault and lower temperatures at the base of the fault are favored by high country rock permabilities and fault transmissivities. Preliminary results suggest that basal temperatures and flow rates for Leach Hot Springs can not be simulated with a fault 3 km deep and an average regional heat flow of 150 mW/m2 because the basal temperature and mass discharge rates are too low. A fault permeable to greater depths or a higher regional heat flow may be indicated for these springs.

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.

Effect of low NH3 flux towards high quality semi-polar (11-22) GaN on m-plane sapphire via MOCVD

NASA Astrophysics Data System (ADS)

Omar, Al-Zuhairi; Shuhaimi Bin Abu Bakar, Ahmad; Makinudin, Abdullah Haaziq Ahmad; Khudus, Muhammad Imran Mustafa Abdul; Azman, Adreen; Kamarundzaman, Anas; Supangat, Azzuliani

2018-05-01

The effect of ammonia flux towards the quality of the semi-polar (11-22) gallium nitride thin film on m-plane (10-10) sapphire is presented. Semi-polar (11-22) gallium nitride epi-layers were obtained using a two-step growth method, consisting of high temperature aluminum nitride followed by gallium nitride via metal organic chemical vapor deposition. The surface morphology analysis via field emission scanning electron microscopy and atomic force microscopy of the semi-polar (11-22) gallium nitride has shown that low ammonia flux promotes two-dimensional growth with low surface roughness of 4.08 nm. A dominant diffraction peak of (11-22) gallium nitride was also observed via X-ray diffraction upon utilizing low ammonia flux. The on- and off-axis X-ray rocking curve measurements illustrate the enhancement of the crystal quality, which might result from the reduction of the basal stacking faults and perfect dislocation. The full width half maximum values were reduced by at least 15% for both on- and off-axis measurements.

Dislocation Structure and Mobility in hcp He 4

DOE PAGES

Landinez Borda, Edgar Josue; Cai, Wei; de Koning, Maurice

2016-07-20

We assess the core structure and mobility of the screw and edge basal-plane dislocations in hcp 4He using path-integral Monte Carlo simulations. Our findings provide key insights into recent interpretations of giant plasticity and mass flow junction experiments. First, both dislocations are dissociated into nonsuperfluid Shockley partial dislocations separated by ribbons of stacking fault, suggesting that they are unlikely to act as one-dimensional channels that may display Lüttinger-liquid-like behavior. Second, the centroid positions of the partial cores are found to fluctuate substantially, even in the absence of applied shear stresses. This implies that the lattice resistance to motion of themore » partial dislocations is negligible, consistent with the recent experimental observations of giant plasticity. Our results indicate that both the structure of the partial cores and the zero-point fluctuations play a role in this extreme mobility.« 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.

Structural anisotropy of nonpolar and semipolar InN epitaxial layers

NASA Astrophysics Data System (ADS)

Darakchieva, V.; Xie, M.-Y.; Franco, N.; Giuliani, F.; Nunes, B.; Alves, E.; Hsiao, C. L.; Chen, L. C.; Yamaguchi, T.; Takagi, Y.; Kawashima, K.; Nanishi, Y.

2010-10-01

We present a detailed study of the structural characteristics of molecular beam epitaxy grown nonpolar InN films with a- and m-plane surface orientations on r-plane sapphire and (100) γ-LiAlO2, respectively, and semipolar (101¯1) InN grown on r-plane sapphire. The on-axis rocking curve (RC) widths were found to exhibit anisotropic dependence on the azimuth angle with minima at InN [0001] for the a-plane films, and maxima at InN [0001] for the m-plane and semipolar films. The different contributions to the RC broadening are analyzed and discussed. The finite size of the crystallites and extended defects are suggested to be the dominant factors determining the RC anisotropy in a-plane InN, while surface roughness and curvature could not play a major role. Furthermore, strategy to reduce the anisotropy and magnitude of the tilt and minimize defect densities in a-plane InN films is suggested. In contrast to the nonpolar films, the semipolar InN was found to contain two domains nucleating on zinc-blende InN(111)A and InN(111)B faces. These two wurtzite domains develop with different growth rates, which was suggested to be a consequence of their different polarity. Both, a- and m-plane InN films have basal stacking fault densities similar or even lower compared to nonpolar InN grown on free-standing GaN substrates, indicating good prospects of heteroepitaxy on foreign substrates for the growth of InN-based devices.

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.

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 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.

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.

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

Epitaxial growth of Ti{sub 3}SiC{sub 2} thin films with basal planes parallel or orthogonal to the surface on {alpha}-SiC

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

Drevin-Bazin, A.; Barbot, J. F.; Alkazaz, M.

2012-07-09

The growth of Ti{sub 3}SiC{sub 2} thin films were studied onto {alpha}-SiC substrates differently oriented by thermal annealing of TiAl layers deposited by magnetron sputtering. For any substrate's orientation, transmission electron microscopy coupled with x-ray diffraction showed the coherent epitaxial growth of Ti{sub 3}SiC{sub 2} films along basal planes of SiC. Specifically for the (1120) 4H-SiC, Ti{sub 3}SiC{sub 2} basal planes are found to be orthogonal to the surface. The continuous or textured nature of Ti{sub 3}SiC{sub 2} films does not depend of the SiC stacking sequence and is explained by a step-flow mechanism of growth mode. The ohmic charactermore » of the contact was confirmed by current-voltage measurements.« less

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.

Study of defect structures in 6H-SiC a/m-plane pseudofiber crystals grown by hot-wall CVD epitaxy

DOE PAGES

Goue, Ouloide Y.; Raghothamachar, Balaji; Yang, Yu; ...

2015-11-25

Structural perfection of silicon carbide (SiC) single crystals is essential to achieve high-performance power devices. A new bulk growth process for SiC proposed by researchers at NASA Glenn Research Center, called large tapered crystal (LTC) growth, based on axial fiber growth followed by lateral expansion, could produce SiC boules with potentially as few as one threading screw dislocation per wafer. In this study, the lateral expansion aspect of LTC growth is addressed through analysis of lateral growth of 6H-SiC a/m-plane seed crystals by hot-wall chemical vapor deposition. Preliminary synchrotron white-beam x-ray topography (SWBXT) indicates that the as-grown boules match themore » polytype structure of the underlying seed and have a faceted hexagonal morphology with a strain-free surface marked by steps. SWBXT Laue diffraction patterns of transverse and axial slices of the boules reveal streaks suggesting the existence of stacking faults/polytypes, and this is confirmed by micro-Raman spectroscopy. Transmission x-ray topography of both transverse and axial slices reveals inhomogeneous strains at the seed–epilayer interface and linear features propagating from the seed along the growth direction. Micro-Raman mapping of an axial slice reveals that the seed contains high stacking disorder, while contrast extinction analysis (g·b and g·b×l) of the linear features reveals that these are mostly edge-type basal plane dislocations. Further high-resolution transmission electron microscopy investigation of the seed–homoepilayer interface also reveals nanobands of different SiC polytypes. A model for their formation mechanism is proposed. Lastly, the implication of these results for improving the LTC growth process is addressed.« less

Tuning thermal conductivity in molybdenum disulfide by electrochemical intercalation

PubMed Central

Zhu, Gaohua; Liu, Jun; Zheng, Qiye; Zhang, Ruigang; Li, Dongyao; Banerjee, Debasish; Cahill, David G.

2016-01-01

Thermal conductivity of two-dimensional (2D) materials is of interest for energy storage, nanoelectronics and optoelectronics. Here, we report that the thermal conductivity of molybdenum disulfide can be modified by electrochemical intercalation. We observe distinct behaviour for thin films with vertically aligned basal planes and natural bulk crystals with basal planes aligned parallel to the surface. The thermal conductivity is measured as a function of the degree of lithiation, using time-domain thermoreflectance. The change of thermal conductivity correlates with the lithiation-induced structural and compositional disorder. We further show that the ratio of the in-plane to through-plane thermal conductivity of bulk crystal is enhanced by the disorder. These results suggest that stacking disorder and mixture of phases is an effective mechanism to modify the anisotropic thermal conductivity of 2D materials. PMID:27767030

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.

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.

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.

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.

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.

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.

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

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.

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

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

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

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

New polytypes of LPSO structures in an Mg-Co-Y alloy

NASA Astrophysics Data System (ADS)

Jin, Q. Q.; Shao, X. H.; Hu, X. B.; Peng, Z. Z.; Ma, X. L.

2017-01-01

The magnesium alloys containing long-period stacking ordered (LPSO) structures exhibit excellent mechanical properties. Each LPSO structure is known to contain either AB‧C‧A or AB‧C building block and feature its own stacking sequences. By atomic-scale high-angle annular dark field scanning transmission electron microscopy, we find the co-existence of AB‧C‧A and AB‧C building block in a single LPSO structure of the as-cast Mg92Co2Y6 (at.%) alloy, leading to the formation of six new polytypes of the LPSO structures determined as 29H, 51R, 60H, 72R, 102R and 192R. The lattice parameter of each LPSO structure is derived as ? and ? (n presents the number of basal layers in a unit cell). The stacking sequences and the space groups of these newly identified LPSO structures are proposed based on the electron diffraction and atomic-scale aberration-corrected high-resolution images. A random distribution of Co/Y elements in the basal planes of AB‧C‧A and AB‧C structural units is also observed and discussed.

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.

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.

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.

Enhancement of optical and structural quality of semipolar (11-22) GaN by introducing nanoporous SiNx interlayers

NASA Astrophysics Data System (ADS)

Monavarian, Morteza; Metzner, Sebastian; Izyumskaya, Natalia; Müller, Marcus; Okur, Serdal; Zhang, Fan; Can, Nuri; Das, Saikat; Avrutin, Vitaliy; Özgür, Ümit; Bertram, Frank; Christen, Juergen; Morkoç, Hadis

2015-03-01

Enhancement of optical and structural quality of semipolar (11‾22) GaN grown by metal-organic chemical vapor deposition on planar m-sapphire substrates was achieved by using an in-situ epitaxial lateral overgrowth (ELO) technique with nanoporous SiNx layers employed as masks. In order to optimize the procedure, the effect of SiNx deposition time was studied by steady-state photoluminescence (PL), and X-ray diffraction. The intensity of room temperature PL for the (11‾22) GaN layers grown under optimized conditions was about three times higher compared to those for the reference samples having the same thickness but no SiNx interlayers. This finding is attributed to the blockage of extended defect propagation toward the surface by the SiNx interlayers as evidenced from the suppression of emissions associated with basal-plane and prismatic stacking faults with regard to the intensity of donor bound excitons (D0X) in lowtemperature PL spectra. In agreement with the optical data, full width at half maximum values of (11‾22) X-ray rocking curves measured for two different in-plane rotational orientations of [1‾100] and [11‾23] reduced from 0.33º and 0.26º for the reference samples to 0.2º and 0.16º for the nano-ELO structures grown under optimized conditions, respectively.

The Microseismicity of Glacier Sliding

NASA Astrophysics Data System (ADS)

Walter, Fabian; Röösli, Claudia; Kissling, Edi

2017-04-01

Our understanding of glacier and ice sheet basal motion remains incomplete. The past decades have witnessed a shift away from initially proposed hard bed theories towards soft, till-laden beds, which deform and thus participate in basal motion. The theoretical treatment of deformable beds is subject to debate, yet our capability to predict ice sheet flow and ultimately sea level rise is contingent upon correct parameterization of basal motion (Ritz et al., 2015). Both hard and soft bed theories neglect frictional sliding across distinct basal fault planes and elastic deformation in response to sudden dislocation. Over recent years, this view has been repeatedly challenged as more and more studies report seismogenic faulting associated with basal sliding. For instance, large parts of the Whillans Ice Stream at Antarctica's Siple Coast move nearly exclusively during sudden sliding episodes (Wiens et al., 2008). This "stick-slip motion" is difficult to explain with traditional glacier sliding theories but more analogous to earthquake dislocation on tectonic faults. Although the Whillans Ice Stream motion may be an extreme example, there exists evidence for much smaller microseismic stick-slip events beneath the Greenland Ice Sheet and non-polar glaciers (Podolskiy and Walter, 2016). This raises the question how relevant and widespread the stick-slip phenomenon is and if it is necessary to include it into ice sheet models. Here we discuss recent seismic deployments, which focused on detection of stick-slip events beneath the Greenland Ice Sheet and European Alpine Glaciers. For all deployments, a considerable challenge lies in detection of stick-slip seismograms in the presence of a dominant background seismicity associated with surface crevassing. Nevertheless, automatic search algorithms and waveform characteristics provide important insights into temporal variation of stick-slip activity as well as information about fault plane geometry and co-seismic sliding direction. REFERENCES E.A. Podolskiy and F. Walter (2016). Cryo-seismology. Reviews of Geophysics. Ritz, C., Edwards, T. L., Durand, G., Payne, A. J., Peyaud, V., & Hindmarsh, R. C. (2015). Potential sea-level rise from Antarctic ice-sheet instability constrained by observations. Nature, 528(7580), 115-118. Wiens, D. A., Anandakrishnan, S., Winberry, J. P., & King, M. A. (2008). Simultaneous teleseismic and geodetic observations of the stick-slip motion of an Antarctic ice stream. Nature, 453(7196), 770-774.

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.

Sediment Accretion During Horst and Graben Subduction associated with the Tohoku Oki M9 Earthquake, Northern Japan

NASA Astrophysics Data System (ADS)

Moore, J. C.; Chester, F. M.

2015-12-01

The stratigraphic sequence within the frontal accretionary prism of the Japan Trench, the site of large slip during the Tohoku earthquake, is unique due to horst and graben subduction. Boreholes at IODP Site C0019, penetrating the toe of the Tohoku accretionary prism, document a younger over older intraprism thrust contact with a 9 Ma age gap across the basal plate boundary fault. The anomalously young (Quaternary to Pliocene), fault-bounded sediment package is 130 m thick, of a total of 820 m of sediment above the plate boundary fault. In contrast, typical accretionary prism structure consists of stacked sediment packages on imbricate faults above the basal decollement resulting in an overall increase in age downward. Site C0019 penetrates the prism directly above a horst of the subducting Pacific oceanic crust. Here the plate-boundary fault consists of a thin, weak smectitic pelagic clay that is probably the principal slip surface of ~50 m offset in the 2011 Tohoku earthquake. The fault continues seaward deepening off the seaward edge of the horst and beneath the sediment fill of the adjacent graben, dying out at the landward base of the next incoming horst. The plate boundary fault and its splays in the graben form a narrow-taper protoprism and a small sedimentary basin of trench fill marking the seaward edge of the upper plate. The modern fault and sediment distributions within the graben are used to motivate a viable model for the presence of anomalously young sediments directly above the plate boundary fault. In this model sediments in the trench are thrust over the incoming horst by propagation of the plate boundary thrust up the landward-dipping fault of the incoming horst and along the smectitic clay layer to emplace Quaternary and Pliocene trench deposits directly on top of the incoming horst. These young deposits are in turn overlain by sediments 9 Ma or older that have been transported out of the graben along imbricate faults associated with the necessary increase in the taper of the prism above the graben. The Quaternary to Pliocene units thicken due to internal deformation accounting for the 130 m thickness now observed over the plate boundary fault at Site C0019. Conversely emplacement of very young sediment directly above a basal detachment would be unexpected in accretionary prisms subducting smoother oceanic crust.

Evolution of long-period stacking order (LPSO) in Mg97Zn1Gd2 cast alloys viewed by HAADF-STEM multi-scale electron tomography

NASA Astrophysics Data System (ADS)

Sato, Kazuhisa; Tashiro, Shunya; Matsunaga, Shuhei; Yamaguchi, Yohei; Kiguchi, Takanori; Konno, Toyohiko J.

2018-07-01

We have studied three-dimensional (3D) structures and growth processes of 14H-type long-period stacking order (LPSO) formed in Mg97Zn1Gd2 cast alloys by single tilt-axis electron tomography (ET) using high-angle annular dark-field scanning transmission electron microscopy. Evolution of the solute-enriched stacking faults (SFs) and the 14H LPSO by ageing were visualised in 3D with a high spatial resolution in multi-scale fields of views from a few nanometres to 10 μm. Lateral growth of the solute-enriched SFs and the LPSO in the (0 0 0 1)Mg plane is notable compared to the out-of-plane growth in the [0 0 0 1]Mg direction. The 14H LPSO grows at the cost of decomposition of the (Mg, Zn)3Gd-type precipitates, and accompany a change of in-plane edge angles from 30 to 60°. We have updated the Time-Temperature-Transformation diagram for precipitation in Mg97Zn1Gd2 alloys: starting temperatures of both solute-enriched SFs and LPSO formation shifted to a shorter time side than those in the previous diagram.

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.

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.

Criteria for Seismic Splay Fault Activation During Subduction Earthquakes

NASA Astrophysics Data System (ADS)

Dedontney, N.; Templeton, E.; Bhat, H.; Dmowska, R.; Rice, J. R.

2008-12-01

As sediment is added to the accretionary prism or removed from the forearc, the material overlying the plate interface must deform to maintain a wedge structure. One of the ways this internal deformation is achieved is by slip on splay faults branching from the main detachment, which are possibly activated as part of a major seismic event. As a rupture propagates updip along the plate interface, it will reach a series of junctions between the shallowly dipping detachment and more steeply dipping splay faults. The amount and distribution of slip on these splay faults and the detachment determines the seafloor deformation and the tsunami waveform. Numerical studies by Kame et al. [JGR, 2003] of fault branching during dynamic slip-weakening rupture in 2D plane strain showed that branch activation depends on the initial stress state, rupture velocity at the branching junction, and branch angle. They found that for a constant initial stress state, with the maximum principal stress at shallow angles to the main fault, branch activation is favored on the compressional side of the fault for a range of branch angles. By extending the part of their work on modeling the branching behavior in the context of subduction zones, where critical taper wedge concepts suggest the angle that the principal stress makes with the main fault is shallow, but not horizontal, we hope to better understand the conditions for splay fault activation and the criteria for significant moment release on the splay. Our aim is to determine the range of initial stresses and relative frictional strengths of the detachment and splay fault that would result in seismic splay fault activation. In aid of that, we conduct similar dynamic rupture analyses to those of Kame et al., but use explicit finite element methods, and take fuller account of overall structure of the zone (rather than focusing just on the branching junction). Critical taper theory requires that the basal fault be weaker than the overlying material, so we build on previous work by incorporating the effect of strength contrasts between the basal and splay faults. The relative weakness of the basal fault is often attributed to high pore pressures, which lowers the effective normal stress and brings the basal fault closer to failure. We vary the initial stress state, while maintaining a constant principal stress orientation, to see how the closeness to failure affects the branching behavior for a variety of branch step-up angles.

Consequences of the presence of a weak fault on the stress and strain within an active margin

NASA Astrophysics Data System (ADS)

Conin, M.; Henry, P.; Godard, V.; Bourlange, S.

2009-12-01

Accreting margins often display an outer thrust and fold belt and an inner forearc domain overlying the subduction plate. Assuming that this overlying material behaves as Coulomb material, the outer wedge and the inner wedge are classically approximated as a critical state and a stable state Coulomb wedge, respectively. Critical Coulomb wedge theory can account for the transition from wedge to forearc. However, it cannot be used to determine the state of stress in the transition zone, nor the consequences of a discontinuity within the margin. The presence of a discontinuity such as a splay fault having a low effective friction coefficient should affect the stress state within the wedge, at least locally around the splay fault. Moreover, the effective friction coefficient of the seismogenic zone is expected to vary during the seismic cycle, and this may influence the stability of the Coulomb wedges. We use the ADELI finite element code (Chery and Hassani, 2000) to model the quasi-static stress and strain of a decollement and splay fault system, within a two dimensional elasto-plastic wedge with Drucker-Prager rheology. The subduction plane, the basal decollement of the accretionary wedge and the splay fault are modeled with contact elements. The modeled margin comprises an inner and an outer domain with distinct tapers and basal friction coefficients. For a given splay fault geometry, we evaluate the friction coefficient threshold for splay fault activation as a function of the basal friction coefficients, and examine the consequences of motion along the splay fault on stress and strain within the wedge and on the surface slope at equilibrium. Friction coefficients are varied in time to mimic the consequence of the seismic cycle on the static stress state and strain distribution. Results show the possibility of coexistence of localized extensional regime above the splay fault within a regional compressional regime. Such coexistence is consistent with stress orientation estimation made from breakouts in the Nankai accretionary prim (Kinoshita et al, 2009).

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.

HCP to FCT + precipitate transformations in lamellar gamma-titanium aluminide alloys

NASA Astrophysics Data System (ADS)

Karadge, Mallikarjun Baburao

Fully lamellar gamma-TiAl [alpha2(HCP) + gamma(FCT)] based alloys are potential structural materials for aerospace engine applications. Lamellar structure stabilization and additional strengthening mechanisms are major issues in the ongoing development of titanium aluminides due to the microstructural instability resulting from decomposition of the strengthening alpha 2 phase. This work addresses characterization of multi-component TiAl systems to identify the mechanism of lamellar structure refinement and assess the effects of light element additions (C and Si) on creep deformation behavior. Transmission electron microscopy studies directly confirmed for the first time that, fine lamellar structure is formed by the nucleation and growth of a large number of basal stacking faults on the 1/6<112¯0> dislocations cross slipping repeatedly into and out of basal planes. This lamellar structure can be tailored by modifying jog heights through chemistry and thermal processing. alpha 2 → gamma transformation during heating (investigated by differential scanning calorimetry and X-ray diffraction) is a two step process involving the formation of a novel disordered FCC gamma' TiAl [with a(gamma') = c(gamma)] as an intermediate phase followed by ordering. Addition of carbon and silicon induced Ti2AlC H-type carbide precipitation inside the alpha2 lath and Ti 5(Al,Si)3 zeta-type silicide precipitation at the alpha 2/gamma interface. The H-carbides preserve alpha2/gamma type interfaces, while zeta-silicide precipitates restrict ledge growth and interfacial sliding enabling strong resistance to creep deformation.

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.

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.

Optical investigation of microscopic defect distribution in semi-polar (1-101 and 11-22) InGaN light-emitting diodes

NASA Astrophysics Data System (ADS)

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

2016-02-01

Near-field scanning optical microscopy was applied to investigate the spatial variations of extended defects and their effects on the optical quality for semi-polar (1-101) and (11-22) InGaN light emitting diodes (LEDs). (1-101) and (11-22) oriented InGaN LEDs emitting at 450-470 nm were grown on patterned Si (001) 7° offcut substrates and m-sapphire substrates by means of nano-epitaxial lateral overgrowth (ELO), respectively. For (1-101) structures, the photoluminescence (PL) at 85 K from the near surface c+ wings was found to be relatively uniform and strong across the sample. However, emission from the c- wings was substantially weaker due to the presence of high density of threading dislocations (TDs) and basal plane stacking faults (BSFs) as revealed from the local PL spectra. In case of (11-22) LED structures, near-field PL intensity correlated with the surface features and the striations along the direction parallel to the c-axis projection exposed facets where the Indium content was higher as deduced from shift in the PL peak energy.

Ion-induced crystal damage during plasma-assisted MBE growth of GaN layers

NASA Astrophysics Data System (ADS)

Kirchner, V.; Heinke, H.; Birkle, U.; Einfeldt, S.; Hommel, D.; Selke, H.; Ryder, P. L.

1998-12-01

Gallium nitride layers were grown by plasma-assisted molecular-beam epitaxy on (0001)-oriented sapphire substrates using an electron cyclotron resonance (ECR) and a radio frequency (rf) plasma source. An applied substrate bias was varied from -200 to +250 V, resulting in a change of the density and energy of nitrogen ions impinging the growth surface. The layers were investigated by high-resolution x-ray diffractometry and high-resolution transmission electron microscopy (HRTEM). Applying a negative bias during growth has a marked detrimental effect on the crystal perfection of the layers grown with an ECR plasma source. This is indicated by a change in shape and width of (0002) and (202¯5) reciprocal lattice points as monitored by triple axis x-ray measurements. In HRTEM images, isolated basal plane stacking faults were found, which probably result from precipitation of interstitial atoms. The crystal damage in layers grown with a highly negative substrate bias is comparable to that observed for ion implantation processes at orders of magnitude larger ion energies. This is attributed to the impact of ions on the growing surface. None of the described phenomena was observed for the samples grown with the rf plasma source.

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.

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.

Effect of LPSO and SFs on microstructure evolution and mechanical properties of Mg-Gd-Y-Zn-Zr alloy

NASA Astrophysics Data System (ADS)

Xu, Chao; Nakata, Taiki; Qiao, Xiaoguang; Zheng, Mingyi; Wu, Kun; Kamado, Shigeharu

2017-01-01

High performance Mg-8.2Gd-3.8Y-1.0Zn-0.4Zr alloy with high strength and excellent ductility has been successfully developed by hot extrusion. The effect of plate-shaped long period stacking ordered (LPSO) phases and solute-segregated stacking faults (SFs) on the dynamically recrystallization (DRX) behavior was analyzed. The plate-shaped LPSO phases stimulate the DRX by particle stimulated nucleation mechanism, leading to higher DRX ratio and weaker basal texture. While for the alloy with dense fine SFs inside the original grains, discontinuous DRX initially occurs at the original grain boundaries, and the DRX is obviously restricted. Consequently, alloy containing dense SFs exhibits higher strength but lower ductility compared with alloy with plated-shaped LPSO phases.

Effect of LPSO and SFs on microstructure evolution and mechanical properties of Mg-Gd-Y-Zn-Zr alloy

PubMed Central

Xu, Chao; Nakata, Taiki; Qiao, Xiaoguang; Zheng, Mingyi; Wu, Kun; Kamado, Shigeharu

2017-01-01

High performance Mg-8.2Gd-3.8Y-1.0Zn-0.4Zr alloy with high strength and excellent ductility has been successfully developed by hot extrusion. The effect of plate-shaped long period stacking ordered (LPSO) phases and solute-segregated stacking faults (SFs) on the dynamically recrystallization (DRX) behavior was analyzed. The plate-shaped LPSO phases stimulate the DRX by particle stimulated nucleation mechanism, leading to higher DRX ratio and weaker basal texture. While for the alloy with dense fine SFs inside the original grains, discontinuous DRX initially occurs at the original grain boundaries, and the DRX is obviously restricted. Consequently, alloy containing dense SFs exhibits higher strength but lower ductility compared with alloy with plated-shaped LPSO phases. PMID:28134297

Impact of temperature and nitrogen composition on the growth of GaAsPN alloys

NASA Astrophysics Data System (ADS)

Yamane, Keisuke; Mugikura, Shun; Tanaka, Shunsuke; Goto, Masaya; Sekiguchi, Hiroto; Okada, Hiroshi; Wakahara, Akihiro

2018-03-01

This paper presents the impact of temperature and nitrogen-composition on the growth mode and crystallinity of GaAsPN alloys. Reflection high-energy electron diffraction results combined with transmission electron microscopy analysis revealed that maintaining two-dimensional (2-D) growth required higher temperatures when nitrogen composition increased. Outside the 2-D growth windows, stacking faults and micro-twins were preferentially formed at {1 1 1} B planes rather than at the {1 1 1} A planes and anomalous growth was observed. The photoluminescence spectra of GaAsPN layers implies that the higher temperature growth is effective for reducing the nitrogen-related point defects.

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.

Theoretical investigation of structural and optical properties of semi-fluorinated bilayer graphene

NASA Astrophysics Data System (ADS)

Xiao-Jiao, San; Bai, Han; Jing-Geng, Zhao

2016-03-01

We have studied the structural and optical properties of semi-fluorinated bilayer graphene using density functional theory. When the interlayer distance is 1.62 Å, the two graphene layers in AA stacking can form strong chemical bonds. Under an in-plane stress of 6.8 GPa, this semi-fluorinated bilayer graphene becomes the energy minimum. Our calculations indicate that the semi-fluorinated bilayer graphene with the AA stacking sequence and rectangular fluorinated configuration is a nonmagnetic semiconductor (direct gap of 3.46 eV). The electronic behavior at the vicinity of the Fermi level is mainly contributed by the p electrons of carbon atoms forming C=C double bonds. We compare the optical properties of the semi-fluorinated bilayer graphene with those of bilayer graphene stacked in the AA sequence and find that the semi-fluorinated bilayer graphene is anisotropic for the polarization vector on the basal plane of graphene and a red shift occurs in the [010] polarization, which makes the peak at the low-frequency region located within visible light. This investigation is useful to design polarization-dependence optoelectronic devices. Project supported by the Program of Educational Commission of Heilongjiang Province, China (Grant No. 12541131).

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

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.

Erosion controls transpressional wedge kinematics

NASA Astrophysics Data System (ADS)

Leever, K. A.; Oncken, O.

2012-04-01

High resolution digital image analysis of analogue tectonic models reveals that erosion strongly influences the kinematics of brittle transpressional wedges. In the basally-driven experimental setup with low-angle transpression (convergence angle of 20 degrees) and a homogeneous brittle rheology, a doubly vergent wedge develops above the linear basal velocity discontinuity. In the erosive case, the experiment is interrupted and the wedge topography fully removed at displacement increments of ~3/4 the model thickness. The experiments are observed by a stereo pair of high resolution CCD cameras and the incremental displacement field calculated by Digital Particle Image Velocimetry (DPIV). From this dataset, fault slip on individual fault segments - magnitude and angle on the horizontal plane relative to the fault trace - is extracted using the method of Leever et al. (2011). In the non-erosive case, after an initial stage of strain localization, the wedge experiences two transient stages of (1) oblique slip and (2) localized strain partitioning. In the second stage, the fault slip angle on the pro-shear(s) rotates by some 30 degrees from oblique to near-orthogonal. Kinematic steady state is attained in the third stage when a through-going central strike-slip zone develops above the basal velocity discontinuity. In this stage, strain is localized on two main faults (or fault zones) and fully partitioned between plate boundary-parallel displacement on the central strike-slip zone and near-orthogonal reverse faulting at the front (pro-side) of the wedge. The fault slip angle on newly formed pro-shears in this stage is stable at 60-65 degrees (see also Leever et al., 2011). In contrast, in the erosive case, slip remains more oblique on the pro-shears throughout the experiment and a separate central strike-slip zone does not form, i.e. strain partitioning does not fully develop. In addition, more faults are active simultaneously. Definition of stages is based on slip on the retro-side of the wedge. In the first stage, the slip angle on the retro-shear is 27 +/- 12 degrees. In a subsequent stage, slip on the retro-side is partitioned between strike-slip and oblique (~35 degrees) faulting. In the third stage, the slip angle on the retro side stabilizes at ~10 degrees. The pro-shears are characterized by very different kinematics. Two pro-shears tend to be active simultaneously, the extinction of the older fault shortly followed by the initiation of a new one in a forelandward breaking sequence. Throughout the experiment, the fault slip on the pro-shears is 40-60 degrees at their initiation, gradually decreasing to nearly strike-slip at the moment of fault extinction. This is a rotation of similar magnitude but in the reverse direction compared to the non-erosive case. The fault planes themselves do not rotate. Leever, K. A., R. H. Gabrielsen, D. Sokoutis, and E. Willingshofer (2011), The effect of convergence angle on the kinematic evolution of strain partitioning in transpressional brittle wedges: Insight from analog modeling and high-resolution digital image analysis, Tectonics, 30(2), TC2013.

Processing and characterization of zeta-Ta4C 3-x: A high toughness tantalum carbide

NASA Astrophysics Data System (ADS)

Sygnatowicz, Michael M.

Tantalum carbides are commonly processed by hot-pressing, canned hot-isostatic-pressing, or spark-plasma sintering because of their high melting temperatures and low diffusivities. This study reports processing of dense ζ-Ta4C 3-x by reaction sintering of a Ta and TaC powder mixture (C/Ta atomic ratio = 0.66). ζ-Ta4C3-x is of interest due to its rhombohedral (trigonal) crystal structure that may be characterized as a polytype with both face-centered-cubic (fcc) and hexagonal-close-packed (hcp) Ta stacking sequences interrupted by stacking faults and missing carbon layers. This structure leads to easy cleaving on the basal planes and high fracture toughness. A key step in processing is the hydrogenation of the Ta powder to produce beta-TaH x, a hard and brittle phase that enables efficient comminution during milling and production of small, equiaxed Ta particles that can be packed to high green density with the TaC powder. Studies of phase evolution by quantitative X-ray diffraction during sintering revealed several intermediate reactions: (a) decomposition of beta-TaHx to Ta, (b) diffusion of C from gamma-TaC to Ta leading to the formation of α-Ta2Cy' with the kinetics described by the Johnson-Mehl-Avrami-Kolmogorov (JMAK) equation with an exponent, n = 0.5, and an activation energy of 221 kJ/mole, (c) equilibration of α-Ta2Cy' and gamma-TaC 0.78 phases, and (d) formation of ζ-Ta4C2.56 from the equilibrated α-Ta2C and gamma-TaC0.78 phases with the kinetics characterized by a higher JMAK exponent ( n ≈ 3) and higher activation energy (1089 kJ/mole). The microstructure showed evidence of nucleation and growth of the ζ-Ta4C 2.56 phase in both the α-Ta2C and gamma-TaC0.78 parent phases with distinct difference in the morphology due to the different number of variants of the habit plane. A hot-pressed and hot-isostatic-pressed (HIPed) material (C/Ta atomic ratio = 0.66), having formed 95 w% ζ-phase, attained a fracture toughness of 15.6 +/- 0.5 MPa√m and a fracture strength of 508 +/- 97 MPa, while a pressureless sintered and HIPed counterpart, having formed 89 w% ζ-phase and 11 w% gamma-TaC0.78, attained a fracture toughness of 13.7 +/- 0.3 MPa√m and a fracture strength of 679 +/- 56 MPa. All ζ-phase containing materials showed rising R-curves. The high fracture toughness and rising R-curve were attributed to ligament bridging across the crack face. The ligaments, called lamella, were formed as a result of weak cleavage planes in the basal plane of the ζ-Ta4C 3-x crystal.

Effect of hydrogenation conditions on the microstructure and mechanical properties of zirconium hydride

NASA Astrophysics Data System (ADS)

Muta, Hiroaki; Nishikane, Ryoji; Ando, Yusuke; Matsunaga, Junji; Sakamoto, Kan; Harjo, Stefanus; Kawasaki, Takuro; Ohishi, Yuji; Kurosaki, Ken; Yamanaka, Shinsuke

2018-03-01

Precipitation of brittle zirconium hydrides deteriorate the fracture toughness of the fuel cladding tubes of light water reactor. Although the hydride embrittlement has been studied extensively, little is known about physical properties of the hydride due to the experimental difficulties. In the present study, to elucidate relationship between mechanical properties and microstructure, two δ-phase zirconium hydrides and one ε-phase zirconium hydride were carefully fabricated considering volume changes at the metal-to-hydride transformation. The δ-hydride that was fabricated from α-zirconium exhibits numerous inner cracks due to the large volume change. Analyses of the neutron diffraction pattern and electron backscatter diffraction (EBSD) data show that the sample displays significant stacking faults in the {111} plane and in the pseudo-layered microstructure. On the other hand, the δ-hydride sample fabricated from β-zirconium at a higher temperature displays equiaxed grains and no cracks. The strong crystal orientation dependence of mechanical properties were confirmed by indentation test and EBSD observation. The δ-hydride hydrogenated from α-zirconium displays a lower Young's modulus than that prepared from β-zirconium. The difference is attributed to stacking faults within the {111} plane, for which the Young's modulus exhibits the highest value in the perpendicular direction. The strong influence of the crystal orientation and dislocation density on the mechanical properties should be considered when evaluating hydride precipitates in nuclear fuel cladding.

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

Atomistic simulations of deformation mechanisms in ultralight weight Mg-Li alloys

NASA Astrophysics Data System (ADS)

Karewar, Shivraj

Mg alloys have spurred a renewed academic and industrial interest because of their ultra-light-weight and high specific strength properties. Hexagonal close packed Mg has low deformability and a high plastic anisotropy between basal and non-basal slip systems at room temperature. Alloying with Li and other elements is believed to counter this deficiency by activating non-basal slip by reducing their nucleation stress. In this work I study how Li addition affects deformation mechanisms in Mg using atomistic simulations. In the first part, I create a reliable and transferable concentration dependent embedded atom method (CD-EAM) potential for my molecular dynamics study of deformation. This potential describes the Mg-Li phase diagram, which accurately describes the phase stability as a function of Li concentration and temperature. Also, it reproduces the heat of mixing, lattice parameters, and bulk moduli of the alloy as a function of Li concentration. Most importantly, our CD-EAM potential reproduces the variation of stacking fault energy for basal, prismatic, and pyramidal slip systems that in uences the deformation mechanisms as a function of Li concentration. This success of CD-EAM Mg-Li potential in reproducing different properties, as compared to literature data, shows its reliability and transferability. Next, I use this newly created potential to study the effect of Li addition on deformation mechanisms in Mg-Li nanocrystalline (NC) alloys. Mg-Li NC alloys show basal slip, pyramidal type-I slip, tension twinning, and two-compression twinning deformation modes. Li addition reduces the plastic anisotropy between basal and non-basal slip systems by modifying the energetics of Mg-Li alloys. This causes the solid solution softening. The inverse relationship between strength and ductility therefore suggests a concomitant increase in alloy ductility. A comparison of the NC results with single crystal deformation results helps to understand the qualitative and quantitative effect of Li addition in Mg on nucleation stress and fault energies of each deformation mode. The nucleation stress and fault energies of basal dislocations and compression twins in single crystal Mg-Li alloy increase while those for pyramidal dislocations and tension twinning decrease. This variation in respective values explains the reduction in plastic anisotropy and increase in ductility for Mg-Li alloys.

Understanding Defect-Stabilized Noncovalent Functionalization of Graphene

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

Zhou, Hua; Uysal, Ahmet; Anjos, Daniela M.

2015-09-01

The noncovalent functionalization of graphene by small molecule aromatic adsorbates, phenanthrenequinone (PQ), is investigated systematically by combining electrochemical characterization, high-resolution interfacial X-ray scattering, and ab initio density functional theory calculations. The findings in this study reveal that while PQ deposited on pristine graphene is unstable to electrochemical cycling, the prior introduction of defects and oxygen functionality (hydroxyl and epoxide groups) to the basal plane by exposure to atomic radicals (i.e., oxygen plasma) effectively stabilizes its noncovalent functionalization by PQ adsorption. The structure of adsorbed PQ molecules resembles the graphene layer stacking and is further stabilized by hydrogen bonding with terminalmore » hydroxyl groups that form at defect sites within the graphene basal plane. The stabilized PQ/graphene interface demonstrates persistent redox activity associated with proton-coupled-electron-transfer reactions. The resultant PQ adsorbed structure is essentially independent of electrochemical potentials. These results highlight a facile approach to enhance functionalities of the otherwise chemically inert graphene using noncovalent interactions.« less

Understanding Defect-Stabilized Noncovalent Functionalization of Graphene

DOE PAGES

Zhou, Hua; Uysal, Ahmet; Anjos, Daniela M.; ...

2015-09-01

For the noncovalent functionalization of graphene by small molecule aromatic adsorbates, phenanthrenequinone (PQ), is investigated systematically by combining electrochemical characterization, high-resolution interfacial X-ray scattering, and ab initio density functional theory calculations. The fi ndings in this study reveal that while PQ deposited on pristine graphene is unstable to electrochemical cycling, the prior introduction of defects and oxygen functionality (hydroxyl and epoxide groups) to the basal plane by exposure to atomic radicals (i.e., oxygen plasma) effectively stabilizes its noncovalent functionalization by PQ adsorption. Moreover, the structure of adsorbed PQ molecules resembles the graphene layer stacking and is further stabilized by hydrogenmore » bonding with terminal hydroxyl groups that form at defect sites within the graphene basal plane. The stabilized PQ/graphene interface demonstrates persistent redox activity associated with proton-coupled-electron-transfer reactions. The resultant PQ adsorbed structure is essentially independent of electrochemical potentials. Finally, these results highlight a facile approach to enhance functionalities of the otherwise chemically inert graphene using noncovalent interactions.« less

Thermodynamics of dilute 3He-4He solid solutions with hcp structure

NASA Astrophysics Data System (ADS)

Chishko, K. A.

2018-02-01

To interpret the anomalies in heat capacity CV(T) and temperature-dependent pressure P(T) of solid hexagonal close-packed (hcp) 4He we exploit the model of hcp crystalline polytype with specific lattice degrees of freedom and describe the thermodynamics of impurity-free 4He solid as superposition of phononic and polytypic contributions. The hcp-based polytype is a stack of 2D basal atomic monolayers on triangular lattice packed with arbitrary long (up to infinity) spatial period along the hexagonal c axis perpendicular to the basal planes. It is a crystal with perfect ordering along the layers, but without microscopic translational symmetry in perpendicular direction (which remains, nevertheless, the rotational crystallographic axis of third order, so that the polytype can be considered as semidisordered system). Each atom of the hcp polytype has twelve crystallographic neighbors in both first and second coordination spheres at any arbitrary packing order. It is shown that the crystal of such structure behaves as anisotropic elastic medium with specific dispersion law of phonon excitations along c axis. The free energy and the heat capacity consist of two terms: one of them is a normal contribution [with CV(T) ˜ T3] from phonon excitations in an anisotropic lattice of hexagonal symmetry, and another term (an "excessive" heat) is a contribution resulted by packing entropy from quasi-one-dimensional system of 2D basal planes on triangular lattice stacked randomly along c axis without braking the closest pack between neighboring atomic layers. The excessive part of the free energy has been treated within 1D quasi-Ising (lattice gas) model using the transfer matrix approach. This model makes us possible to interpret successfully the thermodynamic anomaly (heat capacity peak in hcp 4He) observed experimentally.

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.

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.

Plasma-enhanced chemical vapor deposition of multiwalled carbon nanofibers.

PubMed

Matthews, Kristopher; Cruden, Brett A; Chen, Bin; Meyyappan, M; Delzeit, Lance

2002-10-01

Plasma-enhanced chemical vapor deposition is used to grow vertically aligned multiwalled carbon nanofibers (MWNFs). The graphite basal planes in these nanofibers are not parallel as in nanotubes; instead they exhibit a small angle resembling a stacked cone arrangement. A parametric study with varying process parameters such as growth temperature, feedstock composition, and substrate power has been conducted, and these parameters are found to influence the growth rate, diameter, and morphology. The well-aligned MWNFs are suitable for fabricating electrode systems in sensor and device development.

Plasma-enhanced chemical vapor deposition of multiwalled carbon nanofibers

NASA Technical Reports Server (NTRS)

Matthews, Kristopher; Cruden, Brett A.; Chen, Bin; Meyyappan, M.; Delzeit, Lance

2002-01-01

Plasma-enhanced chemical vapor deposition is used to grow vertically aligned multiwalled carbon nanofibers (MWNFs). The graphite basal planes in these nanofibers are not parallel as in nanotubes; instead they exhibit a small angle resembling a stacked cone arrangement. A parametric study with varying process parameters such as growth temperature, feedstock composition, and substrate power has been conducted, and these parameters are found to influence the growth rate, diameter, and morphology. The well-aligned MWNFs are suitable for fabricating electrode systems in sensor and device development.

Monoclinic crystal structure of α - RuCl 3 and the zigzag antiferromagnetic ground state

DOE PAGES

Johnson, R. D.; Williams, S. C.; Haghighirad, A. A.; ...

2015-12-10

We have proposed the layered honeycomb magnet α - RuCl 3 as a candidate to realize a Kitaev spin model with strongly frustrated, bond-dependent, anisotropic interactions between spin-orbit entangled j eff = 1/2 Ru 3 + magnetic moments. We report a detailed study of the three-dimensional crystal structure using x-ray diffraction on untwinned crystals combined with structural relaxation calculations. We consider several models for the stacking of honeycomb layers and find evidence for a parent crystal structure with a monoclinic unit cell corresponding to a stacking of layers with a unidirectional in-plane offset, with occasional in-plane sliding stacking faults, inmore » contrast with the currently assumed trigonal three-layer stacking periodicity. We also report electronic band-structure calculations for the monoclinic structure, which find support for the applicability of the j eff = 1/2 picture once spin-orbit coupling and electron correlations are included. Of the three nearest-neighbor Ru-Ru bonds that comprise the honeycomb lattice, the monoclinic structure makes the bond parallel to the b axis nonequivalent to the other two, and we propose that the resulting differences in the magnitude of the anisotropic exchange along these bonds could provide a natural mechanism to explain the previously reported spin gap in powder inelastic neutron scattering measurements, in contrast to spin models based on the three-fold symmetric trigonal structure, which predict a gapless spectrum within linear spin wave theory. Our susceptibility measurements on both powders and stacked crystals, as well as magnetic neutron powder diffraction, show a single magnetic transition upon cooling below T N ≈ 13 K. Our analysis of our neutron powder diffraction data provides evidence for zigzag magnetic order in the honeycomb layers with an antiferromagnetic stacking between layers. Magnetization measurements on stacked single crystals in pulsed field up to 60 T show a single transition around 8 T for in-plane fields followed by a gradual, asymptotic approach to magnetization saturation, as characteristic of strongly anisotropic exchange interactions.« less

Kinematics of syn- and post-exhumational shear zones at Lago di Cignana (Western Alps, Italy): constraints on the exhumation of Zermatt-Saas (ultra)high-pressure rocks and deformation along the Combin Fault and Dent Blanche Basal Thrust

NASA Astrophysics Data System (ADS)

Kirst, Frederik; Leiss, Bernd

2017-01-01

Kinematic analyses of shear zones at Lago di Cignana in the Italian Western Alps were used to constrain the structural evolution of units from the Piemont-Ligurian oceanic realm (Zermatt-Saas and Combin zones) and the Adriatic continental margin (Dent Blanche nappe) during Palaeogene syn- and post-exhumational deformation. Exhumation of Zermatt-Saas (U)HP rocks to approximately lower crustal levels at ca. 39 Ma occurred during normal-sense top-(S)E shearing under epidote-amphibolite-facies conditions. Juxtaposition with the overlying Combin zone along the Combin Fault at mid-crustal levels occurred during greenschist-facies normal-sense top-SE shearing at ca. 38 Ma. The scarcity of top-SE kinematic indicators in the hanging wall of the Combin Fault probably resulted from strain localization along the uppermost Zermatt-Saas zone and obliteration by subsequent deformation. A phase of dominant pure shear deformation around 35 Ma affected units in the direct footwall and hanging wall of the Combin Fault. It is interpreted to reflect NW-SE crustal elongation during updoming of the nappe stack as a result of underthrusting of European continental margin units and the onset of continental collision. This phase was partly accompanied and followed by ductile bulk top-NW shearing, especially at higher structural levels, which transitioned into semi-ductile to brittle normal-sense top-NW deformation due to Vanzone phase folding from ca. 32 Ma onwards. Our structural observations suggest that syn-exhumational deformation is partly preserved within units and shear zones exposed at Lago di Cignana but also that the Combin Fault and Dent Blanche Basal Thrust experienced significant post-exhumational deformation reworking and overprinting earlier structures.

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.

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.

The magnetic ground state and relationship to Kitaev physics in α-RuCl3

NASA Astrophysics Data System (ADS)

Banerjee, Arnab

The 2D Kitaev candidate alpha-RuCl3 consists of stacked honeycomb layers weakly coupled by Van der Waals interactions. Here we report the measurements of bulk properties and neutron diffraction in both powder and single crystal samples. Our results show that the full three dimensional magnetic ground state is highly pliable with at least two dominant phases corresponding to two different out-of-plane magnetic orders. They have different Neel temperatures dependent on the stacking of the 2D layers, such as a broad magnetic transition at TN = 14 K as observed in phase-pure powder samples, or a sharp magnetic transition at a lower TN = 7 K as observed in homogeneous single crystals with no evidence for stacking faults. The magnetic refinements of the neutron scattering data will be discussed, which in all cases shows the in-plane magnetic ground state is the zigzag phase common in Kitaev related materials including the honeycomb lattice Iridates. Inelastic neutron scattering in all cases shows that this material consistently exhibit strong two-dimensional magnetic fluctuations leading to a break-down of the classical spin-wave picture. Work performed at ORNL is supported by U.S. Dept. of Energy, Office of Basic Energy Sciences and Office of User Facilities Division.

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

Neogene compressional deformation and possible thrust faulting in southwest Dominican Republic

NASA Technical Reports Server (NTRS)

Golombek, M. P.; Goreau, P.; Dixon, T. H.

1985-01-01

Analysis of regional and high resolution remote sensing data coupled with detailed field investigations indicates Neogene compressional deformation in the southwest Dominican Republic. Airborne synthetic aperture radar data and high resolution near infrared photography show folds in Tertiary sediments and possible thrust fault scarps implying NE to SW compression in the region. Large road cuts through the scarps allow study of otherwise poorly accessible, heavily vegetated karst terrain. Deformation increases toward scrap fronts where small bedding-plane thrust faults become more numerous. Analysis of mesoscopic faults with slickensides indicates compression oriented between N to S and E to W. The lowermost scarp has highly sheared fault breccia and undeformed frontal talus breccias implying it is the basal thrust into which the higher thrust faults sole. Thus, the scarps probably formed in a regional NE to SW compressional stress regime and are the toes of thrust sheets. Previous workers have suggested that these scarps are ancient shorelines. However, the gross morphology of the scarps differs substantially from well known erosional terraces on the north coast.

A pseudo-3D approach based on electron backscatter diffraction and backscatter electron imaging to study the character of phase boundaries between Mg and long period stacking ordered phase in a Mg–2Y–Zn alloy

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

Afshar, Mehran, E-mail: m.afshar@mpie.de; Zaefferer, Stefan, E-mail: s.zaefferer@mpie.de

2015-03-15

In Mg–2 at.% Y–1 at.% Zn alloys, the LPSO (Long Period Stacking Ordered) phase is important to improve mechanical properties of the material. The aim of this paper is to present a study on the phase boundary character in these two-phase alloys. Using EBSD pattern analysis it was found that the 24R structure is the dominant LPSO phase structure in the current alloy. The phase boundary character between the Mg matrix and the LPSO phase was investigated using an improved pseudo-3D EBSD (electron backscatter diffraction) technique in combination with BSE or SE (backscatter or secondary electron) imaging. A large amountmore » of very low-angle phase boundaries was detected. The (0 0 0 2) plane in the Mg matrix which is parallel to the (0 0 0 24) plane in the LPSO phase was found to be the most frequent plane for these phase boundaries. This plane is supposed to be the habit plane of the eutectic co-solidification of the Mg matrix and the LPSO phase. - Highlights: • It is shown that for the investigated alloy the LPSO phase has mainly 24R crystal structure. • A new method is presented which allows accurate determination of the 5-parameter grain or phase boundary character. • It is found that the low-angle phase boundaries appearing in the alloy all have basal phase boundary planes.« less

Elimination of trench defects and V-pits from InGaN/GaN structures

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

Smalc-Koziorowska, Julita; Grzanka, Ewa; Czernecki, Robert

2015-03-09

The microstructural evolution of InGaN/GaN multiple quantum wells grown by metalorganic chemical vapor phase epitaxy was studied as a function of the growth temperature of the GaN quantum barriers (QBs). We observed the formation of basal stacking faults (BSFs) in GaN QBs grown at low temperature. The presence of BSFs terminated by stacking mismatch boundaries (SMBs) leads to the opening of the structure at the surface into a V-shaped trench loop. This trench may form above an SMB, thereby terminating the BSF, or above a junction between the SMB and a subsequent BSF. Fewer BSFs and thus fewer trench defectsmore » were observed in GaN QBs grown at temperatures higher than 830 °C. Further increase in the growth temperature of the GaN QBs led to the suppression of the threading dislocation opening into V-pits.« less

Compositional modulated atomic layer stacking and uniaxial magnetocrystalline anisotropy of CoPt alloy sputtered films with close-packed plane orientation

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

Saito, Shin, E-mail: ssaito@ecei.tohoku.ac.jp; Nozawa, Naoki; Hinata, Shintaro

An atomic layer stacking structure in hexagonal close packed (hcp) Co{sub 100−x}Pt{sub x} alloy films with c-plane sheet texture was directly observed by a high-angle annular dark-field imaging scanning transmission electron microscopy. The analysis of sequential and/or compositional atomic layer stacking structure and uniaxial magnetocrystalline anisotropy (K{sub u} = K{sub u1} + K{sub u2}) revealed that (1) integrated intensity of the superlattice diffraction takes the maximum at x = 20 at. % and shows broadening feature against x for the film fabricated under the substrate temperature (T{sub sub}) of 400 °C. (2) Compositional separation structure in atomic layers is formed for the films fabricated under T{sub sub} = 400 °C.more » A sequential alternative stacking of atomic layers with different compositions is hardly formed in the film with x = 50 at. %, whereas easily formed in the film with x = 20 at. %. This peculiar atomic layer stacking structure consists of in-plane-disordered Pt-rich and Pt-poor layers, which is completely different from the so-called atomic site ordered structure. (3) A face centered cubic atomic layer stacking as faults appeared in the host hcp atomic layer stacking exists in accompanies with irregularities for the periodicity of the compositional modulation atomic layers. (4) K{sub u1} takes the maximum of 1.4 × 10{sup 7 }erg/cm{sup 3} at around x = 20 at. %, whereas K{sub u2} takes the maximum of 0.7 × 10{sup 7 }erg/cm{sup 3} at around x = 40 at. %, which results in the maximum of 1.8 × 10{sup 7 }erg/cm{sup 3} of K{sub u} at x = 30 at. % and a shoulder in compositional dependence of K{sub u} in the range of x = 30–60 at. %. Not only compositional separation of atomic layers but also sequential alternative stacking of different compositional layers is quite important to improve essential uniaxial magnetocrystalline anisotropy.« less

Analogue modelling of thrust systems: Passive vs. active hanging wall strain accommodation and sharp vs. smooth fault-ramp geometries

NASA Astrophysics Data System (ADS)

Rosas, F. M.; Duarte, J. C.; Almeida, P.; Schellart, W. P.; Riel, N.; Terrinha, P.

2017-06-01

We present new analogue modelling results of crustal thrust-systems in which a deformable (brittle) hanging wall is assumed to endure passive internal deformation during thrusting, i.e. exclusively as a consequence of having to adapt its shape to the variable geometry of a rigid footwall. Building on previous experimental contributions, we specifically investigate the role of two so far overlooked critical variables: a) concave-convex (CC) vs. flat-ramp-flat (FRF) thrust ramp geometry; and b) presence vs. absence of a basal velocity discontinuity (VD). Regarding the first variable, we compare new results for considered (CC) smoother ramp types against classical experiments in which (FRF) sharp ramp geometries are always prescribed. Our results show that the considered sharp vs. smooth variation in the thrust-ramp geometry produces important differences in the distribution of the local stress field in the deformable hanging wall above both (lower and upper) fault bends, with corresponding styles of strain accommodation being expressed by marked differences in measured morpho-structural parameters. Regarding the second variable, we for the first time report analogue modelling results of this type of experiments in which basal VDs are experimentally prescribed to be absent. Our results critically show that true passive hanging wall deformation is only possible to simulate in the absence of any basal VD, since active shortening accommodation always necessarily occurs in the hanging wall above such a discontinuity (i.e. above the lower fault bend). In addition, we show that the morpho-structural configuration of model thrust-wedges formed for prescribed VD absence conditions complies well with natural examples of major overthrusts, wherein conditions must occur that approximate a frictionless state along the main basal thrust-plane.

Brittle-viscous deformation of vein quartz under fluid-rich lower greenschist facies conditions

NASA Astrophysics Data System (ADS)

Kjøll, H. J.; Viola, G.; Menegon, L.; Sørensen, B. E.

2015-06-01

We studied by Electron BackScatter Diffraction (EBSD) and optical microscopy a coarse-grained (ca. 0.5-6 mm) quartz vein embedded in a phyllonitic matrix to gain insights into the recrystallization mechanisms and the processes of strain localization in quartz deformed under lower greenschist facies conditions, broadly coincident with the brittle-viscous transition. The vein deformed during faulting along a phyllonitic thrust of Caledonian age within the Porsa Imbricate Stack in the Paleoproterozoic Repparfjord Tectonic Window in northern Norway. The phyllonite hosting the vein formed at the expense of a metabasaltic protolith through feldspar breakdown to form interconnected layers of fine, synkinematic phyllosilicates. In the mechanically weak framework of the phyllonite, the quartz vein acted as a relatively rigid body. Viscous deformation in the vein was initially accommodated by quartz basal slip. Under the prevailing deformation conditions, however, dislocation glide- and possibly creep-accommodated deformation of quartz was inefficient, and this resulted in localized strain hardening. In response to the (1) hardening, (2) progressive and cyclic increase of the fluid pressure, and (3) increasing competence contrast between the vein and the weakly foliated host phyllonite, vein quartz crystals began to deform by brittle processes along specific, suitably oriented lattice planes, creating microgouges along microfractures. Nucleated new grains rapidly sealed these fractures as fluids penetrated the actively deforming system. The grains grew initially by solution precipitation and later by grain boundary migration. We suggest that the different initial orientation of the vein crystals led to strain accommodation by different mechanisms in the individual crystals, generating remarkably different microstructures. Crystals suitably oriented for basal slip, for example, accommodated strain mainly viscously and experienced only minor fracturing. Instead, crystals misoriented for basal slip hardened and deformed predominantly by domainal fracturing. This study indicates the importance of considering shear zones as dynamic systems wherein the activated deformation mechanisms may vary through time in response to the complex temporal and spatial evolution of the shear zone, often in a cyclic fashion.

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.

Effect of Extrusion Temperature on the Plastic Deformation of an Mg-Y-Zn Alloy Containing LPSO Phase Using In Situ Neutron Diffraction

NASA Astrophysics Data System (ADS)

Garces, G.; Perez, P.; Cabeza, S.; Kabra, S.; Gan, W.; Adeva, P.

2017-11-01

The evolution of the internal strains during in situ tension and compression tests has been measured in an MgY2Zn1 alloy containing long-period stacking ordered (LPSO) phase using neutron diffraction. The alloy was extruded at two different temperatures to study the influence of the microstructure and texture of the magnesium and the LPSO phases on the deformation mechanisms. The alloy extruded at 623 K (350 °C) exhibits a strong fiber texture with the basal plane parallel to the extrusion direction due to the presence of areas of coarse non-recrystallised grains. However, at 723 K (450 °C), the magnesium phase is fully recrystallised with grains randomly oriented. On the other hand, at the two extrusion temperatures, the LPSO phase orients their basal plane parallel to the extrusion direction. Yield stress is always slightly higher in compression than in tension. Independently on the stress sign and the extrusion temperature, the beginning of plasticity is controlled by the activation of the basal slip system in the dynamic recrystallized grains. Therefore, the elongated fiber-shaped LPSO phase which behaves as the reinforcement in a metal matrix composite is responsible for this tension-compression asymmetry.

Stress Drop and Directivity Patterns Observed in Small-Magnitude (

NASA Astrophysics Data System (ADS)

Ruhl, C. J.; Hatch, R. L.; Abercrombie, R. E.; Smith, K.

2017-12-01

Recent improvements in seismic instrumentation and network coverage in the Reno, NV area have provided high-quality records of abundant microseismicity, including several swarms and clusters. Here, we discuss stress drop and directivity patterns of small-magnitude seismicity in the 2008 Mw4.9 Mogul earthquake swarm in Reno, NV and in the nearby region of an ML3.2 sequence near Virginia City, NV. In both sequences, double-difference relocated earthquakes cluster on multiple distinct structures consistent with focal mechanism and moment tensor fault plane solutions. Both sequences also show migration potentially related to fluid flow. We estimate corner frequency and stress drop using EGF-derived spectral ratios, convolving earthquake pairs (target*EGF) such that we preserve phase and recover source-time functions (STF) on a station-by-station basis. We then stack individual STFs per station for all EGF-target pairs per target earthquake, increasing the signal-to-noise of our results. By applying an azimuthal- and incidence-angle-dependent stretching factor to STFs in the time domain, we are able to invert for rupture directivity and velocity assuming both unilateral and bilateral rupture. Earthquakes in both sequences, some as low as ML2.1, show strong unilateral directivity consistent with independent fault plane solutions. We investigate and compare the relationship between rupture and migration directions on subfaults within each sequence. Average stress drops for both sequences are 4 MPa, but there is large variation in individual estimates for both sequences. Although this variation is not explained simply by any one parameter (e.g., depth), spatiotemporal variation in the Mogul swarm is distinct: coherent clusters of high and low stress drop earthquakes along the mainshock fault plane are seen, and high-stress-drop foreshocks correlate with an area of reduced aftershock productivity. These observations are best explained by a difference in rheology along the fault plane. The unprecedented detail achieved for these small magnitude earthquakes confirms that stress drop, when measured precisely, is a valuable observation of physically-meaningful fault zone properties and earthquake behavior.

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.

Brittle-viscous deformation of vein quartz under fluid-rich low greenschist facies conditions

NASA Astrophysics Data System (ADS)

Jørgen Kjøll, Hans; Viola, Giulio; Menegon, Luca; Sørensen, Bjørn

2015-04-01

A coarse grained, statically crystallized quartz vein with a random CPO, embedded in a phyllonitic matrix, was studied by optical microscopy, SEM imaging and EBSD to gain insights into the processes of strain localization in quartz deformed under low greenschist facies conditions at the frictional-viscous transition. The vein is located in a high strain zone at the front of an imbricate stack of Caledonian age along the northwesternmost edge of the Repparfjord Tectonic Window in northern Norway. The vein was deformed within the Nussirjavrri Fault Zone (NFZ), an out-of-sequence thrust with a phyllonitic core characterized by a ramp-flat-ramp geometry, NNW plunging stretching lineations and top-to-the SSE thrusting kinematics. Deformation conditions are typical of the frictional-viscous transition. The phyllonitic core formed at the expense of metabasalt wherein feldspar broke down to form interconnected layers of fine, synkinematic phyllosilicates. In the mechanically weak framework of the phyllonite, the studied quartz vein acted as a relatively rigid body deforming mainly by coaxial strain. Viscous deformation, related to the development of a mesoscopic pervasive extensional crenulation cleavage, was accommodated within the vein initially by basal slip of suitably oriented quartz crystals, which produced e.g. undulose extinction, extinction bands and bulging grain boundaries. In the case of misoriented quartz crystals, however, glide-accommodated dislocation creep resulted soon inefficient and led to localized dislocation tangling and strain hardening. In response to 1) hardening, 2) progressive increase of fluid pressure within the actively deforming vein and 3) increasing competence contrast between the vein and the surrounding weak, foliated phyllonitic fault core, quartz crystals began to deform frictionally along specific lattice planes oriented optimally with respect to the imposed stress field. Microfaulting generated small volumes of gouge along intracrystalline microfractures. These fractures were rapidly sealed by nucleation of new grains as transiently over-pressured fluids flushed the deforming system. The new nucleated grains grew initially by solution-precipitation and later by grain boundary migration. They are relatively strain free and show a scattered CPO in resemblance with the host grain, although there is a slight synthetic rotation of the crystallographic axes. Due to the random initial orientation of the vein crystals, strain was thus accommodated differently in the individual crystals, leading to the development of remarkably different microstructures. Crystals oriented optimally for basal slip accommodated strain mainly in a viscous fashion and experienced only minor to no fracturing. Instead, crystals misoriented for basal slip hardened and deformed by pervasive fracturing promoted by the fluid over-pressure and controlled by the orientation of crystallographic planes. Viscous deformation continued after the microfractures sealed, again increasing the fluid pressure. This study indicates the importance of considering shear zones as dynamic systems wherein the activated deformation mechanisms vary transiently in response to the complex temporal and spatial evolution of the shear zone, often in a cyclic fashion.

The 2016 Central Italy "reverse" seismic sequence

NASA Astrophysics Data System (ADS)

Chiaraluce, Lauro; Di Stefano, Raffaele; Tinti, Elisa; Scognamiglio, Laura; Michele, Maddalena; Cattaneo, Marco; De Gori, Pasquale; Chiarabba, Claudio; Monachesi, Giancarlo; Lombardi, Annamaria; Valoroso, Luisa; Latorre, Diana; Marzorati, Simone

2017-04-01

The 2016 seismic sequence consists so far of a series of moderate to large earthquakes that within three month's time activated a 60 km long segmented normal fault system located in the Central Italy and almost contiguous to the 1997 Colfiorito and 2009 L'Aquila normal fault systems. The first mainshock of the sequence occurred with MW6.0 on the 24th of August at 01:36 UTC close to the Accumoli and Amatrice villages producing evidence for centimetres' surface ruptures along the Mt. Vettore normal fault outcrop. Two months later on the 26th of October at 19:18 UTC another mainshock with MW5.9 occurred 25 km to the north activating another normal fault segment approximately on the along strike continuation of the first structure. Then, four days later on the 30th of October at 06:40 UTC the largest shock of the sequence with MW6.5 close to Norcia, in the middle part of the fault system activated two months before. We reconstruct the first order anatomy of the activated normal faults system, by analysing the spatial and temporal distribution of 25,354 aftershocks with 0.1

Ferro-Lattice-Distortions and Charge Fluctuations in Superconducting LaO 1- x F x BiS 2

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

Athauda, Anushika; Hoffmann, Christina; Aswartham, Saicharan

2017-05-15

Competing ferroelectric and charge density wave states have been proposed to exist in the electron–phonon coupled LaO1-xFxBiS2 superconductor. The lattice instability is proposed to arise from unstable phonon modes that can break the crystal symmetry. Using single crystal diffraction, a superlattice pattern is observed, that arises from coherent in-plane displacements of the sulfur atoms in the BiS2 superconducting planes. The distortions morph into coordinated ferrodistortive patterns with displacements in the x- and y-directions, that alternate along the c-axis. Diffuse scattering is observed along the (H0L) plane due to stacking faults but not along the (HH0) plane. The ferro-distortive pattern remainsmore » in the superconducting state upon fluorine doping, but the displacements are diminished in magnitude. Moreover, we find that the in-plane distortions give rise to disorder where the (00L) reflections become quite broad. It is possible that charge carriers can get trapped in the lattice deformations reducing the effective number of carriers available for pairing.« less

Homoepitaxial and Heteroepitaxial Growth on Step-Free SiC Mesas

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.; Powell, J. Anthony

2004-01-01

This article describes the initial discovery and development of new approaches to SiC homoepitaxial and heteroepitaxial growth. These approaches are based upon the previously unanticipated ability to effectively supress two-dimensional nucleation of 3C-SiC on large basal plane terraces that form between growth steps when epitaxy is carried out on 4H- and 6H-SiC nearly on-axis substrates. After subdividing the growth surface into mesa regions, pure stepflow homoeptixay with no terrace nucleation was then used to grow all existing surface steps off the edges of screw-dislocation-free mesas, leaving behind perfectly on-axis (0001) basal plane mesa surfaces completely free of atomic-scale steps. Step-free mesa surfaces as large as 0.4 mm x 0.4 mm were experimentally realized, with the yield and size of step-free mesas being initally limited by substrate screw dislocations. Continued epitaxial growth following step-free surface formation leads to the formation of thin lateral cantilevers that extend the step-free surface area from the top edge of the mesa sidewalls. By selecting a proper pre-growth mesa shape and crystallographic orientation, the rate of cantilever growth can be greatly enhanced in a web growth process that has been used to (1) enlarge step-free surface areas and (2) overgrow and laterally relocate micropipes and screw dislocations. A new growth process, named step-free surface heteroepitaxy, has been developed to achieve 3C-SiC films on 4H- and 6H-SiC substrate mesas completely free of double positioning boundary and stacking fault defects. The process is based upon the controlled terrace nucleation and lateral expansion of a single island of 3C-SiC across a step-free mesa surface. Experimental results indicate that substrateepilayer lattice mismatch is at least partially relieved parallel to the interface without dislocations that undesirably thread through the thickness of the epilayer. These results should enable realization of improved SiC homojunction and heterojunction devices. In addition, these experiments offer important insights into the nature of polytypism during SiC crystal growth.

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.

Test of the Peierls-Nabarro model for dislocations in silicon

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

Ren, Q.; Joos, B.; Duesbery, M.S.

1995-11-01

We show, using an atomistic model with a Stillinger-Weber potential (SWP), that in the absence of reconstruction, the basic assumption of the Peierls-Nabarro (PN) model that the dislocation core is spread within the glide plane is verified for silicon. The Peierls stress (PS) obtained from the two models are in quantitative agreement ({approx}0.3{mu}), when restoring forces obtained from first principles generalized stacking-fault energy surfaces are used in the PN model [B. Joos, Q. Ren, and M. S. Duesbery, Phys. Rev. B {bold 50}, 5890 (1994)]. The PS was found to be isotropic in the glide plane. Within the SWP modelmore » no evidence of dissociation in the shuffle dislocations is found but glide sets do separate into two partials.« less

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.

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.

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.

Electrochemistry at Edge of Single Graphene Layer in a Nanopore

PubMed Central

Banerjee, Shouvik; Shim, Jiwook; Rivera, Jose; Jin, Xiaozhong; Estrada, David; Solovyeva, Vita; You, Xiuque; Pak, James; Pop, Eric; Aluru, Narayana; Bashir, Rashid

2013-01-01

We study the electrochemistry of single layer graphene edges using a nanopore-based structure consisting of stacked graphene and Al2O3 dielectric layers. Nanopores, with diameters ranging from 5 to 20 nm, are formed by an electron beam sculpting process on the stacked layers. This leads to unique edge structure which, along with the atomically thin nature of the embedded graphene electrode, demonstrates electrochemical current densities as high as 1.2 × 104 A/cm2. The graphene edge embedded structure offers a unique capability to study the electrochemical exchange at an individual graphene edge, isolated from the basal plane electrochemical activity. We also report ionic current modulation in the nanopore by biasing the embedded graphene terminal with respect to the electrodes in the fluid. The high electrochemical specific current density for a graphene nanopore-based device can have many applications in sensitive chemical and biological sensing, and energy storage devices. PMID:23249127

Bis(acesulfamato-kappaO4)diaquabis(3-methylpyridine-kappaN)nickel(II).

PubMed

Dege, Necmi; Içbudak, Hasan; Adiyaman, Elif

2007-01-01

In the crystal structure of the title compound [systematic name: diaquabis(6-methyl-2,2-dioxo-1,2,3-oxathiazin-4-olato-kappaO4)bis(3-methylpyridine-kappaN)nickel(II)], [Ni(C4H4NO4S)2(C6H7N)2(H2O)2], the Ni(II) centre resides on a centre of symmetry and has a distorted octahedral geometry. The basal plane is formed by two carbonyl O atoms of two monodentate trans-oriented acesulfamate ligands and two trans aqua ligands. The axial positions in the octahedron are occupied by two N atoms of two trans pyridine ligands. Molecules are stacked in columns running along the a axis. There are pi-pi stacking interactions between the molecules in each column, with a distance of 3.623 (2) A between the centroids of the pyridine rings. There are also O-H...O interactions between the columns.

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.

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.

Intermediate activity of midge antifreeze protein is due to a tyrosine-rich ice-binding site and atypical ice plane affinity.

PubMed

Basu, Koli; Wasserman, Samantha S; Jeronimo, Paul S; Graham, Laurie A; Davies, Peter L

2016-04-01

An antifreeze protein (AFP) from a midge (Chironomidae) was recently discovered and modelled as a tightly wound disulfide-braced solenoid with a surface-exposed rank of stacked tyrosines. New isoforms of the midge AFP have been identified from RT-PCR and are fully consistent with the model. Although they differ in the number of 10-residue coils, the row of tyrosines that form the putative ice-binding site is conserved. Recombinant midge AFP has been produced, and the properly folded form purified by ice affinity. This monomeric AFP has a distinct circular dichroism spectrum, a melting temperature between 35 and 50 °C and is fully renaturable on cooling. Mutagenesis of the middle tyrosine in the rank of seven eliminates antifreeze activity, whereas mutation of a tyrosine off this predicted ice-binding face had no such effect. This AFP has unusual properties compared to other known AFPs. First, its freezing-point depression activity is intermediate between that of the hyperactive and moderately active AFPs. As with hyperactive AFPs, when midge AFP-bound ice crystals exceed their freezing-point depression, ice grows explosively perpendicular to the c-axis. However, midge AFP does not bind to the basal plane of ice as do hyperactive AFPs, but rather to a pyramidal plane that is at a shallower angle relative to the basal plane than binding planes of moderate AFPs. These properties distinguish midge AFP from all other ice-binding proteins and the intermediate activity level fits well to the modest challenge of protecting newly emerged adult insects from late spring frosts. Nucleotide sequences of new midge AFP isoforms are available in the GenBank database under accession numbers KU094814-8. Sequences will be released after publication. © 2016 Federation of European Biochemical Societies.

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.

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.

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.

Nanocrystalline copper films are never flat

NASA Astrophysics Data System (ADS)

Zhang, Xiaopu; Han, Jian; Plombon, John J.; Sutton, Adrian P.; Srolovitz, David J.; Boland, John J.

2017-07-01

We used scanning tunneling microscopy to study low-angle grain boundaries at the surface of nearly planar copper nanocrystalline (111) films. The presence of grain boundaries and their emergence at the film surface create valleys composed of dissociated edge dislocations and ridges where partial dislocations have recombined. Geometric analysis and simulations indicated that valleys and ridges were created by an out-of-plane grain rotation driven by reduction of grain boundary energy. These results suggest that in general, it is impossible to form flat two-dimensional nanocrystalline films of copper and other metals exhibiting small stacking fault energies and/or large elastic anisotropy, which induce a large anisotropy in the dislocation-line energy.

Dislocation structures of Σ3 {112} twin boundaries in face centered cubic metals

NASA Astrophysics Data System (ADS)

Wang, J.; Anderoglu, O.; Hirth, J. P.; Misra, A.; Zhang, X.

2009-07-01

High resolution transmission electron microscopy of nanotwinned Cu films revealed Σ3 {112} incoherent twin boundaries (ITBs), with a repeatable pattern involving units of three {111} atomic planes. Topological analysis shows that Σ3 {112} ITBs adopt two types of atomic structure with differing arrangements of Shockley partial dislocations. Atomistic simulations were performed for Cu and Al. These studies revealed the structure of the two types of ITBs, the formation mechanism and stability of the associated 9R phase, and the influence of stacking fault energies on them. The results suggest that Σ3 {112} ITBs may migrate through the collective glide of partial dislocations.

Earthquake cycle simulations with rate-and-state friction and power-law viscoelasticity

NASA Astrophysics Data System (ADS)

Allison, Kali L.; Dunham, Eric M.

2018-05-01

We simulate earthquake cycles with rate-and-state fault friction and off-fault power-law viscoelasticity for the classic 2D antiplane shear problem of a vertical, strike-slip plate boundary fault. We investigate the interaction between fault slip and bulk viscous flow with experimentally-based flow laws for quartz-diorite and olivine for the crust and mantle, respectively. Simulations using three linear geotherms (dT/dz = 20, 25, and 30 K/km) produce different deformation styles at depth, ranging from significant interseismic fault creep to purely bulk viscous flow. However, they have almost identical earthquake recurrence interval, nucleation depth, and down-dip coseismic slip limit. Despite these similarities, variations in the predicted surface deformation might permit discrimination of the deformation mechanism using geodetic observations. Additionally, in the 25 and 30 K/km simulations, the crust drags the mantle; the 20 K/km simulation also predicts this, except within 10 km of the fault where the reverse occurs. However, basal tractions play a minor role in the overall force balance of the lithosphere, at least for the flow laws used in our study. Therefore, the depth-integrated stress on the fault is balanced primarily by shear stress on vertical, fault-parallel planes. Because strain rates are higher directly below the fault than far from it, stresses are also higher. Thus, the upper crust far from the fault bears a substantial part of the tectonic load, resulting in unrealistically high stresses. In the real Earth, this might lead to distributed plastic deformation or formation of subparallel faults. Alternatively, fault pore pressures in excess of hydrostatic and/or weakening mechanisms such as grain size reduction and thermo-mechanical coupling could lower the strength of the ductile fault root in the lower crust and, concomitantly, off-fault upper crustal stresses.

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.

Observation of ‘hidden’ planar defects in boron carbide nanowires and identification of their orientations

PubMed Central

2014-01-01

The physical properties of nanostructures strongly depend on their structures, and planar defects in particular could significantly affect the behavior of the nanowires. In this work, planar defects (twins or stacking faults) in boron carbide nanowires are extensively studied by transmission electron microscopy (TEM). Results show that these defects can easily be invisible, i.e., no presence of characteristic defect features like modulated contrast in high-resolution TEM images and streaks in diffraction patterns. The simplified reason of this invisibility is that the viewing direction during TEM examination is not parallel to the (001)-type planar defects. Due to the unique rhombohedral structure of boron carbide, planar defects are only distinctive when the viewing direction is along the axial or short diagonal directions ([100], [010], or 1¯10) within the (001) plane (in-zone condition). However, in most cases, these three characteristic directions are not parallel to the viewing direction when boron carbide nanowires are randomly dispersed on TEM grids. To identify fault orientations (transverse faults or axial faults) of those nanowires whose planar defects are not revealed by TEM, a new approach is developed based on the geometrical analysis between the projected preferred growth direction of a nanowire and specific diffraction spots from diffraction patterns recorded along the axial or short diagonal directions out of the (001) plane (off-zone condition). The approach greatly alleviates tedious TEM examination of the nanowire and helps to establish the reliable structure–property relations. Our study calls attention to researchers to be extremely careful when studying nanowires with potential planar defects by TEM. Understanding the true nature of planar defects is essential in tuning the properties of these nanostructures through manipulating their structures. PMID:24423258

Observation of 'hidden' planar defects in boron carbide nanowires and identification of their orientations.

PubMed

Guan, Zhe; Cao, Baobao; Yang, Yang; Jiang, Youfei; Li, Deyu; Xu, Terry T

2014-01-15

The physical properties of nanostructures strongly depend on their structures, and planar defects in particular could significantly affect the behavior of the nanowires. In this work, planar defects (twins or stacking faults) in boron carbide nanowires are extensively studied by transmission electron microscopy (TEM). Results show that these defects can easily be invisible, i.e., no presence of characteristic defect features like modulated contrast in high-resolution TEM images and streaks in diffraction patterns. The simplified reason of this invisibility is that the viewing direction during TEM examination is not parallel to the (001)-type planar defects. Due to the unique rhombohedral structure of boron carbide, planar defects are only distinctive when the viewing direction is along the axial or short diagonal directions ([100], [010], or 1¯10) within the (001) plane (in-zone condition). However, in most cases, these three characteristic directions are not parallel to the viewing direction when boron carbide nanowires are randomly dispersed on TEM grids. To identify fault orientations (transverse faults or axial faults) of those nanowires whose planar defects are not revealed by TEM, a new approach is developed based on the geometrical analysis between the projected preferred growth direction of a nanowire and specific diffraction spots from diffraction patterns recorded along the axial or short diagonal directions out of the (001) plane (off-zone condition). The approach greatly alleviates tedious TEM examination of the nanowire and helps to establish the reliable structure-property relations. Our study calls attention to researchers to be extremely careful when studying nanowires with potential planar defects by TEM. Understanding the true nature of planar defects is essential in tuning the properties of these nanostructures through manipulating their structures.

Interaction of divalent cations with basal planes and edge surfaces of phyllosilicate minerals: muscovite and talc.

PubMed

Yan, Lujie; Masliyah, Jacob H; Xu, Zhenghe

2013-08-15

Smooth basal plane and edge surfaces of two platy phyllosilicate minerals (muscovite and talc) were prepared successfully to allow accurate colloidal force measurement using an atomic force microscope (AFM), which allowed us to probe independently interactions of divalent cations with phyllosilicate basal planes and edge surfaces. The Stern potential of basal planes and edge surfaces was obtained by fitting the measured force profiles with the classical DLVO theory. The fitted Stern potential of the muscovite basal plane became less negative with increasing Ca(2+) or Mg(2+) concentration but did not reverse its sign even at Ca(2+) or Mg(2+) concentrations up to 5 mM. In contrast, the Stern potential of the muscovite edge surface reversed at Ca(2+) or Mg(2+) concentrations as low as 0.1 mM. The Stern potential of the talc basal plane became less negative with 0.1 mM Ca(2+) addition and nearly zero with 1 mM Ca(2+) addition. The Stern potential of talc edge surface became reversed with 0.1 mM Ca(2+) or 1 mM Mg(2+) addition, showing not only a different binding mechanism of talc basal planes and edge surfaces with Ca(2+) and Mg(2+), but also different binding mechanism between Ca(2+) and Mg(2+) ions with basal planes and edge surfaces. Copyright © 2013 Elsevier Inc. All rights reserved.

Fluid pathways from mantle wedge up to forearc seafloor in the coseismic slip area of the 2011 Tohoku earthquake

NASA Astrophysics Data System (ADS)

Park, J. O.; Tsuru, T.; Fujie, G.; Kagoshima, T.; Sano, Y.

2017-12-01

A lot of fluids at subduction zones are exchanged between the solid Earth and ocean, affecting the earthquake and tsunami generation. New multi-channel seismic reflection and sub-bottom profiling data reveal normal and reverse faults as the fluid pathways in the coseismic slip area of the 2011 Tohoku earthquake (M9.0). Based on seismic reflection characteristics and helium isotope anomalies, we recognize variations in fluid pathways (i.e., faults) from the mantle wedge up to forearc seafloor in the Japan Trench margin. Some fluids are migrated from the mantle wedge along plate interface and then normal or reverse faults cutting through the overriding plate. Others from the mantle wedge are migrated directly up to seafloor along normal faults, without passing through the plate interface. Locations of the normal faults are roughly consistent with aftershocks of the 2011 Tohoku earthquake, which show focal mechanism of normal faulting. It is noticeable that landward-dipping normal faults developing down into Unit C (Cretaceous basement) from seafloor are dominant in the middle slope region where basal erosion is inferred to be most active. A high-amplitude, reverse-polarity reflection of the normal faults within Unit C suggests that the fluids are locally trapped along the faults in high pore pressures. The 2011 Tohoku mainshock and subsequent aftershocks could lead the pre-existing normal faults to be reactive and more porous so that the trapped fluids are easily transported up to seafloor through the faults. Elevated fluid pressures can decrease the effective normal stress for the fault plane, allowing easier slip of the landward-dipping normal fault and also enhancing its tsunamigenic potential.

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.

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

Ion Beam Assisted Deposition of Thin Epitaxial GaN Films.

PubMed

Rauschenbach, Bernd; Lotnyk, Andriy; Neumann, Lena; Poppitz, David; Gerlach, Jürgen W

2017-06-23

The assistance of thin film deposition with low-energy ion bombardment influences their final properties significantly. Especially, the application of so-called hyperthermal ions (energy <100 eV) is capable to modify the characteristics of the growing film without generating a large number of irradiation induced defects. The nitrogen ion beam assisted molecular beam epitaxy (ion energy <25 eV) is used to deposit GaN thin films on (0001)-oriented 6H-SiC substrates at 700 °C. The films are studied in situ by reflection high energy electron diffraction, ex situ by X-ray diffraction, scanning tunnelling microscopy, and high-resolution transmission electron microscopy. It is demonstrated that the film growth mode can be controlled by varying the ion to atom ratio, where 2D films are characterized by a smooth topography, a high crystalline quality, low biaxial stress, and low defect density. Typical structural defects in the GaN thin films were identified as basal plane stacking faults, low-angle grain boundaries forming between w-GaN and z-GaN and twin boundaries. The misfit strain between the GaN thin films and substrates is relieved by the generation of edge dislocations in the first and second monolayers of GaN thin films and of misfit interfacial dislocations. It can be demonstrated that the low-energy nitrogen ion assisted molecular beam epitaxy is a technique to produce thin GaN films of high crystalline quality.

Effect of Ag doping on the structural, electrical and optical properties of ZnO grown by MOCVD at different substrate temperatures

NASA Astrophysics Data System (ADS)

Ievtushenko, A.; Karpyna, V.; Eriksson, J.; Tsiaoussis, I.; Shtepliuk, I.; Lashkarev, G.; Yakimova, R.; Khranovskyy, V.

2018-05-01

ZnO films and nanostructures were deposited on Si substrates by MOCVD using single source solid state zinc acetylacetonate (Zn(AA)) precursor. Doping by silver was realized in-situ via adding 1 and 10 wt. % of Ag acetylacetonate (Ag(AA)) to zinc precursor. Influence of Ag on the microstructure, electrical and optical properties of ZnO at temperature range 220-550 °C was studied by scanning, transmission electron and Kelvin probe force microscopy, photoluminescence and four-point probe electrical measurements. Ag doping affects the ZnO microstructure via changing the nucleation mode into heterogeneous and thus transforming the polycrystalline films into a matrix of highly c-axis textured hexagonally faceted nanorods. Increase of the work function value from 4.45 to 4.75 eV was observed with Ag content increase, which is attributed to Ag behaviour as a donor impurity. It was observed, that near-band edge emission of ZnO NS was enhanced with Ag doping as a result of quenching deep-level emission. Upon high doping of ZnO by Ag it tends to promote the formation of basal plane stacking faults defect, as it was observed by HR TEM and PL study in the case of 10 wt.% of Ag. Based on the results obtained, it is suggested that NS deposition at lower temperatures (220-300 °C) is more favorable for p-type doping of ZnO.

Inversion domain boundaries in ZnO with additions of Fe2O3 studied by high-resolution ADF imaging.

PubMed

Wolf, Frank; Freitag, Bert H; Mader, Werner

2007-01-01

Columns of metal atoms in the polytypoid compound Fe2O3(ZnO)15 could be resolved by high angle annular dark field imaging in a transmission electron microscopy (TEM)/STEM electron microscope--a result which could not be realized by high-resolution bright field imaging due to inherent strain from inversion domains and inversion domain boundaries (IDBs) in the crystals. The basal plane IDB was imaged in [11 00] yielding the spacing of the two adjacent ZnO domains, while imaging in [21 1 0] yields the position of single metal ions. The images allow the construction of the entire domain structure including the stacking sequence and positions of the oxygen ions. The IDB consists of a single layer of octahedrally co-ordinated Fe3+ ions, and the inverted ZnO domains are related by point symmetry at the iron position. The FeO6 octahedrons are compressed along the ZnO c-axis resulting in a FeO bond length of 0.208 nm which is in the range of FeO distances in iron containing oxides. The model of the basal plane boundary resembles that of the IDB in polytypoid ZnO-In2O3 compounds.

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.

Aseismic deformation of a fold-and-thrust belt imaged by SAR interferometry near Shahdad, southeast Iran

NASA Technical Reports Server (NTRS)

Fielding, Eric J.; Wright, Tim J.; Muller, Jordan; Parsons, Barry E.; Walker, Richard

2004-01-01

At depth, many fold-and-thrust belts are composed of a gently dipping, basal thrust fault and steeply dipping, shallower splay faults that terminate beneath folds at the surface. Movement on these buried faults is difficult to observe, but synthetic aperture radar (SAR) interferometry has imaged slip on at least 600 square kilometers of the Shahdad basal-thrust and splay-fault network in southeast Iran.

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.

A bottom-driven mechanism for distributed faulting in the Gulf of California rift

NASA Astrophysics Data System (ADS)

Persaud, Patricia; Tan, Eh; Contreras, Juan; Lavier, Luc

2017-11-01

Observations of active faulting in the continent-ocean transition of the Northern Gulf of California show multiple oblique-slip faults distributed in a 200 × 70 km2 area developed some time after a westward relocation of the plate boundary at 2 Ma. In contrast, north and south of this broad pull-apart structure, major transform faults accommodate Pacific-North America plate motion. Here we propose that the mechanism for distributed brittle deformation results from the boundary conditions present in the Northern Gulf, where basal shear is distributed between the Cerro Prieto strike-slip fault (southernmost fault of the San Andreas fault system) and the Ballenas Transform Fault. We hypothesize that in oblique-extensional settings whether deformation is partitioned in a few dip-slip and strike-slip faults, or in numerous oblique-slip faults may depend on (1) bottom-driven, distributed extension and shear deformation of the lower crust or upper mantle, and (2) the rift obliquity. To test this idea, we explore the effects of bottom-driven shear on the deformation of a brittle elastic-plastic layer with the help of pseudo-three dimensional numerical models that include side forces. Strain localization results when the basal shear abruptly increases in a step-function manner while oblique-slip on numerous faults dominates when basal shear is distributed. We further explore how the style of faulting varies with obliquity and demonstrate that the style of delocalized faulting observed in the Northern Gulf of California is reproduced in models with an obliquity of 0.7 and distributed basal shear boundary conditions, consistent with the interpreted obliquity and boundary conditions of the study area.

Creation of nanosized holes in graphene planes for improvement of rate capability of lithium-ion batteries

NASA Astrophysics Data System (ADS)

Bulusheva, L. G.; Stolyarova, S. G.; Chuvilin, A. L.; Shubin, Yu V.; Asanov, I. P.; Sorokin, A. M.; Mel'gunov, M. S.; Zhang, Su; Dong, Yue; Chen, Xiaohong; Song, Huaihe; Okotrub, A. V.

2018-04-01

Holes with an average size of 2-5 nm have been created in graphene layers by heating of graphite oxide (GO) in concentrated sulfuric acid followed by annealing in an argon flow. The hot mineral acid acts simultaneously as a defunctionalizing and etching agent, removing a part of oxygen-containing groups and lattice carbon atoms from the layers. Annealing of the holey reduced GO at 800 °C-1000 °C causes a decrease of the content of residual oxygen and the interlayer spacing thus producing thin compact stacks from holey graphene layers. Electrochemical tests of the obtained materials in half-cells showed that the removal of oxygen and creation of basal holes lowers the capacity loss in the first cycle and facilitates intercalation-deintercalation of lithium ions. This was attributed to minimization of electrolyte decomposition reactions, easier desolvation of lithium ions near the hole boundaries and appearance of multiple entrances for the naked ions into graphene stacks.

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.

First-principles calculations on slip system activation in the rock salt structure: electronic origin of ductility in silver chloride

NASA Astrophysics Data System (ADS)

Nakamura, Atsutomo; Ukita, Masaya; Shimoda, Naofumi; Furushima, Yuho; Toyoura, Kazuaki; Matsunaga, Katsuyuki

2017-06-01

First principles calculations were performed to understand an electronic origin of high ductility in silver chloride (AgCl) with the rock salt structure. From calculations of generalised stacking fault energies for different slip systems, it was found that only the {1 1 0}? slip system is favourably activated in sodium chloride (NaCl) with the same rock salt structure, whereas AgCl shows three kinds of possible slip systems along the ? direction on the {0 0 1}, {1 1 0}, and {1 1 1} planes, which is in excellent agreement with experiment. Detailed analyses of the electronic structures across slip planes showed that the more covalent character of bonding of Ag-Cl than Na-Cl tends to make the slip motion energetically favourable. It was also surprising to find out that strong Ag-Ag covalent bonds across the slip plane are formed in the {0 0 1}〈1 1 0〉 slip system in AgCl, which makes it possible to activate the multiple slip systems in AgCl.

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.

Pristine Basal- and Edge-Plane-Oriented Molybdenite MoS2 Exhibiting Highly Anisotropic Properties.

PubMed

Tan, Shu Min; Ambrosi, Adriano; Sofer, Zdenĕk; Huber, Štěpán; Sedmidubský, David; Pumera, Martin

2015-05-04

The layered structure of molybdenum disulfide (MoS2 ) is structurally similar to that of graphite, with individual sheets strongly covalently bonded within but held together through weak van der Waals interactions. This results in two distinct surfaces of MoS2 : basal and edge planes. The edge plane was theoretically predicted to be more electroactive than the basal plane, but evidence from direct experimental comparison is elusive. Herein, the first study comparing the two surfaces of MoS2 by using macroscopic crystals is presented. A careful investigation of the electrochemical properties of macroscopic MoS2 pristine crystals with precise control over the exposure of one plane surface, that is, basal plane or edge plane, was performed. These crystals were characterized thoroughly by AFM, Raman spectroscopy, X-ray photoelectron spectroscopy, voltammetry, digital simulation, and DFT calculations. In the Raman spectra, the basal and edge planes show anisotropy in the preferred excitation of E2g and A1g phonon modes, respectively. The edge plane exhibits a much larger heterogeneous electron transfer rate constant k(0) of 4.96×10(-5) and 1.1×10(-3)  cm s(-1) for [Fe(CN)6 ](3-/4-) and [Ru(NH3 )6 ](3+/2+) redox probes, respectively, compared to the basal plane, which yielded k(0) tending towards zero for [Fe(CN)6 ](3-/4-) and about 9.3×10(-4)  cm s(-1) for [Ru(NH3 )6 ](3+/2+) . The industrially important hydrogen evolution reaction follows the trend observed for [Fe(CN)6 ](3-/4-) in that the basal plane is basically inactive. The experimental comparison of the edge and basal planes of MoS2 crystals is supported by DFT calculations. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.

Crystallographic tilt and in-plane anisotropies of an a-plane InGaN/GaN layered structure grown by MOCVD on r-plane sapphire using a ZnO buffer

NASA Astrophysics Data System (ADS)

Liu, H. F.; Liu, W.; Guo, S.; Chi, D. Z.

2016-03-01

High-resolution x-ray diffraction (HRXRD) was used to investigate the crystallographic tilts and structural anisotropies in epitaxial nonpolar a-plane InGaN/GaN grown by metal-organic chemical vapor deposition on r-plane sapphire using a ZnO buffer. The substrate had an unintentional miscut of 0.14° towards its [-4 2 2 3] axis. However, HRXRD revealed a tilt of 0.26° (0.20°) between the ZnO (GaN) (11-20) and the Al2O3 (1-102) atomic planes, with the (11-20) axis of ZnO (GaN) tilted towards its c-axis, which has a difference of 163° in azimuth from that of the substrate’s miscut. Excess broadenings in the GaN/ZnO (11-20) rocking curves (RCs) were observed along its c-axis. Specific analyses revealed that partial dislocations and anisotropic in-plane strains, rather than surface-related effects, wafer curvature or stacking faults, are the dominant factors for the structural anisotropy. The orientation of the partial dislocations is most likely affected by the miscut of the substrate, e.g. via tilting of the misfit dislocation gliding planes created during island coalescences. Their Burgers vector components in the growth direction, in turn, gave rise to crystallographic tilts in the same direction as that of the excess RC-broadenings.

Thermodynamic and critical properties of an antiferromagnetically stacked triangular Ising antiferromagnet in a field

NASA Astrophysics Data System (ADS)

Žukovič, M.; Borovský, M.; Bobák, A.

2018-05-01

We study a stacked triangular lattice Ising model with both intra- and inter-plane antiferromagnetic interactions in a field, by Monte Carlo simulation. We find only one phase transition from a paramagnetic to a partially disordered phase, which is of second order and 3D XY universality class. At low temperatures we identify two highly degenerate phases: at smaller (larger) fields the system shows long-range ordering in the stacking direction (within planes) but not in the planes (stacking direction). Nevertheless, crossovers to these phases do not have a character of conventional phase transitions but rather linear-chain-like excitations.

Elevation changes

USGS Publications Warehouse

Jayko, A. S.; Marshall, G.A.; Carver, G.A.

1992-01-01

Elevation changes, as well as horizontal displacements of the Earth's surface, are an expected consequence of dip-slip displacement on earthquake faults. the rock surrounding and overlying the fault is forced to stretch and bend to accommodate fault slip. Slip in the case of the April 25 mainshock is thought to have occurred on a gently inclined plane dipping to the northeast at a small angle (see article on preliminary seismological results in this issue).The associated fault-plane solution implies that rock overlying the fault plane (the hanging-wall block west and south of the epicenter) rose and shifted to the northeast. The map on the next page shows the location of the epicenter and approximate extent of uplift and subsidence derived from estimates of the geometry, location. and slip on the buried fault plane. 

A novel form of epithelial wound healing of the embryonic epidermis.

PubMed

Armstrong, Margaret T; Turlo, Kirsten; Elges, Chris J; Dayton, Sarah M; Lee, Janet; Armstrong, Peter B

2006-08-01

The embryonic epidermis of amniotes is a two-cell layer sheet with a periderm positioned superficial to the basal cell layer which, itself, attaches apically to the basal surface of the periderm and basally to the basal lamina. The presence of the periderm is essential to maintain the basal layer as a two-dimensional monolayer. Wounds to the epidermis that remove selectively just the periderm are healed by a stacking of the basal layer cells that constitute the wound bed. Basal cell stacking involves the desertion of the basal lamina by many of the cells so as to increase their contact area with other basal layer cells. This suggests that a preferential adhesion to the planar basal lamina is not important for the monolayered organization of the basal layer but, instead, association with inner surface of the planar periderm is the principal process that maintains the basal layer as a monolayer. The conversion of the basal layer from monolayer to multilayer during wound healing diminishes its planar area, resulting in movement of the wound borders toward the center of the wound. This is a novel scenario for wound healing.

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.

Constraints on upper plate deformation in the Nicaraguan subduction zone from earthquake relocation and directivity analysis

NASA Astrophysics Data System (ADS)

French, S. W.; Warren, L. M.; Fischer, K. M.; Abers, G. A.; Strauch, W.; Protti, J. M.; Gonzalez, V.

2010-03-01

In the Nicaraguan segment of the Central American subduction zone, bookshelf faulting has been proposed as the dominant style of Caribbean plate deformation in response to oblique subduction of the Cocos plate. A key element of this model is left-lateral motion on arc-normal strike-slip faults. On 3 August 2005, a Mw 6.3 earthquake and its extensive foreshock and aftershock sequence occurred near Ometepe Island in Lake Nicaragua. To determine the fault plane that ruptured in the main shock, we relocated main shock, foreshock, and aftershock hypocenters and analyzed main shock source directivity using waveforms from the TUCAN Broadband Seismic Experiment. The relocation analysis was carried out by applying the hypoDD double-difference method to P and S onset times and differential traveltimes for event pairs determined by waveform cross correlation. The relocated hypocenters define a roughly vertical plane of seismicity with an N60°E strike. This plane aligns with one of the two nodal planes of the main shock source mechanism. The directivity analysis was based on waveforms from 16 TUCAN stations and indicates that rupture on the N60°E striking main shock nodal plane provides the best fit to the data. The relocation and directivity analyses identify the N60°E vertical nodal plane as the main shock fault plane, consistent with the style of faulting required by the bookshelf model. Relocated hypocenters also define a second fault plane that lies to the south of the main shock fault plane with a strike of N350°E-N355°E. This fault plane became seismically active 5 h after the main shock, suggesting the influence of stresses transferred from the main shock fault plane. The August 2005 earthquake sequence was preceded by a small eruption of a nearby volcano, Concepción, on 28 July 2005. However, the local seismicity does not provide evidence for earthquake triggering of the eruption or eruption triggering of the main shock through crustal stress transfer.

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.

Earthquake stress drops, ambient tectonic stresses and stresses that drive plate motions

USGS Publications Warehouse

Hanks, T.C.

1977-01-01

A variety of geophysical observations suggests that the upper portion of the lithosphere, herein referred to as the elastic plate, has long-term material properties and frictional strength significantly greater than the lower lithosphere. If the average frictional stress along the non-ridge margin of the elastic plate is of the order of a kilobar, as suggested by the many observations of the frictional strength of rocks at mid-crustal conditions of pressure and temperature, the only viable mechanism for driving the motion of the elastic plate is a basal shear stress of several tens of bars. Kilobars of tectonic stress are then an ambient, steady condition of the earth's crust and uppermost mantle. The approximate equality of the basal shear stress and the average crustal earthquake stress drop, the localization of strain release for major plate margin earthquakes, and the rough equivalence of plate margin slip rates and gross plate motion rates suggest that the stress drops of major plate margin earthquakes are controlled by the elastic release of the basal shear stress in the vicinity of the plate margin, despite the existence of kilobars of tectonic stress existing across vertical planes parallel to the plate margin. If the stress differences available to be released at the time of faulting are distributed in a random, white fasbion with a mean-square value determined by the average earthquake stress drop, the frequency of occurrence of constant stress drop earthquakes will be proportional to reciprocal faulting area, in accordance with empirically known frequency of occurrence statistics. ?? 1977 Birkha??user Verlag.

Solute softening and defect generation during prismatic slip in magnesium alloys

NASA Astrophysics Data System (ADS)

Yi, Peng; Cammarata, Robert C.; Falk, Michael L.

2017-12-01

Temperature and solute effects on prismatic slip of 〈a〉 dislocations in Mg are studied using molecular dynamics simulation. Prismatic slip is controlled by the low mobility screw dislocation. The screw dislocation glides on the prismatic plane through alternating cross-slip between the basal plane and the prismatic plane. In doing so, it exhibits a locking-unlocking mechanism at low temperatures and a more continuous wavy propagation at high temperatures. The dislocation dissociates into partials on the basal plane and the constriction formation of the partials is identified to be the rate-limiting process for unlocking. In addition, the diffusion of partials on the basal plane enables the formation of jogs and superjogs for prismatic slip, which lead to the generation of vacancies and dislocation loops. Solute softening in Mg alloys was observed in the presence of both Al and Y solute. The softening in prismatic slip is found to be due to solute pinning on the basal plane, instead of the relative energy change of the screw dislocation on the basal and prismatic planes, as has been hypothesized.

Electronic and total energy properties of ternary and quaternary semiconductor compounds, alloys, and superlattices: Theoretical study of Cu/graphite bonding

NASA Technical Reports Server (NTRS)

Lambrecht, Walter R. L.

1992-01-01

The goals of the research were to provide a fundamental science basis for why the bonding of Cu to graphite is weak, to critically evaluate the previous analysis of the wetting studies with particular regard to the values used for the surface energies of Cu and graphite, and to make recommendations for future experiments or other studies which could advance the understanding and solution of this technological problem. First principles electronic structure calculations were used to study the problem. These are based on density functional theory in the local density approximation and the use of the linear muffin-tin orbital band structure method. Calculations were performed for graphite monolayers, single crystal graphite with the hexagonal AB stacking, bulk Cu, Cu(111) surface, and Cu/graphite superlattices. The study is limited to the basal plane of graphite because this is the graphite plane exposed to Cu and graphite surface energies and combined with the measured contact angles to evaluate the experimental adhesion energy.

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.

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.

Effects induced by an earthquake on its fault plane:a boundary element study

NASA Astrophysics Data System (ADS)

Bonafede, Maurizio; Neri, Andrea

2000-04-01

Mechanical effects left by a model earthquake on its fault plane, in the post-seismic phase, are investigated employing the `displacement discontinuity method'. Simple crack models, characterized by the release of a constant, unidirectional shear traction are investigated first. Both slip components-parallel and normal to the traction direction-are found to be non-vanishing and to depend on fault depth, dip, aspect ratio and fault plane geometry. The rake of the slip vector is similarly found to depend on depth and dip. The fault plane is found to suffer some small rotation and bending, which may be responsible for the indentation of a transform tectonic margin, particularly if cumulative effects are considered. Very significant normal stress components are left over the shallow portion of the fault surface after an earthquake: these are tensile for thrust faults, compressive for normal faults and are typically comparable in size to the stress drop. These normal stresses can easily be computed for more realistic seismic source models, in which a variable slip is assigned; normal stresses are induced in these cases too, and positive shear stresses may even be induced on the fault plane in regions of high slip gradient. Several observations can be explained from the present model: low-dip thrust faults and high-dip normal faults are found to be facilitated, according to the Coulomb failure criterion, in repetitive earthquake cycles; the shape of dip-slip faults near the surface is predicted to be upward-concave; and the shallower aftershock activity generally found in the hanging block of a thrust event can be explained by `unclamping' mechanisms.

Large-scale deformational systems in the South Polar Layered Deposits (Promethei Lingula, Mars): "Soft-sediment" and Deep-Seated Gravitational Slope Deformations Mechanisms

NASA Astrophysics Data System (ADS)

Guallini, Luca; Brozzetti, Francesco; Marinangeli, Lucia

2012-08-01

The present study is the first attempt at a detailed structural and kinematic analysis of large-scale deformational systems observed in the South Polar Layered Deposits (SPLDs) in the Promethei Lingula (PL) margins (Mars). By systematically collecting attitude data referable to previously unknown deformational structures and defining the cross-cut relationships of the structures, we reconstructed a deformational history consisting of two superimposed, well-defined stages. The first stage is dominated by large-scale strike-slip and transtensional faults arranged into conjugate systems and delimiting shear zones that show a wide range of subsidiary structures, including normal and reverse faults, drag folds, boudins, S-C tectonites and sub-horizontal interstratal shear planes marked by sygmoidal boudins. Other typical structures referable to this event are ductile folds (locally true convolute folds) and lobes (ball-and-pillow structures) affecting certain marker beds of the succession. We suggest that the structural assemblage might be the expression of a shallow soft-sediment tectonics that possibly occurred during warm periods of the South Pole climate. The second stage seems to affect the weaker and in certain cases pre-deformed stratigraphic levels of the SPLD succession. This stage is mainly characterized by extensional deformations caused by gravity. The consequence of the deformations is the nucleation of Deep-Seated Gravitational Slope Deformations (DSGSDs) marked by typical morphostructures, such as scarps, trenches and bulging basal contractant zones. These phenomena were never observed within an ice cap. According to terrestrial modeling, these slow collapses were caused by (1) the presence of detachment levels (i.e., subhorizontal bedding planes) along which the ice-sheet margins can slide and (2) the development of listric faults within the glacial mass, which merge with sub-horizontal shear planes in the subsurface. The presence of complex deformational systems in the SPLD necessarily implies that a large-scale dynamics of the ice-sheet occurred in the past. The relatively fast internal creep and basal/internal sliding, inferable from the structure assemblage, can be due to partial melting of the ice possibly caused by climatic changes in the Promethei Lingula region. In this manner, we believe that climate heating (which, according to the literature, is likely caused by orbital variations) softened some of the SPLD layers, triggering or accelerating the ice sheet's outward movement. The evidence of a marked disharmonic deformational style through the SPLD succession suggests the possibility of local periodic compositional variations in the sequence.

Selective area growth and characterization of GaN nanocolumns, with and without an InGaN insertion, on semi-polar (11–22) GaN templates

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

Bengoechea-Encabo, A.; Albert, S.; Barbagini, F.

The aim of this work is the selective area growth (SAG) of GaN nanocolumns, with and without an InGaN insertion, by molecular beam epitaxyon semi-polar (11–22) GaN templates. The high density of stacking faults present in the template is strongly reduced after SAG. A dominant sharp photoluminescence emission at 3.473 eV points to high quality strain-free material. When embedding an InGaN insertion into the ordered GaN nanostructures, very homogeneous optical properties are observed, with two emissions originating from different regions of each nanostructure, most likely related to different In contents on different crystallographic planes.

Capping of rare earth silicide nanowires on Si(001)

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

Appelfeller, Stephan; Franz, Martin; Kubicki, Milan

The capping of Tb and Dy silicide nanowires grown on Si(001) was studied using scanning tunneling microscopy and cross-sectional high-resolution transmission electron microscopy. Several nanometers thick amorphous Si films deposited at room temperature allow an even capping, while the nanowires maintain their original structural properties. Subsequent recrystallization by thermal annealing leads to more compact nanowire structures and to troughs in the Si layer above the nanowires, which may even reach down to the nanowires in the case of thin Si films, as well as to V-shaped stacking faults forming along (111) lattice planes. This behavior is related to strain duemore » to the lattice mismatch between the Si overlayer and the nanowires.« less

Depth resolved investigations of boron implanted silicon

NASA Astrophysics Data System (ADS)

Sztucki, M.; Metzger, T. H.; Milita, S.; Berberich, F.; Schell, N.; Rouvière, J. L.; Patel, J.

2003-01-01

We have studied the depth distribution and structure of defects in boron implanted silicon (0 0 1). Silicon wafers were implanted with a boron dose of 6×10 15 ions/cm -2 at 32 keV and went through different annealing treatments. Using diffuse X-ray scattering at grazing incidence and exit angles we are able to distinguish between different kinds of defects (point defect clusters and extrinsic stacking faults on {1 1 1} planes) and to determine their depth distribution as a function of the thermal budget. Cross-section transmission electron microscopy was used to gain complementary information. In addition we have determined the strain distribution caused by the boron implantation as a function of depth from rocking curve measurements.

Face-on stacking and enhanced out-of-plane hole mobility in graphene-templated copper phthalocyanine.

PubMed

Mativetsky, Jeffrey M; Wang, He; Lee, Stephanie S; Whittaker-Brooks, Luisa; Loo, Yueh-Lin

2014-05-25

Efficient out-of-plane charge transport is required in vertical device architectures, such as organic solar cells and organic light emitting diodes. Here, we show that graphene, transferred onto different technologically-relevant substrates, can be used to induce face-on molecular stacking and improve out-of-plane hole transport in copper phthalocyanine thin films.

Structural development of an Archean Orogen, Western Point Lake, Northwest Territories

NASA Astrophysics Data System (ADS)

Kusky, Timothy M.

1991-08-01

The Point Lake orogen in the central Archean Slave Province of northwestern Canada preserves more than 10 km of structural relief through an eroded antiformal thrust stack and deeper anastomosing midcrustal mylonites. Fault restoration along a 25 km long transect requires a minimum of 69 km slip and 53 km horizontal shortening. In the western part of the orogen the basal decollement places mafic plutonic/volcanic rocks over an ancient tonalitic gneiss complex. Ten kilometers to the east in the Keskarrah Bay area, slices of gneiss unroofed on brittle thrusts shed molasse into several submerged basins. Conglomerates and associated thinly bedded sedimentary rocks are interpreted as channel, levee, and overbank facies of this thrust-related sedimentary fan system. The synorogenic erosion surface at the base of the conglomerate truncates premetamorphic or early metamorphic thrust faults formed during foreland propagation, while other thrusts related to hinterland-progressing imbrication displace this unconformity. Tightening of synorogenic depositional troughs resulted in the conglomerates' present localization in synclines to the west of associated thrust faults and steepening of structural dips. Eastern parts of the orogen consist of isoclinally folded graywackes composed largely of Mutti and Ricci-Lucchi turbidite facies B, C, and D, interpreted as submarine fan deposits eroded from a distant volcanic arc. Thrust faults in the metasedimentary terrane include highly disrupted slate horizons with meter-scale duplex structures, and recrystallized calcmylonites exhibiting sheath folds and boudin trains with very large interboudin distances. The sequence of fabric development and the overall geometry of this metasedimentary terrane strongly resembles younger forearc accretionary prisms. Conditions of deformation along the thrusts parallel the regional metamorphic zonation: amphibolite facies in the basal decollement through greenschist facies shear zones to cataclastic crush zones in the region of emergent thrusts in Keskarrah Bay. Depth differences can account for only half of the metamorphic gradient; thermal profiles which increased downwards in obducted greenstone belts and synthrusting plutonism explains other high metamorphic gradients. A tectonic model involving the collision of an accretionary prism with a continental margin best explains the structural and sedimentological evolution of the orogen.

Clast-fabric development in a shearing granular material: Implications for subglacial till and fault gouge

USGS Publications Warehouse

Hooyer, T.S.; Iverson, N.R.

2000-01-01

Elongate clasts in subglacial till and in fault gouge align during shearing, but the relation between clast-fabric strength and cumulative shear strain for such materials is effectively unknown. This relation was explored in experiments with a large ring-shear device in which a till and a viscous putty that contained isolated clasts were sheared to high strains. As expected, rotation of clasts in the putty is closely approximated by the theory of G.B. Jeffrey, who derived the orbits of rigid ellipsoids in a slowly shearing fluid. Clast rotation in the till, however, is strikingly different. Rather than orbiting through the shear plane as predicted by Jeffery, most clasts rotate into the shear plane and remain there, resulting in strong fabrics regardless of the aspect ratios and initial orientations of clasts. This divergent behavior is likely due to slip of the till matrix along the surfaces of clasts, which is a natural expectation in a granular material but violates the no-slip condition of Jeffery's model. These results do not support the widespread belief that subglacial till deformation results in weak clast fabrics. Thus, many tills with weak fabrics thought to have been sheared subglacially to high strains, like many basal tills of the Laurentide Ice Sheet, may have been sheared only slightly with little effect on either ice-sheet dynamics or sediment transport. In addition, these results indicate that in simple shear the rotation of clasts in till and in fault gouge is best analyzed with the model of A. March, who treated inclusions as passive markers.

Effects of neutron irradiation of Ti3SiC2 and Ti3AlC2 in the 121-1085 °C temperature range

NASA Astrophysics Data System (ADS)

Tallman, Darin J.; He, Lingfeng; Gan, Jian; Caspi, El'ad N.; Hoffman, Elizabeth N.; Barsoum, Michel W.

2017-02-01

Herein we report on the formation of defects in response to neutron irradiation of polycrystalline Ti3SiC2 and Ti3AlC2 samples exposed to total fluences of ≈6 × 1020 n/m2, 5 × 1021 n/m2 and 1.7 × 1022 n/m2 at irradiation temperatures of 121(12), 735(6) and 1085(68)°C. These fluences correspond to 0.14, 1.6 and 3.4 dpa, respectively. After irradiation to 0.14 dpa at 121 °C and 735 °C, black spots are observed via transmission electron microscopy in both Ti3SiC2 and Ti3AlC2. 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 Ti3SiC2, with loop diameters of 21(6) and 30(8) nm after 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. Cavities were observed at grain boundaries and within stacking faults after 3.4 dpa irradiation, with extensive cavity formation in the TiC regions at 1085 °C. Remarkably, denuded zones on the order of 1 μm are observed in Ti3SiC2 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 results shown herein confirm once again that the presence of the A-layers in the MAX phases considerably enhance their irradiation tolerance. Based on these results, and up to 3.4 dpa, Ti3SiC2 remains a promising candidate for high temperature nuclear applications as long as the temperature remains >700 °C.

Contemporary Tectonics of China

DTIC Science & Technology

1978-02-01

that it would be of value to the United States to understand seismicity in China because their methods used in predicting large intraplate seismic...ability to discriminate between natural events and nuclear explosions. General Method In order to circumvent the limitations placed on studies of...accurate relative locations. Fault planes maybe determined with this method , thereby removing the ambiguity of the choice of fault plane from a fault plane

Probing adsorption of polyacrylamide-based polymers on anisotropic Basal planes of kaolinite using quartz crystal microbalance.

PubMed

Alagha, Lana; Wang, Shengqun; Yan, Lujie; Xu, Zhenghe; Masliyah, Jacob

2013-03-26

Quartz crystal microbalance with dissipation (QCM-D) was applied to investigate the adsorption characteristics of polyacrylamide-based polymers (PAMs) on anisotropic basal planes of kaolinite. Kaolinite basal planes were differentiated by depositing kaolinite nanoparticles (KNPs) on silica and alumina sensors in solutions of controlled pH values. Adsorption of an in-house synthesized organic-inorganic Al(OH)3-PAM (Al-PAM) as an example of cationic hybrid PAM and a commercially available partially hydrolyzed polyacrylamide (MF1011) as an example of anionic PAM was studied. Cationic Al-PAM was found to adsorb irreversibly and preferentially on tetrahedral silica basal planes of kaolinite. In contrast, anionic MF1011 adsorbed strongly on aluminum-hydroxy basal planes, while its adsorption on tetrahedral silica basal planes was weak and reversible. Adsorption study revealed that both electrostatic attraction and hydrogen-bonding mechanisms contribute to adsorption of PAMs on kaolinite. The adsorbed Al-PAM layer was able to release trapped water overtime and became more compact, while MF1011 film became more dissipative as backbones stretched out from kaolinite surface with minimal overlapping. Experimental results obtained from this study provide clear insights into the phenomenon that governs flocculation-based solid-liquid separation processes using multicomponent flocculants of anionic and cationic nature.

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.

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.

HiRISE Observations of the Polar Regions of Mars

NASA Astrophysics Data System (ADS)

Herkenhoff, K. E.; Byrne, S.; Fishbaugh, K.; Russell, P.; Fortezzo, C.; McEwen, A.

2008-12-01

Digital elevation models (DEMs) derived from MRO HiRISE stereo images allow meter-scale topographic measurements in the north polar layered deposits (NPLD) and distinction of slope vs. albedo effects on apparent brightness of individual layers. HiRISE images do not show thin layers at the limit of resolution. Rather, fine layering, if it exists, appears to have been obscured by a more dust-rich mantling deposit which shows signs of eolian erosion and slumping. Stratigraphic sequences within the NPLD appear to be repeated within exposures observed by HiRISE, indicative of a record of periodic climate changes. Granular flows sourced from within the dark, basal unit are suggestive of, but do not require, the presence of water during their formation. Active mass wasting of frost and dust has been observed on steep NPLD scarps in early spring, similar to dry, loose snow avalanches on terrestrial slopes. Bright and dark streaks are seen to evolve during the northern summer, evidence for active eolian redistribution of frost and perhaps dark (non- volatile) material. Relatively dark reddish patches observed within the north polar residual cap during the summer indicate that the cap is very thin (<1 m) or more transparent in places. HiRISE images of exposures of the south polar layered deposits (SPLD) show rectilinear fractures that are continuous across several layers and whose orientation is not affected by the topography of the exposure, suggesting that they were formed before erosion of the SPLD. They appear to extend laterally and vertically through the SPLD, like a joint set. While NPLD tectonism appears limited to isolated grabens, several faults have been observed by HiRISE in the SPLD, showing structural details including reverse fault splays that merge into bedding planes and possible evidence for thrust duplication. The faults may be the result of basal sliding (decollements) ramping into thrust faults near the margin of the SPLD.

Optimum Number of Anchored Clathrate Water and Its Instantaneous Fluctuations Dictate Ice Plane Recognition Specificities of Insect Antifreeze Protein.

PubMed

Chakraborty, Sandipan; Jana, Biman

2018-03-29

Ice recognition by antifreeze proteins (AFPs) is a subject of topical interest. Among several classes of AFPs, insect AFPs are hyperactive presumably due to their ability to adsorb on basal plane. However, the origin of the basal plane binding specificity is not clearly known. Present work aims to provide atomistic insight into the origin of basal plane recognition by an insect antifreeze protein. Free energy calculations reveal that the order of binding affinity of the AFP toward different ice planes is basal plane > prism plane > pyramidal plane. Critical insight reveals that the observed plane specificity is strongly correlated with the number and their instantaneous fluctuations of clathrate water forming hydrogen bonds with both ice binding surface (IBS) of AFP and ice surface, thus anchoring AFP to the ice surface. On basal plane, anchored clathrate water array is highly stable due to exact match in the periodicity of oxygen atom repeat distances of the ice surface and the threonine repeat distances at the IBS. The stability of anchored clathrate water array progressively decreases upon prism and pyramidal plane adsorption due to mismatch between the threonine ladder and oxygen atom repeat distance. Further analysis reveals that hydration around the methyl side-chains of threonine residues becomes highly significant at low temperature which stabilizes the anchored clathrate water array and dual hydrogen-bonding is a consequence of this stability. Structural insight gained from this study paves the way for rational designing of highly potent antifreeze-mimetic with potential industrial applications.

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.

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.

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.

Use of Terrestrial Laser Scanner for Rigid Airport Pavement Management.

PubMed

Barbarella, Maurizio; D'Amico, Fabrizio; De Blasiis, Maria Rosaria; Di Benedetto, Alessandro; Fiani, Margherita

2017-12-26

The evaluation of the structural efficiency of airport infrastructures is a complex task. Faulting is one of the most important indicators of rigid pavement performance. The aim of our study is to provide a new method for faulting detection and computation on jointed concrete pavements. Nowadays, the assessment of faulting is performed with the use of laborious and time-consuming measurements that strongly hinder aircraft traffic. We proposed a field procedure for Terrestrial Laser Scanner data acquisition and a computation flow chart in order to identify and quantify the fault size at each joint of apron slabs. The total point cloud has been used to compute the least square plane fitting those points. The best-fit plane for each slab has been computed too. The attitude of each slab plane with respect to both the adjacent ones and the apron reference plane has been determined by the normal vectors to the surfaces. Faulting has been evaluated as the difference in elevation between the slab planes along chosen sections. For a more accurate evaluation of the faulting value, we have then considered a few strips of data covering rectangular areas of different sizes across the joints. The accuracy of the estimated quantities has been computed too.

Activating and optimizing MoS 2 basal planes for hydrogen evolution through the formation of strained sulphur vacancies

DOE PAGES

Li, Hong; Tsai, Charlie; Koh, Ai Leen; ...

2015-11-09

As a promising non-precious catalyst for the hydrogen evolution reaction, molybdenum disulphide (MoS 2) is known to contain active edge sites and an inert basal plane. Activating the MoS 2 basal plane could further enhance its HER activity but is not often a strategy for doing so. Herein, we report the first activation and optimization of the basal plane of monolayer 2H-MoS 2 for HER by introducing sulphur (S) vacancies and strain. Our theoretical and experimental results show that the S-vacancies are new catalytic sites in the basal plane, where gap states around the Fermi level allow hydrogen to bindmore » directly to exposed Mo atoms. The hydrogen adsorption free energy (ΔG H) can be further manipulated by straining the surface with S-vacancies, which fine-tunes the catalytic activity. Furthermore, proper combinations of S-vacancy and strain yield the optimal ΔG H = 0 eV, which allows us to achieve the highest intrinsic HER activity among molybdenum-sulphide-based catalysts.« less

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.

Intrinsic luminescence and core structure of freshly introduced a-screw dislocations in n-GaN

NASA Astrophysics Data System (ADS)

Medvedev, O.; Vyvenko, O.; Ubyivovk, E.; Shapenkov, S.; Bondarenko, A.; Saring, P.; Seibt, M.

2018-04-01

Dislocations introduced by the scratching or by the indentation of the basal and prismatic surfaces of low-ohmic unintentionally n-type doped GaN crystals were investigated by means of cathodoluminescence and transmission electron microscopy (TEM). A strong luminescence of straight segments of a-screw dislocations was observed in the temperature range of 70-420 K. The spectrum of dislocation related luminescence (DRL) consisted of a doublet of narrow lines red shifted by about 0.3 eV with respect to the band gap. TEM revealed dissociated character of the screw dislocations and the formation of extended nodes at their intersection. From the analysis of the DRL spectral doublet temperature, power and strain dependences DRL was ascribed to direct and indirect excitons bound by 1D quantum wells formed by partials and stacking fault (SF) ribbon of dissociated screw dislocation.

Atomic force microscopy study on crystal growth of Cu 2+-doped L-arginine phosphate monohydrate crystals

NASA Astrophysics Data System (ADS)

Geng, Y. L.; Xu, D.; Wang, Y. L.; Du, W.; Liu, H. Y.; Zhang, G. H.; Wang, X. Q.; Sun, D. L.

2005-01-01

Sub-steps and defects of the {1 0 0} planes of Cu 2+-doped L-arginine phosphate monohydrate (LAP) crystals are observed by atomic force microscopy. Formation of sub-steps is not due to the stacking faults but a result of single LAP: Cu 2+ molecule acting as growth unit. Two-dimensional (2D) nuclei with the same height as sub-steps occur on the step-edges. Impurities of Cu 2+ ions cause steps bunch and macrosteps formation. Liquid inclusions in the form of long channels form when the macrosteps lose their stability. Numerous small 3D growth hillocks are found in the channels. The extra stress induced by the 3D islands can result in dislocations and steps mismatches.

Tectonic deformation of the Andes and the configuration of the subducted slab in central Peru: Results from a micro-seismic experiment

NASA Technical Reports Server (NTRS)

Suarez, G.; Gagnepain, J. J.; Cisternas, A.; Hatzfeld, D.; Molnar, P.; Ocola, L.; Roecker, S. W.; Viode, J. P.

1983-01-01

The vast majority of the microearthquakes recorded occurred to the east: on the Huaytapallana fault in the Eastern Cordillera or in the western margin of the sub-Andes. The sub-Andes appear to be the physiographic province subjected to the most intense seismic deformation. Focal depths for the crustal events here are as deep as 50 km, and the fault plane solutions, show thrust faulting on steep planes oriented roughly north-south. The Huaytapallana fault in the Cordillera Oriental also shows relatively high seismicity along a northeast-southwest trend that agrees with the fault scarp and the east dipping nodal plane of two large earthquakes that occurred on this fault in 1969. The recorded microearthquakes of intermediate depth show a flat seismic zone about 25 km thick at a depth of about 100 km. This agrees with the suggestion that beneath Peru the slab first dips at an angle of 30 deg to a depth of 100 km and then flattens following a quasi-horizontal trajectory. Fault plane solutions of intermediate depth microearthquakes have horizontal T axes oriented east-west.

Fine structure of the landers fault zone: Segmentation and the rupture process

USGS Publications Warehouse

Li, Y.-G.; Vidale, J.E.; Aki, K.; Marone, C.J.; Lee, W.H.K.

1994-01-01

Observations and modeling of 3- to 6-hertz seismic shear waves trapped within the fault zone of the 1992 Landers earthquake series allow the fine structure and continuity of the zone to be evaluated. The fault, to a depth of at least 12 kilometers, is marked by a zone 100 to 200 meters wide where shear velocity is reduced by 30 to 50 percent. This zone forms a seismic waveguide that extends along the southern 30 kilometers of the Landers rupture surface and ends at the fault bend about 18 kilometers north of the main shock epicenter. Another fault plane waveguide, disconnected from the first, exists along the northern rupture surface. These observations, in conjunction with surface slip, detailed seismicity patterns, and the progression of rupture along the fault, suggest that several simple rupture planes were involved in the Landers earthquake and that the inferred rupture front hesitated or slowed at the location where the rupture jumped from one to the next plane. Reduction in rupture velocity can tentatively be attributed to fault plane complexity, and variations in moment release can be attributed to variations in available energy.

Clastic dikes of Heart Mountain fault breccia, northwestern Wyoming, and their significance

USGS Publications Warehouse

Pierce, W.G.

1979-01-01

Structural features in northwestern Wyoming indicate that the Heart Mountain fault movement was an extremely rapid, cataclysmic event that created a large volume of carbonate fault breccia derived entirely from the lower part of the upper plate. After fault movement had ceased, much of the carbonate fault breccia, here called calcibreccia, lay loose on the resulting surface of tectonic denudation. Before this unconsolidated calcibreccia could be removed by erosion, it was buried beneath a cover of Tertiary volcanic rocks: the Wapiti Formation, composed of volcanic breccia, poorly sorted volcanic breccia mudflows, and lava flows, and clearly shown in many places by inter lensing and intermixing of the calcibreccia with basal volcanic rocks. As the weight of volcanic overburden increased, the unstable water-saturated calcibreccia became mobile and semifluid and was injected upward as dikes into the overlying volcanic rocks and to a lesser extent into rocks of the upper plate. In some places the lowermost part of the volcanic overburden appears to have flowed with the calcibreccia to form dike like bodies of mixed volcanic rock and calcibreccia. One calcibreccia dike even contains carbonized wood, presumably incorporated into unconsolidated calcibreccia on the surface of tectonic denudation and covered by volcanic rocks before moving upward with the dike. Angular xenoliths of Precambrian rocks, enclosed in another calcibreccia dike and in an adjoining dikelike mass of volcanic rock as well, are believed to have been torn from the walls of a vent and incorporated into the basal part of the Wapiti Formation overlying the clastic carbonate rock on the fault surface. Subsequently, some of these xenoliths were incorporated into the calcibreccia during the process of dike intrusion. Throughout the Heart Mountain fault area, the basal part of the upper-plate blocks or masses are brecciated, irrespective of the size of the blocks, more intensely at the base and in places extending upward for several tens of meters. North of Republic Mountain a small 25-m-high upper-plate mass, brecciated to some degree throughout, apparently moved some distance along the Heart Mountain fault as brecciated rock. Calcibreccia dikes intrude upward from the underlying 2 m of fault breccia into the lower part of the mass and also from its top into the overlying volcanic rocks; an earthquake-related mechanism most likely accounts for the observed features of this deformed body. Calcibreccia dikes are more common within the bedding-plane phase of the Heart Mountain fault but also occur in its transgressive and former land-surface phases. Evidence that the Wapiti Formation almost immediately buried loose, unconsolidated fault breccia that was the source of the dike rock strongly suggests a rapid volcanic deposition over the area in which clastic dikes occur, which is at least 75 km long. Clastic dikes were injected into both the upper-plate and the volcanic rocks at about the same time, after movement on the Heart Mouuntain fault had ceased, and therefore do not indicate a fluid-flotation mechanism for the Heart Mountain fault. The difference between contacts of the clastic dikes with both indurated and unconsolidated country rock is useful in field mapping at localities where it is difficult to distinguish between volcanic rocks of the Cathedral Cliffs and Lamar River Formations, and the Wapiti Formation. Thus, calcibreccia dikes in the Cathedral Cliffs and Lamar River Formations show a sharp contact because the country rock solidified prior to fault movement, whereas calcibreccia dikes in the Wapiti Formation in many instances show a transitional or semifluid contact because the country rock was still unconsolidated or semifluid at the time of dike injection.

A bottom-driven mechanism for distributed faulting: Insights from the Gulf of California Rift

NASA Astrophysics Data System (ADS)

Persaud, P.; Tan, E.; Choi, E.; Contreras, J.; Lavier, L. L.

2017-12-01

The Gulf of California is a young oblique rift that displays a variation in rifting style along strike. Despite the rapid localization of strain in the Gulf at 6 Ma, the northern rift segment has the characteristics of a wide rift, with broadly distributed extensional strain and small gradients in topography and crustal thinning. Observations of active faulting in the continent-ocean transition of the Northern Gulf show multiple oblique-slip faults distributed in a 200 x 70 km2area developed some time after a westward relocation of the plate boundary at 2 Ma. In contrast, north and south of this broad pull-apart structure, major transform faults accommodate Pacific-North America plate motion. Here we propose that the mechanism for distributed brittle deformation results from the boundary conditions present in the Northern Gulf, where basal shear is distributed between the Cerro Prieto strike-slip fault (southernmost fault of the San Andreas fault system) and the Ballenas Transform fault. We hypothesize that in oblique-extensional settings whether deformation is partitioned in a few dip-slip and strike-slip faults, or in numerous oblique-slip faults may depend on (1) bottom-driven, distributed extension and shear deformation of the lower crust or upper mantle, and (2) the rift obliquity. To test this idea, we explore the effects of bottom-driven shear on the deformation of a brittle elastic-plastic layer with pseudo-three dimensional numerical models that include side forces. Strain localization results when the basal shear is a step-function while oblique-slip on numerous faults dominates when basal shear is distributed. We further investigate how the style of faulting varies with obliquity and demonstrate that the style of faulting observed in the Northern Gulf of California is reproduced in models with an obliquity of 0.7 and distributed basal shear boundary conditions, consistent with the interpreted obliquity and boundary conditions of the study area. Our findings motivate a suite of 3D models of the early plate boundary evolution in the Gulf, and highlight the importance of local stress field perturbations as a mechanism for broadening the deformation zone in other regions such as the Basin and Range, Rio Grande Rift and Malawi Rift.

Fault orientations in extensional and conjugate strike-slip environments and their implications

USGS Publications Warehouse

Thatcher, W.; Hill, D.P.

1991-01-01

Seismically active conjugate strike-slip faults in California and Japan typically have mutually orthogonal right- and left-lateral fault planes. Normal-fault dips at earthquake nucleation depths are concentrated between 40?? and 50??. The observed orientations and their strong clustering are surprising, because conventional faulting theory suggests fault initiation with conjugate 60?? and 120?? intersecting planes and 60?? normal-fault dip or fault reactivation with a broad range of permitted orientations. The observations place new constraints on the mechanics of fault initiation, rotation, and evolutionary development. We speculate that the data could be explained by fault rotation into the observed orientations and deactivation for greater rotation or by formation of localized shear zones beneath the brittle-ductile transition in Earth's crust. Initiation as weak frictional faults seems unlikely. -Authors

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

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.

Use of Terrestrial Laser Scanner for Rigid Airport Pavement Management

PubMed Central

Di Benedetto, Alessandro; Fiani, Margherita

2017-01-01

The evaluation of the structural efficiency of airport infrastructures is a complex task. Faulting is one of the most important indicators of rigid pavement performance. The aim of our study is to provide a new method for faulting detection and computation on jointed concrete pavements. Nowadays, the assessment of faulting is performed with the use of laborious and time-consuming measurements that strongly hinder aircraft traffic. We proposed a field procedure for Terrestrial Laser Scanner data acquisition and a computation flow chart in order to identify and quantify the fault size at each joint of apron slabs. The total point cloud has been used to compute the least square plane fitting those points. The best-fit plane for each slab has been computed too. The attitude of each slab plane with respect to both the adjacent ones and the apron reference plane has been determined by the normal vectors to the surfaces. Faulting has been evaluated as the difference in elevation between the slab planes along chosen sections. For a more accurate evaluation of the faulting value, we have then considered a few strips of data covering rectangular areas of different sizes across the joints. The accuracy of the estimated quantities has been computed too. PMID:29278386

Dynamic Simulations for the Seismic Behavior on the Shallow Part of the Fault Plane in the Subduction Zone during Mega-Thrust Earthquakes

NASA Astrophysics Data System (ADS)

Tsuda, K.; Dorjapalam, S.; Dan, K.; Ogawa, S.; Watanabe, T.; Uratani, H.; Iwase, S.

2012-12-01

The 2011 Tohoku-Oki earthquake (M9.0) produced some distinct features such as huge slips on the order of several ten meters around the shallow part of the fault and different areas with radiating seismic waves for different periods (e.g., Lay et al., 2012). These features, also reported during the past mega-thrust earthquakes in the subduction zone such as the 2004 Sumatra earthquake (M9.2) and the 2010 Chile earthquake (M8.8), get attentions as the distinct features if the rupture of the mega-thrust earthquakes reaches to the shallow part of the fault plane. Although various kinds of observations for the seismic behavior (rupture process and ground motion characteristics etc.) on the shallow part of the fault plane during the mega-trust earthquakes have been reported, the number of analytical or numerical studies based on dynamic simulation is still limited. Wendt et al. (2009), for example, revealed that the different distribution of initial stress produces huge differences in terms of the seismic behavior and vertical displacements on the surface. In this study, we carried out the dynamic simulations in order to get a better understanding about the seismic behavior on the shallow part of the fault plane during mega-thrust earthquakes. We used the spectral element method (Ampuero, 2009) that is able to incorporate the complex fault geometry into simulation as well as to save computational resources. The simulation utilizes the slip-weakening law (Ida, 1972). In order to get a better understanding about the seismic behavior on the shallow part of the fault plane, some parameters controlling seismic behavior for dynamic faulting such as critical slip distance (Dc), initial stress conditions and friction coefficients were changed and we also put the asperity on the fault plane. These understandings are useful for the ground motion prediction for future mega-thrust earthquakes such as the earthquakes along the Nankai Trough.

REEF: Retainable Evaluator Execution Framework

PubMed Central

Weimer, Markus; Chen, Yingda; Chun, Byung-Gon; Condie, Tyson; Curino, Carlo; Douglas, Chris; Lee, Yunseong; Majestro, Tony; Malkhi, Dahlia; Matusevych, Sergiy; Myers, Brandon; Narayanamurthy, Shravan; Ramakrishnan, Raghu; Rao, Sriram; Sears, Russell; Sezgin, Beysim; Wang, Julia

2015-01-01

Resource Managers like Apache YARN have emerged as a critical layer in the cloud computing system stack, but the developer abstractions for leasing cluster resources and instantiating application logic are very low-level. This flexibility comes at a high cost in terms of developer effort, as each application must repeatedly tackle the same challenges (e.g., fault-tolerance, task scheduling and coordination) and re-implement common mechanisms (e.g., caching, bulk-data transfers). This paper presents REEF, a development framework that provides a control-plane for scheduling and coordinating task-level (data-plane) work on cluster resources obtained from a Resource Manager. REEF provides mechanisms that facilitate resource re-use for data caching, and state management abstractions that greatly ease the development of elastic data processing work-flows on cloud platforms that support a Resource Manager service. REEF is being used to develop several commercial offerings such as the Azure Stream Analytics service. Furthermore, we demonstrate REEF development of a distributed shell application, a machine learning algorithm, and a port of the CORFU [4] system. REEF is also currently an Apache Incubator project that has attracted contributors from several instititutions.1 PMID:26819493

Structural imaging of the East Beni Sueif Basin, north eastern Desert, Egypt

NASA Astrophysics Data System (ADS)

Salem, E.; Sehim, A.

2017-12-01

The East Beni Sueif Basin is the only tested hydrocarbon-bearing basin on the eastern side of the Nile in Egypt. The basin is located around 150 km to the south of Cairo. This work introduces the first attempt of seismic interpretation and structural patterns of this basin, for which subsurface published works are lacking. Structural imaging of the area is achieved through interpretation of pre-stack time migration (PSTM) seismic cube and data sets of seven wells. The penetrated sedimentary section is represented by Albian-Middle Eocene sediments. The East Beni Sueif Basin is a type of the whole graben-system and is bounded by two NW-SE bounding faults. These faults had continued activity in an extensional regime associated with fault-propagating folds. The basin is traversed by a N75°E-trending fault system at basement level. This fault system separates the basin into two structural provinces. The Northwestern Province is deeper and shows more subsidence with a predominance of NW-trending longitudinal faults and N60·W oblique faults to the basin trend. The Southeastern Province is shallow and crossed by N14·W-trending faults which are slightly oblique to the basin axis. Albian time had witnessed the main extensional tectonic phase and resulted in major subsidence along basin-bounding faults associated with growth thickening of basal deposits. During Senonian time, the basin experienced a mild phase of transtensional tectonics, which formed negative-flower structures entrapping different folds along the N75°E and N60·W faults. The timing and style of these structures are similar to the Syrian-Arc structures in several Western Desert oil fields. The basin emerged during the Paleocene with scoured and eroded top Cretaceous sediments. Subsidence was resumed during the Early Eocene and resulted in 1500 m-thick carbonate sediments. Lastly, a mild extensional activity possibly occurred during the Oligocene-Miocene time. Despite the possible restricted potentiality of the source rock, the main hydrocarbon accumulation risk is attributed to retention in traps of long-span tectonic history. Reaching of main faults to surface through brittle carbonate cap rocks and limited thickness of the shale in the reservoir section risk hydrocarbon sealing. Buried structures of passive setting during the Tertiary show a minor trapping risk.

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

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.

Anisotropic structural and optical properties of semi-polar (11-22) GaN grown on m-plane sapphire using double AlN buffer layers.

PubMed

Zhao, Guijuan; Wang, Lianshan; Yang, Shaoyan; Li, Huijie; Wei, Hongyuan; Han, Dongyue; Wang, Zhanguo

2016-02-10

We report the anisotropic structural and optical properties of semi-polar (11-22) GaN grown on m-plane sapphire using a three-step growth method which consisted of a low temperature AlN buffer layer, followed by a high temperature AlN buffer layer and GaN growth. By introducing double AlN buffer layers, we substantially improve the crystal and optical qualities of semi-polar (11-22) GaN, and significantly reduce the density of stacking faults and dislocations. The high resolution x-ray diffraction measurement revealed that the in-plane anisotropic structural characteristics of GaN layer are azimuthal dependent. Transmission electron microscopy analysis showed that the majority of dislocations in the GaN epitaxial layer grown on m-sapphire are the mixed-type and the orientation of GaN layer was rotated 58.4° against the substrate. The room temperature photoluminescence (PL) spectra showed the PL intensity and wavelength have polarization dependence along parallel and perpendicular to the [1-100] axis (polarization degrees ~ 0.63). The realization of a high polarization semi-polar GaN would be useful to achieve III-nitride based lighting emission device for displays and backlighting.

Kinematics and strain distribution of a thrust-related fold system in the Lewis thrust plate, northwestern Montana (U.S.A.)

NASA Astrophysics Data System (ADS)

Yin, An; Oertel, Gerhard

1993-06-01

In order to understand interactions between motion along thrusts and the associated style of deformation and strain distribution in their hangingwalls, geologic mapping and strain measurements were conducted in an excellently exposed thrust-related fold system in the Lewis thrust plate, northwestern Montana. This system consists of: (1) an E-directed basal thrust (the Gunsight thrust) that has a flat-ramp geometry and a slip of about 3.6 km; (2) an E-verging asymmetric anticline with its nearly vertical forelimb truncated by the basal thrust from below; (3) a 4-km wide fold belt, the frontal fold complex, that lies directly in front of the E-verging anticline; (4) a W-directed bedding-parallel fault (the Mount Thompson fault) that bounds the top of the frontal fold belt and separates it from the undeformed to broadly folded strata above; and (5) regionally developed, W-dipping spaced cleavage. Although the overall geometry of the thrust-related fold system differs from any previously documented fault-related folds, the E-verging anticline itself resembles geometrically a Rich-type fault-bend fold. The observed initial cut-off and fold interlimb angles of this anticline, however, cannot be explained by cross-section balancing models for the development of either a fault-bend fold or a fault propagation fold. Possible origins for the E-verging anticline include (1) the fold initiated as an open fault-bend fold and tightened only later during its emplacement along the basal thrust and (2) the fold started as either a fault-bend or a fault-propagation fold, but simultaneous or subsequent volume change incompatible with any balanced cross-section models altered its shape. Strain in the thrust-related fold system was determined by the preferred orientation of mica and chlorite grains. The direction and magnitude of the post-compaction strain varies from place to place. Strains in the foreclimb of the hangingwall anticline imply bedding-parallel thinning at some localities and thickening at others. This inhomogeneity may be caused by the development of thrusts and folds. Strain in the backlimb of the hangingwall anticline implies bedding-parallel stretching in the thrust transport direction. This could be the effect of bending as the E-verging anticline was tightened and transported across the basal thrust ramp. Strain measured next to the Gunsight thrust again indicates locally varying shortening and extension in the transport direction, perhaps in response to inhomogeneous friction on the fault or else to a history of alternating strain hardening and softening in the basal thrust zone.

Ferrimagnetic resonance signal produced by frictional heating: A new indicator of paleoseismicity

NASA Astrophysics Data System (ADS)

Fukuchi, Tatsuro; Mizoguchi, Kazuo; Shimamoto, Toshihiko

2005-12-01

High-speed fault slips during earthquakes may generate sufficient frictional heat to produce fused fault rocks such as pseudotachylyte. We have carried out high-speed slip tests using natural fault gouge to judge whether or not frictional heating universally occurs during seismic fault slips. In our shearing tests, natural fault gouge is put between two cylindrical silica glasses and sheared under a fixed axial stress of 0.61 MPa. Despite such a low stress near the Earth's surface, a darkened cohesive material resembling pseudotachylyte is made from the fault gouge along the edge of a circular shear plane when shearing at a high speed of 1500 rpm (the maximum slip rate reaches ˜1.96 m/s at the edge). Electron spin resonance measurements reveal that the darkened cohesive material has a strong ferrimagnetic resonance (FMR) signal, which is derived from bulky trivalent iron ions in ferrimagnetic iron oxides (γ-Fe2O3). The FMR signal is produced by the thermal dehydration of antiferromagnetic iron oxides (γ-FeOOH) in the fault gouge. This may be applicable to the detection of past heating during seismic fault slip. We thus attempt to reconstruct the temperature of frictional heat generated on the Nojima fault plane in the 1995 Kobe earthquake (M = 7.3) by inversion using the FMR signal. The computer simulation indicates that the frictional heat generated on the Nojima fault plane at ˜390 m depth may have attained ˜390°C during the 1995 Kobe earthquake. The temperature in the fault plane may have returned to its initial state after ˜1 year. This result suggests that a heat flow anomaly generated by faulting may be difficult to detect.

High resolution t-LiDAR scanning of an active bedrock fault scarp for palaeostress analysis

NASA Astrophysics Data System (ADS)

Reicherter, Klaus; Wiatr, Thomas; Papanikolaou, Ioannis; Fernández-Steeger, Tomas

2013-04-01

Palaeostress analysis of an active bedrock normal fault scarp based on kinematic indicators is carried applying terrestrial laser scanning (t-LiDAR or TLS). For this purpose three key elements are necessary for a defined region on the fault plane: (i) the orientation of the fault plane, (ii) the orientation of the slickenside lineation or other kinematic indicators and (iii) the sense of motion of the hanging wall. We present a workflow to obtain palaeostress data from point cloud data using terrestrial laser scanning. The entire case-study was performed on a continuous limestone bedrock normal fault scarp on the island of Crete, Greece, at four different locations along the WNW-ESE striking Spili fault. At each location we collected data with a mobile terrestrial light detection and ranging system and validated the calculated three-dimensional palaeostress results by comparison with the conventional palaeostress method with compass at three of the locations. Numerous kinematics indicators for normal faulting were discovered on the fault plane surface using t-LiDAR data and traditional methods, like Riedel shears, extensional break-outs, polished corrugations and many more. However, the kinematic indicators are more or less unidirectional and almost pure dip-slip. No oblique reactivations have been observed. But, towards the tips of the fault, inclination of the striation tends to point towards the centre of the fault. When comparing all reconstructed palaeostress data obtained from t-LiDAR to that obtained through manual compass measurements, the degree of fault plane orientation divergence is around ±005/03 for dip direction and dip. The degree of slickenside lineation variation is around ±003/03 for dip direction and dip. Therefore, the percentage threshold error of the individual vector angle at the different investigation site is lower than 3 % for the dip direction and dip for planes, and lower than 6 % for strike. The maximum mean variation of the complete calculated palaeostress tensors is ±005/03. So, technically t-LiDAR measurements are in the error range of conventional compass measurements. The advantages is that remote palaeostress analysis is possible. Further steps in our research will be studying reactivated faults planes with multiple kinematic indicators or striations with t-LiDAR.

Creation of nanopores on graphene planes with MgO template for preparing high-performance supercapacitor electrodes

NASA Astrophysics Data System (ADS)

Wang, Huanjing; Sun, Xiuxia; Liu, Zonghuai; Lei, Zhibin

2014-05-01

Creation of nanopores on graphene planar sheets is of great significance in promoting the kinetic diffusion of electrolyte and enhancing the utilization efficiency of graphene planar sheets. Herein, we developed a facile chemical vapor deposition strategy to prepare highly porous graphene with flake-like MgO as template and ferrocene as the carbon precursor. The graphene layers show a highly porous structure with small mesopores of 4-8 nm, large mesopores of 10-20 nm and additional macropores of 100-200 nm. These nanopores on graphene sheets provide numerous channels for fast ion transport perpendicular to the 2D basal plane, while the good powder conductivity ensures an effective electron propagation within the 2D graphene plane. As a result, a specific capacitance of 303 F g-1, an areal capacitance up to 17.3 μF cm-2 and a nearly tenfold shorter time constant were achieved when compared with those of nonporous and stacked graphene electrodes. The method demonstrated herein would open up an opportunity to prepare porous graphene for a wide applications in energy storage, biosensors, nanoelectronics and catalysis.Creation of nanopores on graphene planar sheets is of great significance in promoting the kinetic diffusion of electrolyte and enhancing the utilization efficiency of graphene planar sheets. Herein, we developed a facile chemical vapor deposition strategy to prepare highly porous graphene with flake-like MgO as template and ferrocene as the carbon precursor. The graphene layers show a highly porous structure with small mesopores of 4-8 nm, large mesopores of 10-20 nm and additional macropores of 100-200 nm. These nanopores on graphene sheets provide numerous channels for fast ion transport perpendicular to the 2D basal plane, while the good powder conductivity ensures an effective electron propagation within the 2D graphene plane. As a result, a specific capacitance of 303 F g-1, an areal capacitance up to 17.3 μF cm-2 and a nearly tenfold shorter time constant were achieved when compared with those of nonporous and stacked graphene electrodes. The method demonstrated herein would open up an opportunity to prepare porous graphene for a wide applications in energy storage, biosensors, nanoelectronics and catalysis. Electronic supplementary information (ESI) available: TGA curve, SEM and XRD patterns of MgO; TEM image of Mg5(CO3)4(OH)2.4H2O HRTEM; Raman spectrum of porous graphene, and its electrochemical performance including CV and galvanostatic charge-discharge curves in a three-electrode cell with 6.0 mol L-1 aqueous KOH as electrolyte; comparative electrocapacitive performances of graphene materials prepared by various methods; CV behaviors of porous graphene in two-electrode cell and the last 10 cycles in 1000 charge-discharge cycles in 1.0 mol L-1 TEABF4/AN electrolyte. See DOI: 10.1039/c4nr00538d

The edge- and basal-plane-specific electrochemistry of a single-layer graphene sheet

PubMed Central

Yuan, Wenjing; Zhou, Yu; Li, Yingru; Li, Chun; Peng, Hailin; Zhang, Jin; Liu, Zhongfan; Dai, Liming; Shi, Gaoquan

2013-01-01

Graphene has a unique atom-thick two-dimensional structure and excellent properties, making it attractive for a variety of electrochemical applications, including electrosynthesis, electrochemical sensors or electrocatalysis, and energy conversion and storage. However, the electrochemistry of single-layer graphene has not yet been well understood, possibly due to the technical difficulties in handling individual graphene sheet. Here, we report the electrochemical behavior at single-layer graphene-based electrodes, comparing the basal plane of graphene to its edge. The graphene edge showed 4 orders of magnitude higher specific capacitance, much faster electron transfer rate and stronger electrocatalytic activity than those of graphene basal plane. A convergent diffusion effect was observed at the sub-nanometer thick graphene edge-electrode to accelerate the electrochemical reactions. Coupling with the high conductivity of a high-quality graphene basal plane, graphene edge is an ideal electrode for electrocatalysis and for the storage of capacitive charges. PMID:23896697

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.

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.

Dual-vergence structure from multiple migration of widely spaced OBSs

NASA Astrophysics Data System (ADS)

Yelisetti, Subbarao; Spence, George D.; Scherwath, Martin; Riedel, Michael; Klaeschen, Dirk

2017-10-01

The detailed structure of the northern Cascadia basin and frontal ridge region was obtained using data from several widely spaced ocean bottom seismometers (OBSs). Mirror imaging was used in which the downgoing multiples (mirror signal) are migrated as they provide information about a much larger area than imaging with primary signal alone. Specifically, Kirchhoff time migration was applied to hydrophone and vertical geophone data. Our results indicate remarkable structures that were not observed on the northern Cascadia margin in previous single-channel or multi-channel seismic (MCS) data. Results show that, in these water depths (2.0-2.5 km), an OBS can image up to 5 km on either side of its position on the seafloor and hence an OBS spacing of 5 km is sufficient to provide a two-fold migration stack. Results also show the top of the igneous oceanic crust at 5-6 km beneath the seafloor using only a small airgun source (120 in.3). Specifically, OBS migration results clearly show the continuity of reflectors which enabled the identification of frontal thrusts and a main thrust fault. These faults indicate, for the first time on this margin, the presence of a dual-vergence structure. These kinds of structures have so far been observed in < 0.5% of modern convergent margins and could be related to horizontal compression associated with subduction and low basal shear stress resulting from over-pressure. Reanalysis of previous MCS data from this region augmented the OBS migration results and further suggests that the vergence switches from seaward to landward around central Vancouver Island. Furthermore, fault geometry analyses indicate that the total amount of shortening accommodated due to faulting and folding is about 3 km, which suggest that thrusting would have started at least ∼ 65 ky ago.

Arginine side chain stacking with peptide plane stabilizes the protein helix conformation in a cooperative way.

PubMed

Wang, Jia; Chen, Jingfei; Li, Jingwen; An, Liaoyuan; Wang, Yefei; Huang, Qingshan; Yao, Lishan

2018-06-01

A combined experimental and computational study is performed for arginine side chain stacking with the protein α-helix. Theremostability measurements of Aristaless homeodomain, a helical protein, suggest that mutating the arginine residue R106, R137 or R141, which has the guanidino side chain stacking with the peptide plane, to alanine, destabilizes the protein. The R-PP stacking has an energy of ∼0.2-0.4 kcal/mol. This stacking interaction mainly comes from dispersion and electrostatics, based on MP2 calculations with the energy decomposition analysis. The calculations also suggest that the stacking stabilizes 2 backbone-backbone h-bonds (i→i-4 and i-3→i-7) in a cooperative way. Desolvation and electrostatic polarization are responsible for cooperativity with the i→i-4 and i-3→i-7 h-bonds, respectively. This cooperativity is supported by a protein α-helices h-bond survey in the pdb databank where stacking shortens the corresponding h-bond distances. © 2018 Wiley Periodicals, Inc.

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

Hamann, Danielle M.; Lygo, Alexander C.; Esters, Marco

Single- and few-layer metal chalcogenide compounds are of significant interest due to structural changes and emergent electronic properties on reducing dimensionality from three to two dimensions. To explore dimensionality effects in SnSe, a series of [(SnSe) 1+δ] mTiSe 2 intergrowth structures with increasing SnSe layer thickness (m = 1-4) were prepared from designed thin-film precursors. In-plane diffraction patterns indicated that significant structural changes occurred in the basal plane of the SnSe constituent as m is increased. Scanning transmission electron microscopy cross-sectional images of the m = 1 compound indicate long-range coherence between layers, whereas the m >/= 2 compounds showmore » extensive rotational disorder between the constituent layers. For m >/= 2, the images of the SnSe constituent contain a variety of stacking sequences of SnSe bilayers. Density functional theory calculations suggest that the formation energy is similar for several different SnSe stacking sequences. The compounds show unexpected transport properties as m is increased, including the first p-type behavior observed in (MSe)m(TiSe 2) n compounds. The resistivity of the m >/- 2 compounds is larger than for m = 1, with m = 2 being the largest. At room temperature, the Hall coefficient is positive for m = 1 and negative for m = 2-4. The Hall coefficient of the m = 2 compound changes sign as temperature is decreased. The room-temperature Seebeck coefficient, however, switches from negative to positive at m = 3. These properties are incompatible with single band transport indicating that the compounds are not simple composites.« less

Mesoscale models for stacking faults, deformation twins and martensitic transformations: Linking atomistics to continuum

NASA Astrophysics Data System (ADS)

Kibey, Sandeep A.

We present a hierarchical approach that spans multiple length scales to describe defect formation---in particular, formation of stacking faults (SFs) and deformation twins---in fcc crystals. We link the energy pathways (calculated here via ab initio density functional theory, DFT) associated with formation of stacking faults and twins to corresponding heterogeneous defect nucleation models (described through mesoscale dislocation mechanics). Through the generalized Peieirls-Nabarro model, we first correlate the width of intrinsic SFs in fcc alloy systems to their nucleation pathways called generalized stacking fault energies (GSFE). We then establish a qualitative dependence of twinning tendency in fee metals and alloys---specifically, in pure Cu and dilute Cu-xAl (x= 5.0 and 8.3 at.%)---on their twin-energy pathways called the generalized planar fault energies (GPFE). We also link the twinning behavior of Cu-Al alloys to their electronic structure by determining the effect of solute Al on the valence charge density redistribution at the SF through ab initio DFT. Further, while several efforts have been undertaken to incorporate twinning for predicting stress-strain response of fcc materials, a fundamental law for critical twinning stress has not yet emerged. We resolve this long-standing issue by linking quantitatively the twin-energy pathways (GPFE) obtained via ab initio DFT to heterogeneous, dislocation-based twin nucleation models. We establish an analytical expression that quantitatively predicts the critical twinning stress in fcc metals in agreement with experiments without requiring any empiricism at any length scale. Our theory connects twinning stress to twin-energy pathways and predicts a monotonic relation between stress and unstable twin stacking fault energy revealing the physics of twinning. We further demonstrate that the theory holds for fcc alloys as well. Our theory inherently accounts for directional nature of twinning which available qualitative models do not necessarily account for. Finally, we extend the present work to martensitic transformations and determine the energy pathway for B2→B19 transformation in NiTi. Based on our ab initio DFT calculations, we propose a combined distortion-shuffle pathway for B2→B19 transformation in NiTi. Our results indicate that in NiTi, a barrier of 0.48 mRyd/atom (relative to B2 phase) must be overcome to transform the parent B2 into orthorhombic B19 phase.

Volcanic avalanche fault zone with pseudotachylite and gouge in French Massif Central

NASA Astrophysics Data System (ADS)

Bernard, Karine; van Wyk de Vries, Benjamin

2017-11-01

Structures and textures with sedimentological variations at different scales of the lithofacies assemblage help us to constrain the basal kinematic transition from non-depositional to depositional conditions during volcanic avalanche emplacement. In the well-exposed impact-sheared contact along volcanic avalanche fault zone in the French Massif Central, we observe how the granular textures of the pseudotachylite and fault gouge have recorded the propagation of shock wave with granular oscillatory stress. Sequential events of basal aggradation along avalanche fault zone have been established related to fractal D-values, temperature pressure regime and oscillatory stress during slow wave velocity. A typical lithofacies assemblage with a reverse grading shows the pseudotachylite and fault gouge. A cataclastic gradient is characterised by the fractal D-values from 2.7 in jigsaw breccias with pseudotachylite partial melt, to 2.6 in the polymodal gouge. Shock, brecciation and comminution produce cataclastic shear bands in the pseudotachylite and quartz microstructures along the basal contact of the volcanic debris-avalanche deposit. Gouge microstructures show granular segregation, cataclasis with antithetic rotational Riedel shear, and an arching effect between the Riedel shear bands. X-ray microtomography provided 3D microfabrics along the clastic vein in the sandy-gouge. From the available statistical dataset, a few equations have been developed implicating the same cataclastic origin with a co-genetic evolution of lithofacies. An impact wave during primary shear propagation may contribute to produce hydroclastic matrix, pseudotachylite partial melt and proximal gouge thixotropy with v 50m/s and a T < 654 °C. The interseismic period with oscillatory stress is related to crushed clasts and basaltic melt around 800 °C, Riedel shear bands with granular segregation along the fault gouge. The secondary shock by matrix-rich avalanche (ΔP = 10GPa, T ≥ 1000-1500 °C) contributes to quartz microstructures along the avalanche basal contact and quartz spheroids in microscopic cataclastic shear bands. Decompression around 654-800 °C is related to tertiary sub-vertical oscillations with a backward moving shock and antithetic rotational fault megablock. Semi-quantitative analyses of seismogenic fault basement contribute to establish the localised conditions related to sequential aggradation along volcanic avalanche fault zone.

Source parameters of the 2016 Menyuan earthquake in the northeastern Tibetan Plateau determined from regional seismic waveforms and InSAR measurements

NASA Astrophysics Data System (ADS)

Liu, Yunhua; Zhang, Guohong; Zhang, Yingfeng; Shan, Xinjian

2018-06-01

On January 21st, 2016, a Ms 6.4 earthquake hit Menyuan County, Qinghai province, China. The nearest known fault is the Leng Long Ling (LLL) fault which is located approximately 7 km north of the epicenter. This fault has mainly shown sinistral strike-slip movement since the late Quaternary Period. However, the focal mechanism indicates that it is a thrust earthquake, which is different from the well-known strike-slip feature of the LLL fault. In this study, we determined the focal mechanism and primary nodal plane through multi-step inversions in the frequency and time domain by using the broadband regional seismic waveforms recorded by the China Digital Seismic Network (CDSN). Our results show that the rupture duration was short, within 0-2 s after the earthquake, and the rupture expanded upwards along the fault plane. Based on these fault parameters, we then solve for variable slip distribution on the fault plane using the InSAR data. We applied a three-segment fault model to simulate the arc-shaped structure of the northern LLL fault, and obtained a detailed slip distribution on the fault plane. The inversion results show that the maximum slip is 0.43 m, and the average slip angle is 78.8°, with a magnitude of Mw 6.0 and a focal depth of 9.38 km. With the geological structure and the inversion results taken into consideration, it can be suggested that this earthquake was caused by the arc-shaped secondary fault located at the north side of the LLL fault. The secondary fault, together with the LLL fault, forms a normal flower structure. The main LLL fault extends almost vertically into the base rock and the rocks between the two faults form a bulging fault block. Therefore, we infer that this earthquake is the manifestation of a neotectonics movement, in which the bulging fault block is lifted further up under the compresso-shear action caused by the Tibetan Plateau pushing towards the northwest direction.

SAR-revealed slip partitioning on a bending fault plane for the 2014 Northern Nagano earthquake at the northern Itoigawa-Shizuoka tectonic line

NASA Astrophysics Data System (ADS)

Kobayashi, Tomokazu; Morishita, Yu; Yarai, Hiroshi

2018-05-01

By applying conventional cross-track synthetic aperture radar interferometry (InSAR) and multiple aperture InSAR techniques to ALOS-2 data acquired before and after the 2014 Northern Nagano, central Japan, earthquake, a three-dimensional ground displacement field has been successfully mapped. Crustal deformation is concentrated in and around the northern part of the Kamishiro Fault, which is the northernmost section of the Itoigawa-Shizuoka tectonic line. The full picture of the displacement field shows contraction in the northwest-southeast direction, but northeastward movement along the fault strike direction is prevalent in the northeast portion of the fault, which suggests that a strike-slip component is a significant part of the activity of this fault, in addition to a reverse faulting. Clear displacement discontinuities are recognized in the southern part of the source region, which falls just on the previously known Kamishiro Fault trace. We inverted the SAR and GNSS data to construct a slip distribution model; the preferred model of distributed slip on a two-plane fault surface shows a combination of reverse and left-lateral fault motions on a bending east-dipping fault surface with a dip of 30° in the shallow part and 50° in the deeper part. The hypocenter falls just on the estimated deeper fault plane where a left-lateral slip is inferred, whereas in the shallow part, a reverse slip is predominant, which causes surface ruptures on the ground. The slip partitioning may be accounted for by shear stress resulting from a reverse fault slip with left-lateral component at depth, for which a left-lateral slip is suppressed in the shallow part where the reverse slip is inferred. The slip distribution model with a bending fault surface, instead of a single fault plane, produces moment tensor solution with a non-double couple component, which is consistent with the seismically estimated mechanism.

Origin of a crustal splay fault and its relation to the seismogenic zone and underplating at the erosional north Ecuador-south Colombia oceanic margin

NASA Astrophysics Data System (ADS)

Collot, J.-Y.; Agudelo, W.; Ribodetti, A.; Marcaillou, B.

2008-12-01

Splay faults within accretionary complexes are commonly associated with the updip limit of the seismogenic zone. Prestack depth migration of a multichannel seismic line across the north Ecuador-south Colombia oceanic margin images a crustal splay fault that correlates with the seaward limit of the rupture zone of the 1958 (Mw 7.7) tsunamogenic subduction earthquake. The splay fault separates 5-6.6 km/s velocity, inner wedge basement rocks, which belong to the accreted Gorgona oceanic terrane, from 4 to 5 km/s velocity outer wedge rocks. The outer wedge is dominated by basal tectonic erosion. Despite a 3-km-thick trench fill, subduction of 2-km-high seamount prevented tectonic accretion and promotes basal tectonic erosion. The low-velocity and poorly reflective subduction channel that underlies the outer wedge is associated with the aseismic, décollement thrust. Subduction channel fluids are expected to migrate upward along splay faults and alter outer wedge rocks. Conversely, duplexes are interpreted to form from and above subducting sediment, at ˜14- to 15-km depths between the overlapping seismogenic part of the splay fault and the underlying aseismic décollement. Coeval basal erosion of the outer wedge and underplating beneath the apex of inner wedge control the margin mass budget, which comes out negative. Intraoceanic basement fossil listric normal faults and a rift zone inverted in a flower structure reflect the evolution of the Gorgona terrane from Cretaceous extension to likely Eocene oblique compression. The splay faults could have resulted from tectonic inversion of listric normal faults, thus showing how inherited structures may promote fluid flow across margin basement and control seismogenesis.

Nanocrystalline copper films are never flat.

PubMed

Zhang, Xiaopu; Han, Jian; Plombon, John J; Sutton, Adrian P; Srolovitz, David J; Boland, John J

2017-07-28

We used scanning tunneling microscopy to study low-angle grain boundaries at the surface of nearly planar copper nanocrystalline (111) films. The presence of grain boundaries and their emergence at the film surface create valleys composed of dissociated edge dislocations and ridges where partial dislocations have recombined. Geometric analysis and simulations indicated that valleys and ridges were created by an out-of-plane grain rotation driven by reduction of grain boundary energy. These results suggest that in general, it is impossible to form flat two-dimensional nanocrystalline films of copper and other metals exhibiting small stacking fault energies and/or large elastic anisotropy, which induce a large anisotropy in the dislocation-line energy. Copyright © 2017 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

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

Direct Three-Dimensional Myocardial Strain Tensor Quantification and Tracking using zHARP★

PubMed Central

Abd-Elmoniem, Khaled Z.; Stuber, Matthias; Prince, Jerry L.

2008-01-01

Images of myocardial strain can be used to diagnose heart disease, plan and monitor treatment, and to learn about cardiac structure and function. Three-dimensional (3-D) strain is typically quantified using many magnetic resonance (MR) images obtained in two or three orthogonal planes. Problems with this approach include long scan times, image misregistration, and through-plane motion. This article presents a novel method for calculating cardiac 3-D strain using a stack of two or more images acquired in only one orientation. The zHARP pulse sequence encodes in-plane motion using MR tagging and out-of-plane motion using phase encoding, and has been previously shown to be capable of computing 3D displacement within a single image plane. Here, data from two adjacent image planes are combined to yield a 3-D strain tensor at each pixel; stacks of zHARP images can be used to derive stacked arrays of 3D strain tensors without imaging multiple orientations and without numerical interpolation. The performance and accuracy of the method is demonstrated in-vitro on a phantom and in-vivo in four healthy adult human subjects. PMID:18511332

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.

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.

Significant contribution of stacking faults to the strain hardening behavior of Cu-15%Al alloy with different grain sizes.

PubMed

Tian, Y Z; Zhao, L J; Chen, S; Shibata, A; Zhang, Z F; Tsuji, N

2015-11-19

It is commonly accepted that twinning can induce an increase of strain-hardening rate during the tensile process of face-centered cubic (FCC) metals and alloys with low stacking fault energy (SFE). In this study, we explored the grain size effect on the strain-hardening behavior of a Cu-15 at.%Al alloy with low SFE. Instead of twinning, we detected a significant contribution of stacking faults (SFs) irrespective of the grain size even in the initial stage of tensile process. In contrast, twinning was more sensitive to the grain size, and the onset of deformation twins might be postponed to a higher strain with increasing the grain size. In the Cu-15 at.%Al alloy with a mean grain size of 47 μm, there was a stage where the strain-hardening rate increases with strain, and this was mainly induced by the SFs instead of twinning. Thus in parallel with the TWIP effect, we proposed that SFs also contribute significantly to the plasticity of FCC alloys with low SFE.

Significant contribution of stacking faults to the strain hardening behavior of Cu-15%Al alloy with different grain sizes

PubMed Central

Tian, Y. Z.; Zhao, L. J.; Chen, S.; Shibata, A.; Zhang, Z. F.; Tsuji, N.

2015-01-01

It is commonly accepted that twinning can induce an increase of strain-hardening rate during the tensile process of face-centered cubic (FCC) metals and alloys with low stacking fault energy (SFE). In this study, we explored the grain size effect on the strain-hardening behavior of a Cu-15 at.%Al alloy with low SFE. Instead of twinning, we detected a significant contribution of stacking faults (SFs) irrespective of the grain size even in the initial stage of tensile process. In contrast, twinning was more sensitive to the grain size, and the onset of deformation twins might be postponed to a higher strain with increasing the grain size. In the Cu-15 at.%Al alloy with a mean grain size of 47 μm, there was a stage where the strain-hardening rate increases with strain, and this was mainly induced by the SFs instead of twinning. Thus in parallel with the TWIP effect, we proposed that SFs also contribute significantly to the plasticity of FCC alloys with low SFE. PMID:26582568

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

Fuel cell arrangement

DOEpatents

Isenberg, A.O.

1987-05-12

A fuel cell arrangement is provided wherein cylindrical cells of the solid oxide electrolyte type are arranged in planar arrays where the cells within a plane are parallel. Planes of cells are stacked with cells of adjacent planes perpendicular to one another. Air is provided to the interior of the cells through feed tubes which pass through a preheat chamber. Fuel is provided to the fuel cells through a channel in the center of the cell stack; the fuel then passes the exterior of the cells and combines with the oxygen-depleted air in the preheat chamber. 3 figs.

Fuel cell arrangement

DOEpatents

Isenberg, Arnold O.

1987-05-12

A fuel cell arrangement is provided wherein cylindrical cells of the solid oxide electrolyte type are arranged in planar arrays where the cells within a plane are parallel. Planes of cells are stacked with cells of adjacent planes perpendicular to one another. Air is provided to the interior of the cells through feed tubes which pass through a preheat chamber. Fuel is provided to the fuel cells through a channel in the center of the cell stack; the fuel then passes the exterior of the cells and combines with the oxygen-depleted air in the preheat chamber.

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.

[Characteristics of Raman spectra of minerals in the veins of Wenchuan earthquake fault zone].

PubMed

Xie, Chao; Zhou, Ben-gang; Liu, Lei; Zhou, Xiao-cheng; Yi, Li; Chen, Zhi; Cui, Yue-ju; Li, Jing; Chen, Zheng-wei; Du, Jian-guo

2015-01-01

Quartz in the veins at the Shenxigou section of Wenchuan earthquake fault zone was investigated by micro-Raman spectroscopic measurement, and the distribution of compressive stress in the fault zone was estimated by the frequency shifts of the 464 cm-1 vibrational mode of quartz grains in the veins. It was showed that the 464 cm-1 peak arising from the quartz grains in the veins near the fault plane shifts by 3. 29 cm-1 , and the corresponding compressive stress is 368. 63 MPa, which is significantly lower than the stress accumulation on both sides due to multi-stage events. Stress accumulation increased with moving away from the fault plane in the footwall with the offset of the 464 cm-1 peak arising from the quartz grains in the veins increasing, which can reach 494. 77 MPa at a distance of 21 m with a high offset of 4. 40 cm-1 of the 464 cm-1 peak. The compressive stress gets the maximum value of 519.87 MPa at a distance of 10 m from the fault plane in the hanging wall with the offset of the 464 cm-1 peak arising from the quartz grains in the veins being 4. 62 cm-1, followed by a sudden drop in stress accumulation, and it drops to 359. 59 MPa at a distance of 17 m. Because of moving away from the foult plane at the edge of the foult zone, the stress drops to 359. 59 MPa with a small value of 464 cm-1 peak offset 3. 21 cm-1 at a distance of 27 m from the fault plane in the hanging wall due to the little effect by the fault activity. Therefore, the stress of Wenchuan earthquake fault zone is partially released, but the rest of the stress distribution is uneven, and there is also a high stress accumulation in somewhere in the fault zone, which reflects that the mechanical properties of the rocks in the fault zone have a characteristic of unevenness in space.

Millennial strain partitioning and fault interaction revealed by 36Cl cosmogenic nuclide datasets from Abruzzo, Central Italy

NASA Astrophysics Data System (ADS)

Gregory, L. C.; Phillips, R. J.; Roberts, G.; Cowie, P. A.; Shanks, R. P.; McCaffrey, K. J. W.; Wedmore, L. N. J.; Zijerveld, L.

2015-12-01

In zones of distributed continental faulting, it is critical to understand how slip is partitioned onto brittle structures over both long-term millennial time scales and shorter-term individual earthquake cycles. The comparison of slip distributions on different timescales is challenging due to earthquake repeat-times being longer or similar to historical earthquake records, and a paucity of data on fault activity covering millennial to Quaternary scales in detail. Cosmogenic isotope analyses from bedrock fault scarps have the potential to bridge the gap, as these datasets track the exposure of fault planes due to earthquakes with better-than-millennial resolution. In this presentation, we will use an extensive 36Cl dataset to characterise late Holocene activity across a complicated network of normal faults in Abruzzo, Italy, comparing the most recent fault behaviour with the historical earthquake record in the region. Extensional faulting in Abruzzo has produced scarps of exposed bedrock limestone fault planes that have been preserved since the last glacial maximum (LGM). 36Cl accumulates in bedrock fault scarps as the plane is progressively exhumed by earthquakes and thus the concentration of 36Cl measured up the fault plane reflects the rate and patterns of slip. In this presentation, we will focus on the most recent record, revealed at the base of the fault. Utilising new Bayesian modelling techniques on new and previously collected data, we compare evidence for this most recent period of slip (over the last several thousands of years) across 5-6 fault zones located across strike from each other. Each sampling site is carefully characterised using LiDAR and GPR. We demonstrate that the rate of slip on individual fault strands varies significantly, between having periods of accelerated slip to relative quiescence. Where data is compared between across-strike fault zones and with the historical catalogue, it appears that slip is partitioned such that one fault zone takes up a significant portion of strain across the region for hundreds to thousands of years.

A model for the plastic flow of landslides

USGS Publications Warehouse

Savage, William Z.; Smith, William K.

1986-01-01

To further the understanding of the mechanics of landslide flow, we present a model that predicts many of the observed attributes of landslides. The model is based on an integration of the hyperbolic differential equations for stress and velocity fields in a two-dimensional, inclined, semi-infinite half-space of Coulomb plastic material under elevated pore pressure and gravity. Our landslide model predicts commonly observed features. For example, compressive (passive), plug, or extending (active) flow will occur under appropriate longitudinal strain rates. Also, the model predicts that longitudinal stresses increase elliptically with depth to the basal slide plane, and that stress and velocity characteristics, surfaces along which discontinuities in stress and velocity are propagated, are coincident. Finally, the model shows how thrust and normal faults develop at the landslide surface in compressive and extending flow.

Full Aftershock Sequence of the M w 6.9 2003 Boumerdes Earthquake, Algeria: Space-Time Distribution, Local Tomography and Seismotectonic Implications

NASA Astrophysics Data System (ADS)

Kherroubi, Abdelaziz; Yelles-Chaouche, Abdelkrim; Koulakov, Ivan; Déverchère, Jacques; Beldjoudi, Hamoud; Haned, Abderrahmane; Semmane, Fethi; Aidi, Chafik

2017-07-01

We present a detailed analysis of the aftershocks of the May 21, 2003 Boumerdes earthquake ( M w = 6.9) recorded by 35 seismological stations and 2 OBS deployed in the epicentral area. This network recorded the aftershock activity for about 1 year and resulted in locating about 2500 events. The five main aftershocks (4.7 < M <5.8) display thrust faulting consistent with the main shock, except for the second event (M5.8, 29/05/2003) which depicts a strike-slip focal solution at the western tip of the rupture zone. Most aftershocks are clustered near the main rupture plane, in the footwall or at the westernmost tip of the 2003 Boumerdes rupture area. Many aftershocks last over the whole seismic crisis ahead (north) of the main rupture zone, forming a diffuse, low-angle surface within the footwall where the coseismic static stress change is predicted to increase. At the SW tip of the rupture, short-lived clusters locate at intersections of faults near the contact between the inner (Kabylia) and outer (Tell) zones. The tomographic inversion depicts high-velocity P- and S-wave anomalies coinciding with Miocene magmatic intrusive bodies in the upper crust, partially hidden by surrounding basins. The area of the main shock is associated with a large low-velocity body subdivided into sub-domains, including Neogene basins on land and offshore. Our results support a rupture model strongly controlled by geological inhomogeneities and extending as ramp-flat-ramp systems upward, favoring heterogeneous slip and segmentation in the fault plane with strong afterslip toward the surface. The diffuse aftershock activity in the footwall evidences an inherited discontinuity at mid-crustal depth that we interpret as the contact of Kabylian and African (Tethyan) continental crusts that were stacked during the Upper Miocene collision.

Stacking fault-mediated ultrastrong nanocrystalline Ti thin films

NASA Astrophysics Data System (ADS)

Wu, K.; Zhang, J. Y.; Li, G.; Wang, Y. Q.; Cui, J. C.; Liu, G.; Sun, J.

2017-11-01

In this work, we prepared nanocrystalline (NC) Ti thin films with abundant stacking faults (SFs), which were created via partial dislocations emitted from grain boundaries and which were insensitive to grain sizes. By employing the nanoindentation test, we investigated the effects of SFs and grain sizes on the strength of NC Ti films at room temperature. The high density of SFs significantly strengthens NC Ti films, via dislocation-SF interactions associated with the reported highest Hall-Petch slope of ˜20 GPa nm1/2, to an ultrahigh strength of ˜4.4 GPa, approaching ˜50% of its ideal strength.

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.

Presence of negative charge on the basal planes of New York talc.

PubMed

Burdukova, E; Becker, M; Bradshaw, D J; Laskowski, J S

2007-11-01

Potentiometric titration measurements as well as rheological measurements of talc aqueous suspensions indicate that the behavior of the New York talc particles is consistent with the presence of a negative charge on their basal planes. The possibility of the presence of a negative electrical charge on the basal planes of talc particles is analyzed in this paper. Samples of New York talc were studied using electron microprobe analysis and dehydration techniques and the exact chemical formula of New York talc was determined. It was found that there exists a deficiency of protons in the tetrahedral layers of talc, resulting from substitution of Si(4+) ions with Al(3+) and Ti(3+) ions. The comparison of the level of substitution of Si(4+) ions with ions of a lower valency was found to be of a similar order of magnitude as that found in other talc deposits. This strongly points to the presence of a negative charge on the talc basal planes.

Electrochemical generation of sulfur vacancies in the basal plane of MoS2 for hydrogen evolution

PubMed Central

Tsai, Charlie; Li, Hong; Park, Sangwook; Park, Joonsuk; Han, Hyun Soo; Nørskov, Jens K.; Zheng, Xiaolin; Abild-Pedersen, Frank

2017-01-01

Recently, sulfur (S)-vacancies created on the basal plane of 2H-molybdenum disulfide (MoS2) using argon plasma exposure exhibited higher intrinsic activity for the electrochemical hydrogen evolution reaction than the edge sites and metallic 1T-phase of MoS2 catalysts. However, a more industrially viable alternative to the argon plasma desulfurization process is needed. In this work, we introduce a scalable route towards generating S-vacancies on the MoS2 basal plane using electrochemical desulfurization. Even though sulfur atoms on the basal plane are known to be stable and inert, we find that they can be electrochemically reduced under accessible applied potentials. This can be done on various 2H-MoS2 nanostructures. By changing the applied desulfurization potential, the extent of desulfurization and the resulting activity can be varied. The resulting active sites are stable under extended desulfurization durations and show consistent HER activity. PMID:28429782

Electrochemical generation of sulfur vacancies in the basal plane of MoS2 for hydrogen evolution

DOE PAGES

Tsai, Charlie; Li, Hong; Park, Sangwook; ...

2017-04-21

Recently, sulfur (S)-vacancies created on the basal plane of 2H-molybdenum disulfide (MoS 2) using argon plasma exposure exhibited higher intrinsic activity for the electrochemical hydrogen evolution reaction than the edge sites and metallic 1T-phase of MoS 2 catalysts. But, a more industrially viable alternative to the argon plasma desulfurization process is needed. In this work, we introduce a scalable route towards generating S-vacancies on the MoS 2 basal plane using electrochemical desulfurization. We found that they can be electrochemically reduced under accessible applied potentials, even though sulfur atoms on the basal plane are known to be stable and inert. Thismore » can be done on various 2H-MoS 2 nanostructures. Furthermore, by changing the applied desulfurization potential, the extent of desulfurization and the resulting activity can be varied. The resulting active sites are stable under extended desulfurization durations and show consistent HER activity.« less

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.

Mixed linear-nonlinear fault slip inversion: Bayesian inference of model, weighting, and smoothing parameters

NASA Astrophysics Data System (ADS)

Fukuda, J.; Johnson, K. M.

2009-12-01

Studies utilizing inversions of geodetic data for the spatial distribution of coseismic slip on faults typically present the result as a single fault plane and slip distribution. Commonly the geometry of the fault plane is assumed to be known a priori and the data are inverted for slip. However, sometimes there is not strong a priori information on the geometry of the fault that produced the earthquake and the data is not always strong enough to completely resolve the fault geometry. We develop a method to solve for the full posterior probability distribution of fault slip and fault geometry parameters in a Bayesian framework using Monte Carlo methods. The slip inversion problem is particularly challenging because it often involves multiple data sets with unknown relative weights (e.g. InSAR, GPS), model parameters that are related linearly (slip) and nonlinearly (fault geometry) through the theoretical model to surface observations, prior information on model parameters, and a regularization prior to stabilize the inversion. We present the theoretical framework and solution method for a Bayesian inversion that can handle all of these aspects of the problem. The method handles the mixed linear/nonlinear nature of the problem through combination of both analytical least-squares solutions and Monte Carlo methods. We first illustrate and validate the inversion scheme using synthetic data sets. We then apply the method to inversion of geodetic data from the 2003 M6.6 San Simeon, California earthquake. We show that the uncertainty in strike and dip of the fault plane is over 20 degrees. We characterize the uncertainty in the slip estimate with a volume around the mean fault solution in which the slip most likely occurred. Slip likely occurred somewhere in a volume that extends 5-10 km in either direction normal to the fault plane. We implement slip inversions with both traditional, kinematic smoothing constraints on slip and a simple physical condition of uniform stress drop.

Fault Identification by Unsupervised Learning Algorithm

NASA Astrophysics Data System (ADS)

Nandan, S.; Mannu, U.

2012-12-01

Contemporary fault identification techniques predominantly rely on the surface expression of the fault. This biased observation is inadequate to yield detailed fault structures in areas with surface cover like cities deserts vegetation etc and the changes in fault patterns with depth. Furthermore it is difficult to estimate faults structure which do not generate any surface rupture. Many disastrous events have been attributed to these blind faults. Faults and earthquakes are very closely related as earthquakes occur on faults and faults grow by accumulation of coseismic rupture. For a better seismic risk evaluation it is imperative to recognize and map these faults. We implement a novel approach to identify seismically active fault planes from three dimensional hypocenter distribution by making use of unsupervised learning algorithms. We employ K-means clustering algorithm and Expectation Maximization (EM) algorithm modified to identify planar structures in spatial distribution of hypocenter after filtering out isolated events. We examine difference in the faults reconstructed by deterministic assignment in K- means and probabilistic assignment in EM algorithm. The method is conceptually identical to methodologies developed by Ouillion et al (2008, 2010) and has been extensively tested on synthetic data. We determined the sensitivity of the methodology to uncertainties in hypocenter location, density of clustering and cross cutting fault structures. The method has been applied to datasets from two contrasting regions. While Kumaon Himalaya is a convergent plate boundary, Koyna-Warna lies in middle of the Indian Plate but has a history of triggered seismicity. The reconstructed faults were validated by examining the fault orientation of mapped faults and the focal mechanism of these events determined through waveform inversion. The reconstructed faults could be used to solve the fault plane ambiguity in focal mechanism determination and constrain the fault orientations for finite source inversions. The faults produced by the method exhibited good correlation with the fault planes obtained by focal mechanism solutions and previously mapped faults.

Probing surface charge potentials of clay basal planes and edges by direct force measurements.

PubMed

Zhao, Hongying; Bhattacharjee, Subir; Chow, Ross; Wallace, Dean; Masliyah, Jacob H; Xu, Zhenghe

2008-11-18

The dispersion and gelation of clay suspensions have major impact on a number of industries, such as ceramic and composite materials processing, paper making, cement production, and consumer product formulation. To fundamentally understand controlling mechanisms of clay dispersion and gelation, it is necessary to study anisotropic surface charge properties and colloidal interactions of clay particles. In this study, a colloidal probe technique was employed to study the interaction forces between a silica probe and clay basal plane/edge surfaces. A muscovite mica was used as a representative of 2:1 phyllosilicate clay minerals. The muscovite basal plane was prepared by cleavage, while the edge surface was obtained by a microtome cutting technique. Direct force measurements demonstrated the anisotropic surface charge properties of the basal plane and edge surface. For the basal plane, the long-range forces were monotonically repulsive within pH 6-10 and the measured forces were pH-independent, thereby confirming that clay basal planes have permanent surface charge from isomorphic substitution of lattice elements. The measured interaction forces were fitted well with the classical DLVO theory. The surface potentials of muscovite basal plane derived from the measured force profiles were in good agreement with those reported in the literature. In the case of edge surfaces, the measured forces were monotonically repulsive at pH 10, decreasing with pH, and changed to be attractive at pH 5.6, strongly suggesting that the charge on the clay edge surfaces is pH-dependent. The measured force profiles could not be reasonably fitted with the classical DLVO theory, even with very small surface potential values, unless the surface roughness was considered. The surface element integration (SEI) method was used to calculate the DLVO forces to account for the surface roughness. The surface potentials of the muscovite edges were derived by fitting the measured force profiles with the surface element integrated DLVO model. The point of zero charge of the muscovite edge surface was estimated to be pH 7-8.

Analysis of Fault Spacing in Thrust-Belt Wedges Using Numerical Modeling

NASA Astrophysics Data System (ADS)

Regensburger, P. V.; Ito, G.

2017-12-01

Numerical modeling is invaluable in studying the mechanical processes governing the evolution of geologic features such as thrust-belt wedges. The mechanisms controlling thrust fault spacing in wedges is not well understood. Our numerical model treats the thrust belt as a visco-elastic-plastic continuum and uses a finite-difference, marker-in-cell method to solve for conservation of mass and momentum. From these conservation laws, stress is calculated and Byerlee's law is used to determine the shear stress required for a fault to form. Each model consists of a layer of crust, initially 3-km-thick, carried on top of a basal décollement, which moves at a constant speed towards a rigid backstop. A series of models were run with varied material properties, focusing on the angle of basal friction at the décollement, the angle of friction within the crust, and the cohesion of the crust. We investigate how these properties affected the spacing between thrusts that have the most time-integrated history of slip and therefore have the greatest effect on the large-scale undulations in surface topography. The surface position of these faults, which extend through most of the crustal layer, are identifiable as local maxima in positive curvature of surface topography. Tracking the temporal evolution of faults, we find that thrust blocks are widest when they first form at the front of the wedge and then they tend to contract over time as more crustal material is carried to the wedge. Within each model, thrust blocks form with similar initial widths, but individual thrust blocks develop differently and may approach an asymptotic width over time. The median of thrust block widths across the whole wedge tends to decrease with time. Median fault spacing shows a positive correlation with both wedge cohesion and internal friction. In contrast, median fault spacing exhibits a negative correlation at small angles of basal friction (<17˚) and a positive correlation with larger angles of basal friction. From these correlations, we will derive scaling laws that can be used to predict fault spacing in thrust-belt wedges.

Influence of slip-surface geometry on earth-flow deformation, Montaguto earth flow, southern Italy

USGS Publications Warehouse

Guerriero, L.; Coe, Jeffrey A.; Revellio, P.; Grelle, G.; Pinto, F.; Guadagno, F.

2016-01-01

We investigated relations between slip-surface geometry and deformational structures and hydrologic features at the Montaguto earth flow in southern Italy between 1954 and 2010. We used 25 boreholes, 15 static cone-penetration tests, and 22 shallow-seismic profiles to define the geometry of basal- and lateral-slip surfaces; and 9 multitemporal maps to quantify the spatial and temporal distribution of normal faults, thrust faults, back-tilted surfaces, strike-slip faults, flank ridges, folds, ponds, and springs. We infer that the slip surface is a repeating series of steeply sloping surfaces (risers) and gently sloping surfaces (treads). Stretching of earth-flow material created normal faults at risers, and shortening of earth-flow material created thrust faults, back-tilted surfaces, and ponds at treads. Individual pairs of risers and treads formed quasi-discrete kinematic zones within the earth flow that operated in unison to transmit pulses of sediment along the length of the flow. The locations of strike-slip faults, flank ridges, and folds were not controlled by basal-slip surface topography but were instead dependent on earth-flow volume and lateral changes in the direction of the earth-flow travel path. The earth-flow travel path was strongly influenced by inactive earth-flow deposits and pre-earth-flow drainages whose positions were determined by tectonic structures. The implications of our results that may be applicable to other earth flows are that structures with strikes normal to the direction of earth-flow motion (e.g., normal faults and thrust faults) can be used as a guide to the geometry of basal-slip surfaces, but that depths to the slip surface (i.e., the thickness of an earth flow) will vary as sediment pulses are transmitted through a flow.

Developing framework to constrain the geometry of the seismic rupture plane on subduction interfaces a priori - A probabilistic approach

USGS Publications Warehouse

Hayes, G.P.; Wald, D.J.

2009-01-01

A key step in many earthquake source inversions requires knowledge of the geometry of the fault surface on which the earthquake occurred. Our knowledge of this surface is often uncertain, however, and as a result fault geometry misinterpretation can map into significant error in the final temporal and spatial slip patterns of these inversions. Relying solely on an initial hypocentre and CMT mechanism can be problematic when establishing rupture characteristics needed for rapid tsunami and ground shaking estimates. Here, we attempt to improve the quality of fast finite-fault inversion results by combining several independent and complementary data sets to more accurately constrain the geometry of the seismic rupture plane of subducting slabs. Unlike previous analyses aimed at defining the general form of the plate interface, we require mechanisms and locations of the seismicity considered in our inversions to be consistent with their occurrence on the plate interface, by limiting events to those with well-constrained depths and with CMT solutions indicative of shallow-dip thrust faulting. We construct probability density functions about each location based on formal assumptions of their depth uncertainty and use these constraints to solve for the ‘most-likely’ fault plane. Examples are shown for the trench in the source region of the Mw 8.6 Southern Sumatra earthquake of March 2005, and for the Northern Chile Trench in the source region of the November 2007 Antofagasta earthquake. We also show examples using only the historic catalogues in regions without recent great earthquakes, such as the Japan and Kamchatka Trenches. In most cases, this method produces a fault plane that is more consistent with all of the data available than is the plane implied by the initial hypocentre and CMT mechanism. Using the aggregated data sets, we have developed an algorithm to rapidly determine more accurate initial fault plane geometries for source inversions of future earthquakes.

Seismic and geodetic signatures of fault slip at the Slumgullion Landslide Natural Laboratory

USGS Publications Warehouse

Gomberg, J.; Schulz, W.; Bodin, P.; Kean, J.

2011-01-01

We tested the hypothesis that the Slumgullion landslide is a useful natural laboratory for observing fault slip, specifically that slip along its basal surface and side-bounding strike-slip faults occurs with comparable richness of aseismic and seismic modes as along crustal- and plate-scale boundaries. Our study provides new constraints on models governing landslide motion. We monitored landslide deformation with temporary deployments of a 29-element prism array surveyed by a robotic theodolite and an 88-station seismic network that complemented permanent extensometers and environmental instrumentation. Aseismic deformation observations show that large blocks of the landslide move steadily at approximately centimeters per day, possibly punctuated by variations of a few millimeters, while localized transient slip episodes of blocks less than a few tens of meters across occur frequently. We recorded a rich variety of seismic signals, nearly all of which originated outside the monitoring network boundaries or from the side-bounding strike-slip faults. The landslide basal surface beneath our seismic network likely slipped almost completely aseismically. Our results provide independent corroboration of previous inferences that dilatant strengthening along sections of the side-bounding strike-slip faults controls the overall landslide motion, acting as seismically radiating brakes that limit acceleration of the aseismically slipping basal surface. Dilatant strengthening has also been invoked in recent models of transient slip and tremor sources along crustal- and plate-scale faults suggesting that the landslide may indeed be a useful natural laboratory for testing predictions of specific mechanisms that control fault slip at all scales.

Determine Earthquake Rupture Directivity Using Taiwan TSMIP Strong Motion Waveforms

NASA Astrophysics Data System (ADS)

Chang, Kaiwen; Chi, Wu-Cheng; Lai, Ying-Ju; Gung, YuanCheng

2013-04-01

Inverting seismic waveforms for the finite fault source parameters is important for studying the physics of earthquake rupture processes. It is also significant to image seismogenic structures in urban areas. Here we analyze the finite-source process and test for the causative fault plane using the accelerograms recorded by the Taiwan Strong-Motion Instrumentation Program (TSMIP) stations. The point source parameters for the mainshock and aftershocks were first obtained by complete waveform moment tensor inversions. We then use the seismograms generated by the aftershocks as empirical Green's functions (EGFs) to retrieve the apparent source time functions (ASTFs) of near-field stations using projected Landweber deconvolution approach. The method for identifying the fault plane relies on the spatial patterns of the apparent source time function durations which depend on the angle between rupture direction and the take-off angle and azimuth of the ray. These derived duration patterns then are compared with the theoretical patterns, which are functions of the following parameters, including focal depth, epicentral distance, average crustal 1D velocity, fault plane attitude, and rupture direction on the fault plane. As a result, the ASTFs derived from EGFs can be used to infer the ruptured fault plane and the rupture direction. Finally we used part of the catalogs to study important seismogenic structures in the area near Chiayi, Taiwan, where a damaging earthquake has occurred about a century ago. The preliminary results show a strike-slip earthquake on 22 October 1999 (Mw 5.6) has ruptured unilaterally toward SSW on a sub-vertical fault. The procedure developed from this study can be applied to other strong motion waveforms recorded from other earthquakes to better understand their kinematic source parameters.

Focal mechanisms and tidal modulation for tectonic tremors in Taiwan

NASA Astrophysics Data System (ADS)

Ide, S.; Yabe, S.; Tai, H. J.; Chen, K. H.

2015-12-01

Tectonic tremors in Taiwan have been discovered beneath the southern Central Range, but their hosting structure has been unknown. Here we constrain the focal mechanism of underground deformation related to tremors, using moment tensor inversion in the very low frequency band and tidal stress analysis. Three types of seismic data are used for two analysis steps: detection of tremors and the moment tensor inversion. Short-period seismograms from CWBSN are used for tremor detection. Broadband seismograms from BATS and the TAIGER project are used for both steps. About 1000 tremors were detected using an envelope correlation method in the high frequency band (2-8 Hz). Broadband seismograms are stacked relative to the tremor timing, and inverted for a moment tensor in the low frequency band (0.02-0.05 Hz). The best solution was obtained at 32 km depth, as a double-couple consistent with a low-angle thrust fault dipping to the east-southeast, or a high-angle thrust with a south-southwest strike. Almost all tremors occur when tidal shear stress is positive and normal stress is negative (clamping). Since the clamping stress is high for a high-angle thrust fault, the low-angle thrust fault is more likely to be the fault plane. Tremor rate increases non-linearly with increasing shear stress, suggesting a velocity strengthening friction law. The high tidal sensitivity is inconsistent with horizontal slip motion suggested by previous studies, and normal faults that dominates regional shallow earthquakes. Our results favor thrust slip on a low-angle fault dipping to the east-southeast, consistent with the subduction of the Eurasian plate. The tremor region is characterized by a deep thermal anomaly with decrease normal stress. This region has also experienced enough subduction to produce metamorphic fluids. A large amount of fluid and low vertical stress may explain the high tidal sensitivity.

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.

Relocation of the 2010-2013 near the north coast of Papua earthquake sequence using Modified Joint Hypocenter Determination (MJHD) method

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

Salomo, Dimas, E-mail: dimas.salomo@gmail.com; Daryono,; Subakti, Hendri

The accuracy of earthquake hypocenter position is necessary to analyze the tectonic conditions. This study aims to: (1) relocate the mainshock and aftershocks of the large earthquakes in Papua region i.e. June 16, 2010, April 21, 2012 and April 06, 2013 earthquake (2) determine the true fault plane, (3) estimate the area of the fracture, and (4) analyze the advantages and disadvantages of relocation with MJHD method in benefits for tectonic studies. This study used Modified Joint Hypocenter Determination (MJHD) method. Using P arrival phase data reported by the BMKG and openly available from website repogempa.bmkg.go.id, we relocated the mainshockmore » of this large significant earthquake and its aftershocks. Then we identified the prefered fault planes from the candidate fault planes provided by the global CMT catalogue. The position of earthquakes was successfully relocated. The earthquakes mostly were clustered around the mainshock. Earthquakes that not clustered around mainshock are considered to be different mechanism from the mainshock. Relocation results indicate that the mainshock fault plane of June 16, 2010 earthquake is a field with strike 332o, dip 80o and −172o slip, the mainshock fault plane of April 21, 2012 earthquake is a field with strike 82o, dip 84o and 2o slip, the mainshock fault plane of April 06, 2013 earthquake is a field with strike 339o, dip 56o and −137o slip. Fault plane area estimated by cross section graphical method is an area of 2816.0 km2 (June 16, 2010), 906.2 km2 (April 21, 2012) and 1984.3 km2 (April 06, 2013). MJHD method has the advantage that it can calculate a lot of earthquakes simultaneously and has a station correction to account for lateral heterogeneity of the earth. This method successfully provides significant changes to improve the position of the depth of earthquakes that most of the hypocenter depth manually specified as a fixed depth (± 10 km). But this method cannot be sure that the hypocenters derived from the same earthquake mechanism.« less

Fault and fracture patterns in low porosity chalk and their potential influence on sub-surface fluid flow-A case study from Flamborough Head, UK

NASA Astrophysics Data System (ADS)

Sagi, D. A.; De Paola, N.; McCaffrey, K. J. W.; Holdsworth, R. E.

2016-10-01

To better understand fault zone architecture and fluid flow in mesoscale fault zones, we studied normal faults in chalks with displacements up to 20 m, at two representative localities in Flamborough Head (UK). At the first locality, chalk contains cm-thick, interlayered marl horizons, whereas at the second locality marl horizons were largely absent. Cm-scale displacement faults at both localities display ramp-flat geometries. Mesoscale fault patterns in the marl-free chalk, including a larger displacement fault (20 m) containing multiple fault strands, show widespread evidence of hydraulically-brecciated rocks, whereas clays smears along fault planes, and injected into open fractures, and a simpler fault zone architecture is observed where marl horizons are present. Hydraulic brecciation and veins observed in the marl-free chalk units suggest that mesoscale fault patterns acted as localized fault conduit allowing for widespread fluid flow. On the other hand, mesoscale fault patterns developed in highly fractured chalk, which contains interlayered marl horizons can act as localized barriers to fluid flow, due to the sealing effect of clays smears along fault planes and introduced into open fractures in the damage zone. To support our field observations, quantitative analyses carried out on the large faults suggest a simple fault zone in the chalk with marl units with fracture density/connectivity decreasing towards the protolith. Where marls are absent, density is high throughout the fault zone, while connectivity is high only in domains nearest the fault core. We suggest that fluid flow in fractured chalk is especially influenced by the presence of marls. When present, it can smear onto fault planes, forming localised barriers. Fluid flow along relatively large displacement faults is additionally controlled by the complexity of the fault zone, especially the size/geometry of weakly and intensely connected damage zone domains.

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.

The Origin of High-angle Dip-slip Earthquakes at Geothermal Fields in California

NASA Astrophysics Data System (ADS)

Barbour, A. J.; Schoenball, M.; Martínez-Garzón, P.; Kwiatek, G.

2016-12-01

We examine the source mechanisms of earthquakes occurring in three California geothermal fields: The Geysers, Salton Sea, and Coso. We find source mechanisms ranging from strike slip faulting, consistent with the tectonic settings, to dip slip with unusually steep dip angles which are inconsistent with local structures. For example, we identify a fault zone in the Salton Sea Geothermal Field imaged using precisely-relocated hypocenters with a dip angle of 60° yet double-couple focal mechanisms indicate higher-angle dip-slip on ≥75° dipping planes. We observe considerable temporal variability in the distribution of source mechanisms. For example, at the Salton Sea we find that the number of high angle dip-slip events increased after 1989, when net-extraction rates were highest. There is a concurrent decline in strike-slip and strike-slip-normal faulting, the mechanisms expected from regional tectonics. These unusual focal mechanisms and their spatio-temporal patterns are enigmatic in terms of our understanding of faulting in geothermal regions. While near-vertical fault planes are expected to slip in a strike-slip sense, and dip slip is expected to occur on moderately dipping faults, we observe dip slip on near-vertical fault planes. However, for plausible stress states and accounting for geothermal production, the resolved fault planes should be stable. We systematically analyze the source mechanisms of these earthquakes using full moment tensor inversion to understand the constraints imposed by assuming a double-couple source. Applied to The Geysers field, we find a significant reduction in the number of high-angle dip-slip mechanisms using the full moment tensor. The remaining mechanisms displaying high-angle dip-slip could be consistent with faults accommodating subsidence and compaction associated with volumetric strain changes in the geothermal reservoir.

Fluid-rock interaction during a large earthquake recorded in fault gouge: A case study of the Nojima fault, Japan

NASA Astrophysics Data System (ADS)

Bian, D.; Lin, A.

2016-12-01

Distinguishing the seismic ruptures during the earthquake from a lot of fractures in borehole core is very important to understand rupture processes and seismic efficiency. In particular, a great earthquake like the 1995 Mw 7.2 Kobe earthquake, but again, evidence has been limited to the grain size analysis and the color of fault gouge. In the past two decades, increasing geological evidence has emerged that seismic faults and shear zones within the middle to upper crust play a crucial role in controlling the architectures of crustal fluid migration. Rock-fluid interactions along seismogenic faults give us a chance to find the seismic ruptures from the same event. Recently, a new project of "Drilling into Fault Damage Zone" has being conducted by Kyoto University on the Nojima Fault again after 20 years of the 1995 Kobe earthquake for an integrated multidisciplinary study on the assessment of activity of active faults involving active tectonics, geochemistry and geochronology of active fault zones. In this work, we report on the signature of slip plane inside the Nojima Fault associated with individual earthquakes on the basis of trace element and isotope analyses. Trace element concentrations and 87Sr/86Sr ratios of fault gouge and host rocks were determined by an inductively coupled plasma mass spectrometer (ICP-MS) and thermal ionization mass spectrometry (TIMS). Samples were collected from two trenches and an outcrop of Nojima Fault which. Based on the geochemical result, we interpret these geochemical results in terms of fluid-rock interactions recorded in fault friction during earthquake. The trace-element enrichment pattern of the slip plane can be explained by fluid-rock interactions at high temperature. It also can help us find the main coseismic fault slipping plane inside the thick fault gouge zone.

Deformation of the Pacific Plate above the Alpine fault ramp and its relationship to expulsion of metamorphic fluids: An array of backshears

NASA Astrophysics Data System (ADS)

Wightman, Ruth H.; Little, Timothy A.

A ˜2 km-wide array of near-vertical backshears in the central Southern Alps, New Zealand, is interpreted to have slipped in an escalator-like way to up-ramp the Pacific Plate onto the Alpine Fault ramp, and to play an important role in channelling metamorphic fluids upward through this active orogen. The oblique-slip backshears formed in the lower crust, are evenly spaced (˜30 cm), and have an average offset of 14 cm that is brittle to ductile and extend over 500 m in vertical length. Cumulative vertical displacements suggest that the causative ramp-step in the Alpine Fault at depth had an angle of 22±8°. Microscale shearing between the backshears probably accomplished additional crustal tilting to ˜45°. We infer this shearing was focused above the basal ramp-step, was transient, and aseismic. Focal mechanisms of earthquakes in the Southern Alps suggest that similar backshearing may be accumulating at depth today, where it is linked to seismic-slip on upper crustal faults. Fluid was integral to the formation and accumulation of shear along the backshears. Near-lithostatic fluid pressures triggered deep, brittle shear failure (>20 km). The steep, dilative backshears allowed these fluids to escape upwards through low permeability (1 × 10-18m2) schist. Fluid expulsion may thus have accomplished a devolatilisation and rheological strengthening along the Alpine mylonite source region at depth, while also causing a hydrolytic weakening of the fluid-invaded rocks (especially quartz veins) in the Pacific Plate. These coupled strength changes may have enhanced the local partitioning of deformation onto steep planes in the Alpine Fault hangingwall.

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.

The Pietra Grande thrust (Brenta Dolomites, Italy): looking for co-seismic indicators along a main fault in carbonate sequences

NASA Astrophysics Data System (ADS)

Viganò, Alfio; Tumiati, Simone; Martin, Silvana; Rigo, Manuel

2013-04-01

At present, pseudotachylytes (i.e. solidified frictional melts) are the only unambiguous geological record of seismic faulting. Even if pseudotachylytes are frequently observed along faults within crystalline rocks they are discovered along carbonate faults in very few cases only, suggesting that other chemico-physical processes than melting could occur (e.g. thermal decomposition). In order to investigate possible co-seismic indicators we study the Pietra Grande thrust, a carbonate fault in the Brenta Dolomites (Trentino, NE Italy), to analyse field structure, microtextures and composition of rocks from the principal slip plane, the fault core and the damage zone. The Pietra Grande thrust is developed within limestones and dolomitic limestones of Late Triassic-Early Jurassic age (Calcari di Zu and Monte Zugna Formations). The thrust, interpreted as a north-vergent décollement deeply connected with the major Cima Tosa thrust, is a sub-horizontal fault plane gently dipping to the North that mainly separates the massive Monte Zugna Fm. limestones (upper side) from the stratified Calcari di Zu Fm. limestones with intercalated marls (lower side). On the western face of the Pietra Grande klippe the thrust is continuously well-exposed for about 1 km. The main fault plane shows reddish infillings, which form veins with thicknesses between few millimetres to several decimetres. These red veins lie parallel to the thrust plane or in same cases inject lateral fractures and minor high-angle faults departing from the main fault plane. Veins have carbonate composition and show textures characterized by fine-grained reddish matrix with embedded carbonate clasts of different size (from few millimetres to centimetres). In some portions carbonate boulders (dimension of some decimetres) are embedded in the red matrix, while clast content generally significantly decreases at the vein borders (chilled margins). Red veins are typically associated with cohesive cataclasites and/or breccias of the fault zone. Host and fault rocks are locally folded, with fold axes having a rough E-W direction compatible with simultaneous thrust activation, suggesting deformation under brittle-ductile conditions. A late brittle deformation is testified by near-vertical fractures and strike-slip faults (WNW-directed) intersecting the whole thrust system. Field structure, microtextures, chemical and mineralogical compositions of host rocks, cataclasites and breccias are analysed. In particular, red veins are carefully compared with the very similar Grigne carbonate pseudotachylytes (Viganò et al. 2011, Terra Nova, vol. 23, pp.187-194), in order to evaluate if they could represent a certain geological record of seismic faulting of the Pietra Grande thrust.

Wideband analytical equivalent circuit for one-dimensional periodic stacked arrays.

PubMed

Molero, Carlos; Rodríguez-Berral, Raúl; Mesa, Francisco; Medina, Francisco; Yakovlev, Alexander B

2016-01-01

A wideband equivalent circuit is proposed for the accurate analysis of scattering from a set of stacked slit gratings illuminated by a plane wave with transverse magnetic or electric polarization that impinges normally or obliquely along one of the principal planes of the structure. The slit gratings are printed on dielectric slabs of arbitrary thickness, including the case of closely spaced gratings that interact by higher-order modes. A Π-circuit topology is obtained for a pair of coupled arrays, with fully analytical expressions for all the circuit elements. This equivalent Π circuit is employed as the basis to derive the equivalent circuit of finite stacks with any given number of gratings. Analytical expressions for the Brillouin diagram and the Bloch impedance are also obtained for infinite periodic stacks.

Lubrication of dislocation glide in MgO by hydrous defects

NASA Astrophysics Data System (ADS)

Skelton, Richard; Walker, Andrew M.

2018-02-01

Water-related defects, principally in the form of protonated cation vacancies, are potentially able to weaken minerals under high-stress or low-temperature conditions by reducing the Peierls stress required to initiate dislocation glide. In this study, we use the Peierls-Nabarro (PN) model to determine the effect of protonated Mg vacancies on the 1/2<110>{110} and 1/2<110>{100} slip systems in MgO. This PN model is parameterized using generalized stacking fault energies calculated using plane-wave density functional theory, with and without protonated Mg vacancies present at the glide plane. It found that these defects increase dislocation core widths and reduce the Peierls stress over the entire pressure range 0-125 GPa. Furthermore, 1/2<110>{110} slip is found to be more sensitive to the presence of protonated vacancies which increases in the pressure at which {100} becomes the easy glide plane for 1/2<110> screw dislocations. These results demonstrate, for a simple mineral system, that water-related defects can alter the deformation behavior of minerals in the glide-creep regime by reducing the stress required to move dislocations by glide. (Mg, Fe)O is the most anisotropic mineral in the Earth's lower mantle, so the differential sensitivity of the major slip systems in MgO to hydrous defects has potential implications for the interpretation of the seismic anisotropy in this region.

Formation mechanisms for the dominant kinks with different angles in InP nanowires.

PubMed

Zhang, Minghuan; Wang, Fengyun; Wang, Chao; Wang, Yiqian; Yip, SenPo; Ho, Johnny C

2014-01-01

The morphologies and microstructures of kinked InP nanowires (NWs) prepared by solid-source chemical vapor deposition method were examined using scanning electron microscopy (SEM) and high-resolution transmission electron microscopy (HRTEM). Statistical analysis and structural characterization reveal that four different kinds of kinks are dominant in the grown InP NWs with a bending angle of approximately 70°, 90°, 110°, and 170°, respectively. The formation mechanisms of these kinks are discussed. Specifically, the existence of kinks with bending angles of approximately 70° and 110° are mainly attributed to the occurrence of stacking faults and nanotwins in the NWs, which could easily form by the glide of {111} planes, while approximately 90° kinks result from the local amorphorization of InP NWs. Also, approximately 170° kinks are mainly caused by small-angle boundaries, where the insertion of extra atomic planes could make the NWs slightly bent. In addition, multiple kinks with various angles are also observed. Importantly, all these results are beneficial to understand the formation mechanisms of kinks in compound semiconductor NWs, which could guide the design of nanostructured materials, morphologies, microstructures, and/or enhanced mechanical properties.

Formation mechanisms for the dominant kinks with different angles in InP nanowires

PubMed Central

2014-01-01

The morphologies and microstructures of kinked InP nanowires (NWs) prepared by solid-source chemical vapor deposition method were examined using scanning electron microscopy (SEM) and high-resolution transmission electron microscopy (HRTEM). Statistical analysis and structural characterization reveal that four different kinds of kinks are dominant in the grown InP NWs with a bending angle of approximately 70°, 90°, 110°, and 170°, respectively. The formation mechanisms of these kinks are discussed. Specifically, the existence of kinks with bending angles of approximately 70° and 110° are mainly attributed to the occurrence of stacking faults and nanotwins in the NWs, which could easily form by the glide of {111} planes, while approximately 90° kinks result from the local amorphorization of InP NWs. Also, approximately 170° kinks are mainly caused by small-angle boundaries, where the insertion of extra atomic planes could make the NWs slightly bent. In addition, multiple kinks with various angles are also observed. Importantly, all these results are beneficial to understand the formation mechanisms of kinks in compound semiconductor NWs, which could guide the design of nanostructured materials, morphologies, microstructures, and/or enhanced mechanical properties. PMID:24910572

Crystal-chemical characteristics of nontronites from bottom sediments of Pacific ocean

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

Palchik, N. A., E-mail: nadezhda@igm.nsc.ru; Moroz, T. N.; Grigorieva, T. N.

A crystal-chemical analysis of the nontronite samples formed in deep-water sediments of the underwater Juan-de-Fuca ridge in the Pacific ocean has been performed using powder X-ray diffraction, IR spectroscopy, and Mössbauer spectroscopy. A comparison with the previously investigated nontronites from different regions of the Sea of Okhotsk showed that the structural features of these formations are due to the difference in the physicochemical parameters of their crystallization. The values of the basal interplanar spacing d{sub 001} (within 11–13 Å) in the samples analyzed are determined by the degree of hydration and cation filling of the interlayer space, while the differencesmore » in the IR spectra are due to isomorphic substitutions in the structure. The character of cation distribution and the nature and concentration of stacking faults in nontronite structures are determined. The differences in the composition, structure, and properties of nontronites of different origin are confirmed by theoretical calculations of their structural parameters.« less

Marine Terrace Deposits along the Mediterranean Coast on the Southeastern Turkey and Their Implications for Tectonic Uplift and Sea Level Change

NASA Astrophysics Data System (ADS)

Tari, U.; Tüysüz, O.; Blackwell, B. A. B.; Genç, Ş. C.; Florentin, J. A.; Mahmud, Z.; Li, G. L.; Blickstein, J. I. B.; Skinner, A. R.

2016-12-01

Tectonic movements among the African, Arabian and Anatolian Plates have deformed the eastern Mediterranean. These movements caused transtensional opening of the NE-trending Antakya Graben since the late Pliocene. Tectonic uplift coupled with Quaternary sealevel fluctuations has produced several stacked marine terraces along the Mediterranean coasts on the graben. Here, marine terrace deposits that sit on both flanks of the graben at elevations between 3 and 175 m were dated using electron spin resonance (ESR) method in order to calculate uplift rates. The ESR ages range from 12 ka in late MIS 2 to 457 ka in MIS 9-11, but most of the terraces contain molluscs reworked from several earlier deposits due to successive tectonic movements and sealevel fluctuations. By dating in situ fossils, along the basal contacts of the marine terraces, uplift rates were calculated on both sides of the Antakya Graben. Results indicate that these deposits were mainly uplifted by local active faults rather than regional movements.

EBSD analysis of subgrain boundaries and dislocation slip systems in Antarctic and Greenland ice

NASA Astrophysics Data System (ADS)

Weikusat, Ilka; Kuiper, Ernst-Jan N.; Pennock, Gill M.; Kipfstuhl, Sepp; Drury, Martyn R.

2017-09-01

Ice has a very high plastic anisotropy with easy dislocation glide on basal planes, while glide on non-basal planes is much harder. Basal glide involves dislocations with the Burgers vector b = 〈a〉, while glide on non-basal planes can involve dislocations with b = 〈a〉, b = [c], and b = 〈c + a〉. During the natural ductile flow of polar ice sheets, most of the deformation is expected to occur by basal slip accommodated by other processes, including non-basal slip and grain boundary processes. However, the importance of different accommodating processes is controversial. The recent application of micro-diffraction analysis methods to ice, such as X-ray Laue diffraction and electron backscattered diffraction (EBSD), has demonstrated that subgrain boundaries indicative of non-basal slip are present in naturally deformed ice, although so far the available data sets are limited. In this study we present an analysis of a large number of subgrain boundaries in ice core samples from one depth level from two deep ice cores from Antarctica (EPICA-DML deep ice core at 656 m of depth) and Greenland (NEEM deep ice core at 719 m of depth). EBSD provides information for the characterization of subgrain boundary types and on the dislocations that are likely to be present along the boundary. EBSD analyses, in combination with light microscopy measurements, are presented and interpreted in terms of the dislocation slip systems. The most common subgrain boundaries are indicative of basal 〈a〉 slip with an almost equal occurrence of subgrain boundaries indicative of prism [c] or 〈c + a〉 slip on prism and/or pyramidal planes. A few subgrain boundaries are indicative of prism 〈a〉 slip or slip of 〈a〉 screw dislocations on the basal plane. In addition to these classical polygonization processes that involve the recovery of dislocations into boundaries, alternative mechanisms are discussed for the formation of subgrain boundaries that are not related to the crystallography of the host grain.The finding that subgrain boundaries indicative of non-basal slip are as frequent as those indicating basal slip is surprising. Our evidence of frequent non-basal slip in naturally deformed polar ice core samples has important implications for discussions on ice about plasticity descriptions, rate-controlling processes which accommodate basal glide, and anisotropic ice flow descriptions of large ice masses with the wider perspective of sea level evolution.

Sulfur redox reactions on nanostructured highly oriented pyrolytic graphite (HOPG) electrodes: Direct evidence for superior electrocatalytic performance on defect sites

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

Wang, Gongwei; Zheng, Dong; Liu, Dan

Fundamental research of sulfur redox reactions on well-defined controlled model electrode surfaces can provide new information to design high-performance lithium-sulfur batteries. In this paper, we study the electrochemical reduction and oxidation of sulfur on the nanostructured HOPG electrodes with pure basal planes, step plans, and pure edge planes. Finally, our results directly indicate that electrochemical reduction and oxidation of sulfur is significantly affected by the carbon surface structure, namely, the electrochemical reversibility of sulfur redox reaction is much better on edge plane, compared with basal plane and step plane.

Sulfur redox reactions on nanostructured highly oriented pyrolytic graphite (HOPG) electrodes: Direct evidence for superior electrocatalytic performance on defect sites

DOE PAGES

Wang, Gongwei; Zheng, Dong; Liu, Dan; ...

2017-04-28

Fundamental research of sulfur redox reactions on well-defined controlled model electrode surfaces can provide new information to design high-performance lithium-sulfur batteries. In this paper, we study the electrochemical reduction and oxidation of sulfur on the nanostructured HOPG electrodes with pure basal planes, step plans, and pure edge planes. Finally, our results directly indicate that electrochemical reduction and oxidation of sulfur is significantly affected by the carbon surface structure, namely, the electrochemical reversibility of sulfur redox reaction is much better on edge plane, compared with basal plane and step plane.

On the effective stress law for rock-on-rock frictional sliding, and fault slip triggered by means of fluid injection.

PubMed

Rutter, Ernest; Hackston, Abigail

2017-09-28

Fluid injection into rocks is increasingly used for energy extraction and for fluid wastes disposal, and can trigger/induce small- to medium-scale seismicity. Fluctuations in pore fluid pressure may also be associated with natural seismicity. The energy release in anthropogenically induced seismicity is sensitive to amount and pressure of fluid injected, through the way that seismic moment release is related to slipped area, and is strongly affected by the hydraulic conductance of the faulted rock mass. Bearing in mind the scaling issues that apply, fluid injection-driven fault motion can be studied on laboratory-sized samples. Here, we investigate both stable and unstable induced fault slip on pre-cut planar surfaces in Darley Dale and Pennant sandstones, with or without granular gouge. They display contrasting permeabilities, differing by a factor of 10 5 , but mineralogies are broadly comparable. In permeable Darley Dale sandstone, fluid can access the fault plane through the rock matrix and the effective stress law is followed closely. Pore pressure change shifts the whole Mohr circle laterally. In tight Pennant sandstone, fluid only injects into the fault plane itself; stress state in the rock matrix is unaffected. Sudden access by overpressured fluid to the fault plane via hydrofracture causes seismogenic fault slips.This article is part of the themed issue 'Faulting, friction and weakening: from slow to fast motion'. © 2017 The Authors.

On the effective stress law for rock-on-rock frictional sliding, and fault slip triggered by means of fluid injection

NASA Astrophysics Data System (ADS)

Rutter, Ernest; Hackston, Abigail

2017-08-01

Fluid injection into rocks is increasingly used for energy extraction and for fluid wastes disposal, and can trigger/induce small- to medium-scale seismicity. Fluctuations in pore fluid pressure may also be associated with natural seismicity. The energy release in anthropogenically induced seismicity is sensitive to amount and pressure of fluid injected, through the way that seismic moment release is related to slipped area, and is strongly affected by the hydraulic conductance of the faulted rock mass. Bearing in mind the scaling issues that apply, fluid injection-driven fault motion can be studied on laboratory-sized samples. Here, we investigate both stable and unstable induced fault slip on pre-cut planar surfaces in Darley Dale and Pennant sandstones, with or without granular gouge. They display contrasting permeabilities, differing by a factor of 105, but mineralogies are broadly comparable. In permeable Darley Dale sandstone, fluid can access the fault plane through the rock matrix and the effective stress law is followed closely. Pore pressure change shifts the whole Mohr circle laterally. In tight Pennant sandstone, fluid only injects into the fault plane itself; stress state in the rock matrix is unaffected. Sudden access by overpressured fluid to the fault plane via hydrofracture causes seismogenic fault slips. This article is part of the themed issue 'Faulting, friction and weakening: from slow to fast motion'.

On the effective stress law for rock-on-rock frictional sliding, and fault slip triggered by means of fluid injection

PubMed Central

Hackston, Abigail

2017-01-01

Fluid injection into rocks is increasingly used for energy extraction and for fluid wastes disposal, and can trigger/induce small- to medium-scale seismicity. Fluctuations in pore fluid pressure may also be associated with natural seismicity. The energy release in anthropogenically induced seismicity is sensitive to amount and pressure of fluid injected, through the way that seismic moment release is related to slipped area, and is strongly affected by the hydraulic conductance of the faulted rock mass. Bearing in mind the scaling issues that apply, fluid injection-driven fault motion can be studied on laboratory-sized samples. Here, we investigate both stable and unstable induced fault slip on pre-cut planar surfaces in Darley Dale and Pennant sandstones, with or without granular gouge. They display contrasting permeabilities, differing by a factor of 105, but mineralogies are broadly comparable. In permeable Darley Dale sandstone, fluid can access the fault plane through the rock matrix and the effective stress law is followed closely. Pore pressure change shifts the whole Mohr circle laterally. In tight Pennant sandstone, fluid only injects into the fault plane itself; stress state in the rock matrix is unaffected. Sudden access by overpressured fluid to the fault plane via hydrofracture causes seismogenic fault slips. This article is part of the themed issue ‘Faulting, friction and weakening: from slow to fast motion’. PMID:28827423

A comparison of long-baseline strain data and fault creep records obtained near Hollister, California

USGS Publications Warehouse

Slater, L.E.; Burford, R.O.

1979-01-01

A comparison of creepmeter records from nine sites along a 12-km segment of the Calaveras fault near Hollister, California and long-baseline strain changes for nine lines in the Hollister multiwavelength distance-measuring (MWDM) array has established that episodes of large-scale deformation both preceded and accompanied periods of creep activity monitored along the fault trace during 1976. A concept of episodic, deep-seated aseismic slip that contributes to loading and subsequent aseismic failure of shallow parts of the fault plane seems attractive, implying that the character of aseismic slip sensed along the surface trace may be restricted to a relatively shallow (~ 1-km) region on the fault plane. Preliminary results from simple dislocation models designed to test the concept demonstrate that extending the time-histories and amplitudes of creep events sensed along the fault trace to depths of up to 10 km on the fault plane cannot simulate adequately the character and amplitudes of large-scale episodic movements observed at points more than 1 km from the fault. Properties of a 2-3-km-thick layer of unconsolidated sediments present in Hollister Valley, combined with an essentially rigid-block behavior in buried basement blocks, might be employed in the formulation of more appropriate models that could predict patterns of shallow fault creep and large-scale displacements much more like those actually observed. ?? 1979.

Transpressional Structure in Chiayi Area, Taiwan: Insight from the 2017 ML5.1 Zhongpu Earthquake Sequence

NASA Astrophysics Data System (ADS)

Feng, K. F.; Huang, H. H.

2017-12-01

The Chiayi area is located at the deformation front of active fold-and-thrust belt of Taiwan, where the fault system is composed primarily of a series of north-south-trending east-dipping thrusts and also an east-west-trending strike-slip fault (Meishan Fault, MSF) with right-lateral faulting. On 24th May 2017, a ML 5.1 earthquake occurred at Zhongpu, Chiayi (namely Zhongpu earthquake), however, shows a left-lateral strike-slip faulting distinct from the known structure in the area. The distribution of the reported aftershocks is difficult to distinguish the actual fault plane. To determine the fault plane of this abnormal earthquake and investigate its structural relationships to the regional tectonics, we relocate the earthquake sequence and estimate the rupture directivity of the mainshock by using the 3-D double difference hypocenter relocation method (Lin, 2013) and the 3-D directivity moment tensor inversion method (DMT, Huang et al., 2017, submitted). The DMT results show that the rupture directivity of the Zhongpu earthquake is west- and down-ward along the east-west fault plane, which also agrees with east-west-distributed aftershocks after relocation. As a result, the Zhongpu earthquake reveals an undiscovered east-west-trending structure which is sub-parallel with the MSF but with opposite faulting direction, exhibiting a complex transpressional tectonic regime in the Chiayi area.

Pressure Dependence of the Peierls Stress in Aluminum

NASA Astrophysics Data System (ADS)

Dang, Khanh; Spearot, Douglas

2018-03-01

The effect of pressure applied normal to the {111} slip plane on the Peierls stress in Al is studied via atomistic simulations. Edge, screw, 30°, and 60° straight dislocations are created using the Volterra displacement fields for isotropic elasticity. For each dislocation character angle, the Peierls stress is calculated based on the change in the internal energy, which is an invariant measure of the dislocation driving force. It is found that the Peierls stress for dislocations under zero pressure is in general agreement with previous results. For screw and 60° dislocations, the Peierls stress versus pressure relationship has maximum values associated with stacking fault widths that are multiples of the Peierls period. For the edge dislocation, the Peierls stress decreases with increasing pressure from tension to compression. Compared with the Mendelev potential, the Peierls stress calculated from the Mishin potential is more sensitive to changes in pressure.

Titanium induced polarity inversion in ordered (In,Ga)N/GaN nanocolumns.

PubMed

Kong, X; Li, H; Albert, S; Bengoechea-Encabo, A; Sanchez-Garcia, M A; Calleja, E; Draxl, C; Trampert, A

2016-02-12

We report on the formation of polarity inversion in ordered (In,Ga)N/GaN nanocolumns grown on a Ti-masked GaN-buffered sapphire substrate by plasma assisted molecular beam epitaxy. High-resolution transmission electron microscopy and electron energy-loss spectroscopy reveal a stacking fault-like planar defect at the homoepitaxial GaN interface due to Ti incorporation, triggering the generation of N-polar domains in Ga-polar nanocolumns. Density functional theory calculations are applied to clarify the atomic configurations of a Ti monolayer occupation on the GaN (0002) plane and to prove the inversion effect. The polarity inversion leads to an enhanced indium incorporation in the subsequent (In,Ga)N segment of the nanocolumn. This study provides a deeper understanding of the effects of Ti mask in the well-controlled selective area growth of (In,Ga)N/GaN nanocolumns.

Hierarchical Architecturing for Layered Thermoelectric Sulfides and Chalcogenides.

PubMed

Jood, Priyanka; Ohta, Michihiro

2015-03-16

Sulfides are promising candidates for environment-friendly and cost-effective thermoelectric materials. In this article, we review the recent progress in all-length-scale hierarchical architecturing for sulfides and chalcogenides, highlighting the key strategies used to enhance their thermoelectric performance. We primarily focus on TiS₂-based layered sulfides, misfit layered sulfides, homologous chalcogenides, accordion-like layered Sn chalcogenides, and thermoelectric minerals. CS₂ sulfurization is an appropriate method for preparing sulfide thermoelectric materials. At the atomic scale, the intercalation of guest atoms/layers into host crystal layers, crystal-structural evolution enabled by the homologous series, and low-energy atomic vibration effectively scatter phonons, resulting in a reduced lattice thermal conductivity. At the nanoscale, stacking faults further reduce the lattice thermal conductivity. At the microscale, the highly oriented microtexture allows high carrier mobility in the in-plane direction, leading to a high thermoelectric power factor.

Hierarchical Architecturing for Layered Thermoelectric Sulfides and Chalcogenides

PubMed Central

Jood, Priyanka; Ohta, Michihiro

2015-01-01

Sulfides are promising candidates for environment-friendly and cost-effective thermoelectric materials. In this article, we review the recent progress in all-length-scale hierarchical architecturing for sulfides and chalcogenides, highlighting the key strategies used to enhance their thermoelectric performance. We primarily focus on TiS2-based layered sulfides, misfit layered sulfides, homologous chalcogenides, accordion-like layered Sn chalcogenides, and thermoelectric minerals. CS2 sulfurization is an appropriate method for preparing sulfide thermoelectric materials. At the atomic scale, the intercalation of guest atoms/layers into host crystal layers, crystal-structural evolution enabled by the homologous series, and low-energy atomic vibration effectively scatter phonons, resulting in a reduced lattice thermal conductivity. At the nanoscale, stacking faults further reduce the lattice thermal conductivity. At the microscale, the highly oriented microtexture allows high carrier mobility in the in-plane direction, leading to a high thermoelectric power factor. PMID:28787992

Structural Changes as a Function of Thickness in [(SnSe) 1+δ ] m TiSe 2 Heterostructures

DOE PAGES

Hamann, Danielle M.; Lygo, Alexander C.; Esters, Marco; ...

2018-01-31

Single- and few-layer metal chalcogenide compounds are of significant interest due to structural changes and emergent electronic properties on reducing dimensionality from three to two dimensions. To explore dimensionality effects in SnSe, a series of [(SnSe) 1+δ] mTiSe 2 intergrowth structures with increasing SnSe layer thickness (m = 1-4) were prepared from designed thin-film precursors. In-plane diffraction patterns indicated that significant structural changes occurred in the basal plane of the SnSe constituent as m is increased. Scanning transmission electron microscopy cross-sectional images of the m = 1 compound indicate long-range coherence between layers, whereas the m >/= 2 compounds showmore » extensive rotational disorder between the constituent layers. For m >/= 2, the images of the SnSe constituent contain a variety of stacking sequences of SnSe bilayers. Density functional theory calculations suggest that the formation energy is similar for several different SnSe stacking sequences. The compounds show unexpected transport properties as m is increased, including the first p-type behavior observed in (MSe)m(TiSe 2) n compounds. The resistivity of the m >/- 2 compounds is larger than for m = 1, with m = 2 being the largest. At room temperature, the Hall coefficient is positive for m = 1 and negative for m = 2-4. The Hall coefficient of the m = 2 compound changes sign as temperature is decreased. The room-temperature Seebeck coefficient, however, switches from negative to positive at m = 3. These properties are incompatible with single band transport indicating that the compounds are not simple composites.« less

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.

Interaction of sodium atoms with stacking faults in silicon with different Fermi levels

NASA Astrophysics Data System (ADS)

Ohno, Yutaka; Morito, Haruhiko; Kutsukake, Kentaro; Yonenaga, Ichiro; Yokoi, Tatsuya; Nakamura, Atsutomo; Matsunaga, Katsuyuki

2018-06-01

Variation in the formation energy of stacking faults (SFs) with the contamination of Na atoms was examined in Si crystals with different Fermi levels. Na atoms agglomerated at SFs under an electronic interaction, reducing the SF formation energy. The energy decreased with the decrease of the Fermi level: it was reduced by more than 10 mJ/m2 in p-type Si, whereas it was barely reduced in n-type Si. Owing to the energy reduction, Na atoms agglomerating at SFs in p-type Si are stable compared with those in n-type Si, and this hypothesis was supported by ab initio calculations.

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.

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

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.

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.

Morphology and structure of borides in as-cast titanium and gamma-titanium aluminide-based alloys

NASA Astrophysics Data System (ADS)

Kitkamthorn, Usanee

In this study, the morphology and structure of the borides in boron-modified Ti- and gamma-TiAl-based alloys have been investigated using SEM, TEM, and HRTEM. A variety of different boride morphologies was observed including plates, needles, and ribbons. For the plate and needle borides, the major boride phase is B27 TiB. The needle borides have their major axis parallel to [010], and are bounded by (100) and {101} type-facets. The plate borides develop the same types of facets as the needles and have habit planes parallel to the (100). There are high densities of intrinsic stacking faults on (100) in these borides and these correspond to thin embedded layers of the Bf structure. The plate borides do not exhibit well-defined ORs with respect to the surrounding phases, suggesting that they develop in the liquid melt and were then trapped by the growing solid. Needle borides are observed mostly at boundaries between lamellar colonies: these needles tend to occur in groups lying nearly parallel to one another and, in some cases, to adopt well-defined ORs with respect to the surrounding phases. Cored borides with metallic phases such as beta, alpha, o and alpha 2+gamma in the center are frequently observed, especially in the Ti-based alloy. These core phases usually adopt well-defined ORs with respect to the surrounding boride which enable low-energy coherent interfaces to form between the phases. The ribbon borides are comprised of thin boride flakes interspersed with thin metallic layers. The major boride phase in these flakes is Bf TiB. The habit plane of the flakes is (010) and there are high densities of faults on this plane corresponding to intergrowths of the Ti3B 4 and TiB2 phases, together with thin layers or occluded pockets of metallic B2 phase. Occasional faults are observed on {110} corresponding to embedded slabs of B27 TiB. There is a well-defined OR between the boride flakes and the B2 phase within the ribbons, but not with the surrounding matrix. The characteristics of these various borides are consistent with them forming as eutectic reaction products, with the exception of the finest needles and plates observed in Ti-based alloy.

Identifying structural styles in Colombia

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

Wilson, W.P.; Van Nieuwenhuise, R.E.; Steuer, M.R.

1996-08-01

Much of our understanding of the Earth is from the study of surface geology and seismic, but many surface structures are responses to deformation which occurred below sedimentary layers. The practice within the petroleum industry is to use top-down processes of analyzing the surface to understand the subsurface, and observed surface structural styles tend to influence seismic interpretations. Yet many conditions which influenced the structural styles seen at the surface are different at depth. Since seismic is a time representation of the Earth, many interpretation pitfalls may exist within areas of complex geology. Also, its reliability decreases with depth andmore » with increasing geologic complexity. Forward modeling and pre-stack depth migration technologies are used to provide true depth images of the seismic data. Even with these advances in seismic imaging technology, the interpreter needs to incorporate additional data into the interpretation. Accurate structural identification requires the interpreter to integrate seismic with surface geology, remote sensing, gravity, magnetic data, geochemistry, fault-plane solutions from earthquakes, and regional tectonic studies. Incorporating these types of data into the interpretation will help us learn how basement is involved in the deformation of overlying sediments. A study of the Eastern Cordillera of Colombia shows the deformation to be dominantly transpressional in style. Euler deconvolution of the areomagnetic data shows a highly fractured basement, steep fault lineaments, en echelon structures, and complex fault patterns, all of which would be typical of wrench-type deformation. Available surface geology, regional studies, earthquake data, and forward modeling support this interpretation.« less

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.

Erosional development of bedrock spur and gully topography in the Valles Marineris, Mars

NASA Technical Reports Server (NTRS)

Patton, Peter C.

1990-01-01

Gully networks separated by resistant bedrock spurs are a common erosional feature along the escarpments that border the Valles Marineris. The resistant spur topography is best developed where the base of the slope is truncated by linear scarps interpreted as fault scarps. Regional variations in slope morphology imply that spur and gully topography undergoes a systematic progressive degradation through time associated with the erosional destruction of the basal fault scarps. The comparative morphometry of the divide networks indicates that the density of the spur networks and the number of first-order unbranched spurs decreases as the basal slope break becomes more sinuous. Abstraction of the spurs occurs through regolith storage in adjacent gullies at the slope base and the most degraded slope forms are entirely buried in talus. The basal fault scarps apparently control regolith transport by allowing debris to drain from the slope. As these basal scarps decay the slope base becomes increasingly sinuous and the slopes become transport limited. Dry mass-wasting may be the most important process acting on these slopes where a continually lowered base level is required to maintain the spur topography. In contrast to the Martian slopes, range front fault escarpments in the western U.S. show no systematic trend in spur network geometry as they are eroded. These weathering limited slopes are controlled by the more efficient removal of regolith through fluvial processes which rapidly create quasi-equilibrium drainage networks.

Physical and Transport Property Variations Within Carbonate-Bearing Fault Zones: Insights From the Monte Maggio Fault (Central Italy)

NASA Astrophysics Data System (ADS)

Trippetta, F.; Carpenter, B. M.; Mollo, S.; Scuderi, M. M.; Scarlato, P.; Collettini, C.

2017-11-01

The physical characterization of carbonate-bearing normal faults is fundamental for resource development and seismic hazard. Here we report laboratory measurements of density, porosity, Vp, Vs, elastic moduli, and permeability for a range of effective confining pressures (0.1-100 MPa), conducted on samples representing different structural domains of a carbonate-bearing fault. We find a reduction in porosity from the fault breccia (11.7% total and 6.2% connected) to the main fault plane (9% total and 3.5% connected), with both domains showing higher porosity compared to the protolith (6.8% total and 1.1% connected). With increasing confining pressure, P wave velocity evolves from 4.5 to 5.9 km/s in the fault breccia, is constant at 5.9 km/s approaching the fault plane and is low (4.9 km/s) in clay-rich fault domains. We find that while the fault breccia shows pressure sensitive behavior (a reduction in permeability from 2 × 10-16 to 2 × 10-17 m2), the cemented cataclasite close to the fault plane is characterized by pressure-independent behavior (permeability 4 × 10-17 m2). Our results indicate that the deformation processes occurring within the different fault structural domains influence the physical and transport properties of the fault zone. In situ Vp profiles match well the laboratory measurements demonstrating that laboratory data are valuable for implications at larger scale. Combining the experimental values of elastic moduli and frictional properties it results that at shallow crustal levels, M ≤ 1 earthquakes are less favored, in agreement with earthquake-depth distribution during the L'Aquila 2009 seismic sequence that occurred on carbonates.

Late Quaternary Faulting along the San Juan de los Planes Fault Zone, Baja California Sur, Mexico

NASA Astrophysics Data System (ADS)

Busch, M. M.; Coyan, J. A.; Arrowsmith, J.; Maloney, S. J.; Gutierrez, G.; Umhoefer, P. J.

2007-12-01

As a result of continued distributed deformation in the Gulf Extensional Province along an oblique-divergent plate margin, active normal faulting is well manifest in southeastern Baja California. By characterizing normal-fault related deformation along the San Juan de los Planes fault zone (SJPFZ) southwest of La Paz, Baja California Sur we contribute to understanding the patterns and rates of faulting along the southwest gulf-margin fault system. The geometry, history, and rate of faulting provide constraints on the relative significance of gulf-margin deformation as compared to axial system deformation. The SJPFZ is a major north-trending structure in the southern Baja margin along which we focused our field efforts. These investigations included: a detailed strip map of the active fault zone, including delineation of active scarp traces and geomorphic surfaces on the hanging wall and footwall; fault scarp profiles; analysis of bedrock structures to better understand how the pattern and rate of strain varied during the development of this fault zone; and a gravity survey across the San Juan de los Planes basin to determine basin geometry and fault behavior. The map covers a N-S swath from the Gulf of California in the north to San Antonio in the south, an area ~45km long and ~1-4km wide. Bedrock along the SJPFZ varies from Cretaceous Las Cruces Granite in the north to Cretaceous Buena Mujer Tonalite in the south and is scarred by shear zones and brittle faults. The active scarp-forming fault juxtaposes bedrock in the footwall against Late Quaternary sandstone-conglomerate. This ~20m wide zone is highly fractured bedrock infused with carbonate. The northern ~12km of the SJPFZ, trending 200°, preserves discontinuous scarps 1-2km long and 1-3m high in Quaternary units. The scarps are separated by stretches of bedrock embayed by hundreds of meters-wide tongues of Quaternary sandstone-conglomerate, implying low Quaternary slip rate. Further south, ~2 km north of the Los Planes highway, the fault steps to the right 2km with no overlap. The fault is inactive until ~3km south of the Los Planes highway where scarp heights in the Quaternary sediments rise to ~3-11m for ~11km with an average trend of 160°, implying increasing slip rate. The fault then steps left 2km with no overlap, trending 145°. Scarp heights range from 3-6m in the step. The southernmost 9km of the fault zone, trending 200°, is marked by discontinuous scarps and embayed bedrock, reflecting diminished fault activity. The footwall landscape in this area is characterized by a broad, gently-sloping, low-relief pediment surface with thin Quaternary cover, disrupted by inselberg-like hills. The young scarp-forming fault appears to have reactivated older faults to rupture this pediment, reflecting the episodic nature of slip along this fault zone. Preliminary OSL ages of the youngest faulted deposit imply a Late Pleistocene-Holocene slip rate of 0.1-1mm/yr. The SJPFZ is thus characterized by reactivation of pre-existing faults to rupture a pre-existing low relief erosional landscape. Whereas the entire region might have experienced the quiescent period that allowed for development of the low- relief, stable surface along the SJPFZ, we speculate that while the SJPFZ was dormant, other faults within the gulf-margin system were actively accommodating strain.

Nanoclusters first: a hierarchical phase transformation in a novel Mg alloy

NASA Astrophysics Data System (ADS)

Okuda, Hiroshi; Yamasaki, Michiaki; Kawamura, Yoshihito; Tabuchi, Masao; Kimizuka, Hajime

2015-09-01

The Mg-Y-Zn ternary alloy system contains a series of novel structures known as long-period stacking ordered (LPSO) structures. The formation process and its key concept from a viewpoint of phase transition are not yet clear. The current study reveals that the phase transformation process is not a traditional spinodal decomposition or structural transformation but, rather a novel hierarchical phase transformation. In this transformation, clustering occurs first, and the spatial rearrangement of the clusters induce a secondary phase transformation that eventually lead to two-dimensional ordering of the clusters. The formation process was examined using in situ synchrotron radiation small-angle X-ray scattering (SAXS). Rapid quenching from liquid alloy into thin ribbons yielded strongly supersaturated amorphous samples. The samples were heated at a constant rate of 10 K/min. and the scattering patterns were acquired. The SAXS analysis indicated that small clusters grew to sizes of 0.2 nm after they crystallized. The clusters distributed randomly in space grew and eventually transformed into a microstructure with two well-defined cluster-cluster distances, one for the segregation periodicity of LPSO and the other for the in-plane ordering in segregated layer. This transformation into the LPSO structure concomitantly introduces the periodical stacking fault required for the 18R structures.

The role of electronic coupling between substrate and 2D MoS2 nanosheets in electrocatalytic production of hydrogen.

PubMed

Voiry, Damien; Fullon, Raymond; Yang, Jieun; de Carvalho Castro E Silva, Cecilia; Kappera, Rajesh; Bozkurt, Ibrahim; Kaplan, Daniel; Lagos, Maureen J; Batson, Philip E; Gupta, Gautam; Mohite, Aditya D; Dong, Liang; Er, Dequan; Shenoy, Vivek B; Asefa, Tewodros; Chhowalla, Manish

2016-09-01

The excellent catalytic activity of metallic MoS2 edges for the hydrogen evolution reaction (HER) has led to substantial efforts towards increasing the edge concentration. The 2H basal plane is less active for the HER because it is less conducting and therefore possesses less efficient charge transfer kinetics. Here we show that the activity of the 2H basal planes of monolayer MoS2 nanosheets can be made comparable to state-of-the-art catalytic properties of metallic edges and the 1T phase by improving the electrical coupling between the substrate and the catalyst so that electron injection from the electrode and transport to the catalyst active site is facilitated. Phase-engineered low-resistance contacts on monolayer 2H-phase MoS2 basal plane lead to higher efficiency of charge injection in the nanosheets so that its intrinsic activity towards the HER can be measured. We demonstrate that onset potentials and Tafel slopes of ∼-0.1 V and ∼50 mV per decade can be achieved from 2H-phase catalysts where only the basal plane is exposed. We show that efficient charge injection and the presence of naturally occurring sulfur vacancies are responsible for the observed increase in catalytic activity of the 2H basal plane. Our results provide new insights into the role of contact resistance and charge transport on the performance of two-dimensional MoS2 nanosheet catalysts for the HER.

Three-dimensional fault framework of the 2014 South Napa Earthquake, San Francisco Bay region, California

NASA Astrophysics Data System (ADS)

Graymer, R. W.

2014-12-01

Assignment of the South Napa earthquake to a mapped fault is difficult, as it occurred where three large, northwest-trending faults converge and may interact in the subsurface. The surface rupture did not fall on the main trace of any of these faults, but instead between the Carneros and West Napa faults and northwest along strike from the northern mapped end of the Franklin Fault. The 2014 rupture plane appears to be nearly vertical, based on focal mechanisms of the mainshock and connection of the surface trace/rupture to the relocated hypocenter (J. Hardebeck, USGS). 3D surfaces constructed from published data show that the Carneros Fault is a steeply west-dipping fault that runs just west of the near-vertical 2014 rupture plane. The Carneros Fault does not appear to have been involved in the earthquake, although relocated aftershocks suggest possible minor triggered slip. The main West Napa Fault is also steeply west-dipping and that its projection intersects the 2014 rupture plane at around the depth of the mainshock hypocenter. UAVSAR data (A. Donnellan, JPL) and relocated aftershocks suggest that the main West Napa Fault experienced triggered slip/afterslip along a length of roughly 20 km. It is possible that the 2014 rupture took place along a largely unrecognized westerly strand of the West Napa Fault. The Franklin Fault is a steeply east-dipping fault (with a steeply west-dipping subordinate trace east of Mare Island) that has documented late Quaternary offset. Given the generally aligned orientation of the 3D fault surfaces, an alternative interpretation is that the South Napa earthquake occurred on the northernmost reach of the Franklin Fault within it's 3D junction with the West Napa Fault. This interpretation is supported, but not proven, by a short but prominent linear feature in the UAVSAR data at Slaughterhouse Point west of Vallejo, along trend south-southeast of the observed coseismic surface rupture.

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

Retrieving rupture history using waveform inversions in time sequence

NASA Astrophysics Data System (ADS)

Yi, L.; Xu, C.; Zhang, X.

2017-12-01

The rupture history of large earthquakes is generally regenerated using the waveform inversion through utilizing seismological waveform records. In the waveform inversion, based on the superposition principle, the rupture process is linearly parameterized. After discretizing the fault plane into sub-faults, the local source time function of each sub-fault is usually parameterized using the multi-time window method, e.g., mutual overlapped triangular functions. Then the forward waveform of each sub-fault is synthesized through convoluting the source time function with its Green function. According to the superposition principle, these forward waveforms generated from the fault plane are summarized in the recorded waveforms after aligning the arrival times. Then the slip history is retrieved using the waveform inversion method after the superposing of all forward waveforms for each correspond seismological waveform records. Apart from the isolation of these forward waveforms generated from each sub-fault, we also realize that these waveforms are gradually and sequentially superimposed in the recorded waveforms. Thus we proposed a idea that the rupture model is possibly detachable in sequent rupture times. According to the constrained waveform length method emphasized in our previous work, the length of inverted waveforms used in the waveform inversion is objectively constrained by the rupture velocity and rise time. And one essential prior condition is the predetermined fault plane that limits the duration of rupture time, which means the waveform inversion is restricted in a pre-set rupture duration time. Therefore, we proposed a strategy to inverse the rupture process sequentially using the progressively shift rupture times as the rupture front expanding in the fault plane. And we have designed a simulation inversion to test the feasibility of the method. Our test result shows the prospect of this idea that requiring furthermore investigation.

Millennial strain partitioning revealed by 36Cl cosmogenic data on active bedrock fault scarps from Abruzzo, Italy

NASA Astrophysics Data System (ADS)

Gregory, Laura; Roberts, Gerald; Cowie, Patience; Wedmore, Luke; McCaffrey, Ken; Shanks, Richard; Zijerveld, Leo; Phillips, Richard

2017-04-01

In zones of distributed continental faulting, it is critical to understand how slip is partitioned onto brittle structures over both long-term millennial time scales and shorter-term individual earthquake cycles. Measuring earthquake slip histories on different timescales is challenging due to earthquake repeat-times being longer or similar to historical earthquake records, and a paucity of data on fault activity covering millennial to Quaternary scales in detail. Cosmogenic isotope analyses from bedrock fault scarps have the potential to bridge the gap, as these datasets track the exposure of fault planes due to earthquakes with millennial resolution. In this presentation, we present new 36Cl data combined with historical earthquake records to document orogen-wide changes in the distribution of seismicity on millennial timescales in Abruzzo, central Italy. Seismic activity due to extensional faulting was concentrated on the northwest side of the mountain range during the historical period, or since approximately the 14th century. Seismicity is more limited on the southwest side of Abruzzo during historical times. This pattern has led some to suggest that faults on the southwest side of Abruzzo are not active, however clear fault scarps cutting Holocene-aged slopes are well preserved across the whole of the orogen. These scarps preserve an excellent record of Late Pleistocene to Holocene earthquake activity, which can be quantified using cosmogenic isotopes that track the exposure of the bedrock fault scarps. 36Cl accumulates in the fault scarps as the plane is progressively exhumed by earthquakes and the concentration of 36Cl measured up the fault plane reflects the rate and patterns of slip. We utilise Bayesian modelling techniques to estimate slip histories based on the cosmogenic data. Each sampling site is carefully characterised using LiDAR and GPR to ensure that fault plane exposure is due to slip during earthquakes and not sediment transport processes. In this presentation we will focus on new data from faults located across-strike in Abruzzo. Many faults in Abruzzo demonstrate slip rate variability on millennial timescales, with relatively fast slip interspersed between quiescent periods. We show that heightened activity is co-located and spatially migrates across Abruzzo over time. We highlight the importance of understanding this dynamic fault behaviour of migrating seismic activity, and in particular how our research is relevant to the 2016 Amatrice-Vettore seismic sequence in central Italy.

A Microstructural Analysis of Orientation Variation in Epitaxial AlN on Si, Its Probable Origin, and Effect on Subsequent GaN Growth

NASA Technical Reports Server (NTRS)

Beye, R.; George, T.; Yang, J. W.; Khan, M. A.

1996-01-01

A structural examination of aluminum nitride growth on [111] silicon was carried out using transmission electron microscopy. Electron diffraction indicates that the basal planes of the wurtzitic overlayer mimic the orientation of the close-packed planes of the substrate. However, considerable, random rotation in the basal plane and random out-of-plane tilts were evident. This article examines these issues with a structural examination of AlN and GaN/AlN on silicon and compares the findings to those reported in the literature.

Seismic valve as the main mechanism for sedimentary fluid entrapment within extensional basin: example of the Lodève Permian Basin (Hérault, South of France).

NASA Astrophysics Data System (ADS)

Laurent, D.; Lopez, M.; Chauvet, A.; Imbert, P.; Sauvage, A. C.; Martine, B.; Thomas, M.

2014-12-01

During syn-sedimentary burial in basin, interstitial fluids initially trapped within the sedimentary pile are easily moving under overpressure gradient. Indeed, they have a significant role on deformation during basin evolution, particularly on fault reactivation. The Lodève Permian Basin (Hérault, France) is an exhumed half graben with exceptional outcrop conditions providing access to barite-sulfides mineralized systems and hydrocarbon trapped into rollover faults of the basin. Architectural studies shows a cyclic infilling of fault zone and associated S0-parallel veins according to three main fluid events during dextral/normal faulting. Contrasting fluid entrapment conditions are deduced from textural analysis, fluid inclusion microthermometry and sulfide isotope geothermometer: (i) the first stage is characterized by an implosion breccia cemented by silicifications and barite during abrupt pressure drop within fault zone; (ii) the second stage consists in succession of barite ribbons precipitated under overpressure fluctuations, derived from fault-valve action, with reactivation planes formed by sulphide-rich micro-shearing structures showing normal movement; and (iii) the third stage is associated to the formation of dextral strike-slip pull-apart infilling by large barite crystals and contemporary hydrocarbons under suprahydrostatic pressure values. Microthermometry, sulfide and strontium isotopic compositions of the barite-sulfides veins indicate that all stages were formed by mixing between deep basinal fluids at 230°C, derived from cinerite dewatering, and formation water from overlying sedimentary cover channelized trough fault planes. We conclude to a polyphase history of fluid trapping during Permian synrift formation of the basin: (i) a first event, associated with the dextral strike-slip motion on faults, leads to a first sealing of the fault zone; (ii) periodic reactivations of fault planes and bedding-controlled shearing form the main mineralized ore bodies by the single action of fluid overpressure fluctuations, undergoing changes in local stress distribution and (iii) a final tectonic activation of fault linked to last basinal fluid and hydrocarbon migration during which shear stress restoration on fault plane is faster than fluid pressure build-up.

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.

Investigation of twin-twin interaction in deformed magnesium alloy

NASA Astrophysics Data System (ADS)

Sun, Qi; Ostapovets, Andriy; Zhang, Xiyan; Tan, Li; Liu, Qing

2018-03-01

Using transmission electron microscopy, we characterised the structures of the boundary caused by the interactions between different ? twin variants that share the same ? zone axis in a deformed magnesium alloy. We found that the twin-twin boundaries can adopt the habit planes that are parallel to the (0 0 0 2) basal plane or the ? prismatic plane or the ? twinning plane of the interacting twins. To investigate the formation mechanism of various twin-twin boundaries, we also performed atomic simulations. The results indicate that the formation of a twin-twin boundary may be related to the reaction of twinning disconnections that glide on the basal-prismatic planes of the interacting twins.

Deformation Behavior of Ultra-Strong and Ductile Mg-Gd-Y-Zn-Zr Alloy with Bimodal Microstructure

NASA Astrophysics Data System (ADS)

Xu, C.; Fan, G. H.; Nakata, T.; Liang, X.; Chi, Y. Q.; Qiao, X. G.; Cao, G. J.; Zhang, T. T.; Huang, M.; Miao, K. S.; Zheng, M. Y.; Kamado, S.; Xie, H. L.

2018-02-01

An ultra-strong and ductile Mg-8.2Gd-3.8Y-1Zn-0.4Zr (wt pct) alloy was developed by using hot extrusion to modify the microstructure via forced-air cooling and an artificial aging treatment. A superior strength-ductility balance was obtained that had a tensile yield strength of 466 MPa and an elongation to failure of 14.5 pct. The local strain evolution during the in situ testing of the ultra-strong and ductile alloy was quantitatively analyzed with high-resolution electron backscattered diffraction and digital image correlation. The fracture behavior during the tensile test was characterized by synchrotron X-ray tomography along with SEM and STEM observations. The alloy showed a bimodal microstructure, consisting of dynamically recrystallized (DRXed) grains with random orientations and elongated hot-worked grains with < { 10{\\bar{1}}0} > parallel to the extrusion direction. The DRXed grains were deformed by the basal <;a> slip and the hot-worked grains were deformed by the prismatic slip dominantly. The strain evolution analysis indicated that the multilayered structure relaxed the strain localization via strain transfer from the DRXed to the hot-worked regions, which led to the high ductility of the alloy. Precipitation of the γ' on basal planes and the β' phases on the prismatic planes of the α-Mg generated closed volumes, which enhanced the strength by pinning dislocations effectively, and contributed to the high ductility by impeding the propagation of micro-cracks inside the grains. The deformation incompatibility between the hot-worked grains and the arched block-shaped long-period stacking ordered (LPSO) phases induced the crack initiation and propagation, which fractured the alloy.

Magnetic Fabric Associated with Faulting of Poorly Consolidated Basin Sediments of the Rio Grande Rift, New Mexico, USA

NASA Astrophysics Data System (ADS)

Hudson, M. R.; Minor, S. A.; Caine, J. S.

2015-12-01

Permanent strain in sediments associated with shallow fault zones can be difficult to characterize. Anisotropy of magnetic susceptibility (AMS) data were obtained from 120 samples at 6 sites to assess the nature of fault-related AMS fabrics for 4 faults cutting Miocene-Pliocene basin fill sediments of the Rio Grande rift of north-central New Mexico. The San Ysidro (3 sites), Sand Hill, and West Paradise faults within the northern Albuquerque basin have normal offset whereas an unnamed fault near Buckman in the western Española basin has oblique strike-slip offset. Previous studies have shown that detrital magnetite controls magnetic susceptibility in rift sandstones, and in a 50-m-long hanging wall traverse of the San Ysidro fault, non-gouge samples have typical sedimentary AMS fabrics with Kmax and Kint axes (defining magnetic foliation) scattered within bedding. For the 5 normal-fault sites, samples from fault cores or adjacent mixed zones that lie within 1 m of the principal slip surface developed common deformation fabrics with (1) magnetic foliation inclined in the same azimuth but more shallowly dipping than the fault plane, and (2) magnetic lineation plunging down foliation dip with nearly the same trend as the fault striae, although nearer for sand versus clay gouge samples. These relations suggest that the sampled fault materials deformed by particulate flow with alignment of magnetite grains in the plane of maximum shortening. For a 2-m-long traverse at the Buckman site, horizontal sedimentary AMS foliation persists to < 15 cm to the fault slip surface, wherein foliation in sand and clay gouge rotates toward the steeply dipping fault plane in a sense consistent with sinistral offset. Collectively these data suggest permanent deformation fabrics were localized within < 1 m of fault surfaces and that AMS fabrics from gouge samples can provide kinematic information for faults in unconsolidated sediments which may lack associated slickenlines.

Mechanism and energetics of dislocation cross-slip in hcp metals

NASA Astrophysics Data System (ADS)

Wu, Zhaoxuan; Curtin, W. A.

2016-10-01

Hexagonal close-packed (hcp) metals such as Mg, Ti, and Zr are lightweight and/or durable metals with critical structural applications in the automotive (Mg), aerospace (Ti), and nuclear (Zr) industries. The hcp structure, however, brings significant complications in the mechanisms of plastic deformation, strengthening, and ductility, and these complications pose significant challenges in advancing the science and engineering of these metals. In hcp metals, generalized plasticity requires the activation of slip on pyramidal planes, but the structure, motion, and cross-slip of the associated dislocations are not well established even though they determine ductility and influence strengthening. Here, atomistic simulations in Mg reveal the unusual mechanism of dislocation cross-slip between pyramidal I and II planes, which occurs by cross-slip of the individual partial dislocations. The energy barrier is controlled by a fundamental step/jog energy and the near-core energy difference between pyramidal dislocations. The near-core energy difference can be changed by nonglide stresses, leading to tension-compression asymmetry and even a switch in absolute stability from one glide plane to the other, both features observed experimentally in Mg, Ti, and their alloys. The unique cross-slip mechanism is governed by common features of the generalized stacking fault energy surfaces of hcp pyramidal planes and is thus expected to be generic to all hcp metals. An analytical model is developed to predict the cross-slip barrier as a function of the near-core energy difference and applied stresses and quantifies the controlling features of cross-slip and pyramidal I/II stability across the family of hcp metals.

A novel end-to-end fault detection and localization protocol for wavelength-routed WDM networks

NASA Astrophysics Data System (ADS)

Zeng, Hongqing; Vukovic, Alex; Huang, Changcheng

2005-09-01

Recently the wavelength division multiplexing (WDM) networks are becoming prevalent for telecommunication networks. However, even a very short disruption of service caused by network faults may lead to high data loss in such networks due to the high date rates, increased wavelength numbers and density. Therefore, the network survivability is critical and has been intensively studied, where fault detection and localization is the vital part but has received disproportional attentions. In this paper we describe and analyze an end-to-end lightpath fault detection scheme in data plane with the fault notification in control plane. The endeavor is focused on reducing the fault detection time. In this protocol, the source node of each lightpath keeps sending hello packets to the destination node exactly following the path for data traffic. The destination node generates an alarm once a certain number of consecutive hello packets are missed within a given time period. Then the network management unit collects all alarms and locates the faulty source based on the network topology, as well as sends fault notification messages via control plane to either the source node or all upstream nodes along the lightpath. The performance evaluation shows such a protocol can achieve fast fault detection, and at the same time, the overhead brought to the user data by hello packets is negligible.

Rupture Dynamics Simulation for Non-Planar fault by a Curved Grid Finite Difference Method

NASA Astrophysics Data System (ADS)

Zhang, Z.; Zhu, G.; Chen, X.

2011-12-01

We first implement the non-staggered finite difference method to solve the dynamic rupture problem, with split-node, for non-planar fault. Split-node method for dynamic simulation has been used widely, because of that it's more precise to represent the fault plane than other methods, for example, thick fault, stress glut and so on. The finite difference method is also a popular numeric method to solve kinematic and dynamic problem in seismology. However, previous works focus most of theirs eyes on the staggered-grid method, because of its simplicity and computational efficiency. However this method has its own disadvantage comparing to non-staggered finite difference method at some fact for example describing the boundary condition, especially the irregular boundary, or non-planar fault. Zhang and Chen (2006) proposed the MacCormack high order non-staggered finite difference method based on curved grids to precisely solve irregular boundary problem. Based upon on this non-staggered grid method, we make success of simulating the spontaneous rupture problem. The fault plane is a kind of boundary condition, which could be irregular of course. So it's convinced that we could simulate rupture process in the case of any kind of bending fault plane. We will prove this method is valid in the case of Cartesian coordinate first. In the case of bending fault, the curvilinear grids will be used.

A Mid-Holocene Relative Sea-Level Stack, New Jersey, USA

NASA Astrophysics Data System (ADS)

Horton, B.; Walker, J. S.; Kemp, A.; Shaw, T. J.; Kopp, R. E.

2017-12-01

Most high resolution (decimeter- and decadal-scale) relative sea-level (RSL) records using salt-marsh microfossils as a proxy only extend through the Common Era, limiting our understanding of driving mechanisms of RSL change and how sea-level is influenced by changing climate. Records beyond the Common Era are limited by the depth of continuous sequences of salt-marsh peat suitable for high resolution reconstructions, as well as contamination by local processes such as sediment compaction. In contrast, sequences of basal peats have produced compaction-free RSL records through the Holocene, but at a low resolution (meter- and centennial-scale). We devise a new Multi-Proxy Presence/Absence Method (MP2AM) to develop a mid-Holocene RSL stack. We stack a series of 1 m basal peat cores that overlap along a uniform elevational gradient above an incompressible basal sand. We analyzed three sea-level indicators from 14 cores: foraminifera, testate amoebae, and stable carbon isotope geochemistry. To reconstruct RSL, this multi-proxy approach uses the timesaving presence/absence of forams and testates to determine the elevation of the highest occurrence of forams and the lowest occurrence of testates in each basal core. We use stable carbon isotope geochemistry to determine the C3/C4 vegetation boundary in each core. We develop age-depth models for each core using a series of radiocarbon dates. The RSL records from each 1 m basal core are combined to create a stack or, in effect, one long core of salt-marsh material. This method removes the issue of compaction to create a continuous RSL record to address temporal changes and periods of climate and sea-level variability. We reconstruct a southern NJ mid-Holocene RSL record from Edwin B. Forsythe National Wildlife Refuge, where Kemp et al. (2013) completed a 2500 yr RSL record using a foraminifera-based transfer function approach. Preliminary radiocarbon dates suggest the basal sequence is at least 4246-4408 cal yrs BP. Presence/absence of forams and testates and the transition of C3/C4 vegetation is identified in each core and constrained with radiocarbon dating. A short core with full counts of forams and testates is used to test the new method and compare with the traditional foraminifera-based transfer function approach and the local tide gauge record.

Thin Crystal Film Polarizer for Display Application

NASA Astrophysics Data System (ADS)

Paukshto, Michael

2003-03-01

Optiva Inc. has pioneered the development of nano-thin crystalline film (TCF) optical coatings for use in information displays and other applications. TCF is a material based on water-based dichroic dye solutions. Disk-like dye molecules aggregate in a ``plane-to-plane" manner; this self-assembly results in formation of highly anisometric rod-like stacks. These stacks have an aspect ratio of approximately 200:1. At a certain threshold of dye concentration, a nematic ordering of the rod-like stacks appears. Such a system acquires polarizing properties according to the following mechanism. Flow-induced alignment is known to occur in the lyotropic systems in a shear flow. In our case, the material undergoes shear alignment while being coated onto a glass or plastic substrate. In the coated thin film, the long molecular stacks are oriented in the flow direction parallel to the flow direction and substrate plane. The planes of the dye molecules are perpendicular to the substrate plane with the optical transition oscillators lying in the molecule plane. After the coating, as the thin film dries, crystallization occurs due to water evaporation. In a dry film, the molecular planes maintain their orthogonal orientation with respect to the substrate surface. TCF is known to possess properties of an E-mode polarizer. TCF technology has now migrated out of the R stage into manufacturing and is currently being incorporated into new display products. This presentation will provide an overview of TCF technology. The first part of the presentation will describe material structure, optical properties and characterization, material processing and associated coating equipment. This will be followed by a presentation on optical modeling and simulation of display performance with TCF components. Comparisons of display performance will be made for exemplar configurations of a variety of LCDs, including TN, STN and AMLCD designs in both transmissive and reflective modes.

Live Imaging at the Onset of Cortical Neurogenesis Reveals Differential Appearance of the Neuronal Phenotype in Apical versus Basal Progenitor Progeny

PubMed Central

Attardo, Alessio; Calegari, Federico; Haubensak, Wulf; Wilsch-Bräuninger, Michaela; Huttner, Wieland B.

2008-01-01

The neurons of the mammalian brain are generated by progenitors dividing either at the apical surface of the ventricular zone (neuroepithelial and radial glial cells, collectively referred to as apical progenitors) or at its basal side (basal progenitors, also called intermediate progenitors). For apical progenitors, the orientation of the cleavage plane relative to their apical-basal axis is thought to be of critical importance for the fate of the daughter cells. For basal progenitors, the relationship between cell polarity, cleavage plane orientation and the fate of daughter cells is unknown. Here, we have investigated these issues at the very onset of cortical neurogenesis. To directly observe the generation of neurons from apical and basal progenitors, we established a novel transgenic mouse line in which membrane GFP is expressed from the beta-III-tubulin promoter, an early pan-neuronal marker, and crossed this line with a previously described knock-in line in which nuclear GFP is expressed from the Tis21 promoter, a pan-neurogenic progenitor marker. Mitotic Tis21-positive basal progenitors nearly always divided symmetrically, generating two neurons, but, in contrast to symmetrically dividing apical progenitors, lacked apical-basal polarity and showed a nearly randomized cleavage plane orientation. Moreover, the appearance of beta-III-tubulin–driven GFP fluorescence in basal progenitor-derived neurons, in contrast to that in apical progenitor-derived neurons, was so rapid that it suggested the initiation of the neuronal phenotype already in the progenitor. Our observations imply that (i) the loss of apical-basal polarity restricts neuronal progenitors to the symmetric mode of cell division, and that (ii) basal progenitors initiate the expression of neuronal phenotype already before mitosis, in contrast to apical progenitors. PMID:18545663

Imaging the Crust in the Northern Sector of the 2009 L'Aquila Seismic Sequence through Oil Exploration Data Interpretation

NASA Astrophysics Data System (ADS)

Grazia Ciaccio, Maria; Improta, Luigi; Patacca, Etta; Scandone, Paolo; Villani, Fabio

2010-05-01

The 2009 L'Aquila seismic sequence activated a complex, about 40 km long, NW-trending and SW-dipping normal fault system, consisting of three main faults arranged in right-lateral en-echelon geometry. While the northern sector of the epicentral area was extensively investigated by oil companies, only a few scattered, poor-quality commercial seismic profiles are available in the central and southern sector. In this study we interpret subsurface commercial data from the northern sector, which is the area where is located the source of the strong Mw5.4 aftershock occurred on the 9th April 2009. Our primary goals are: (1) to define a reliable framework of the upper crust structure, (2) to investigate how the intense aftershock activity, the bulk of which is clustered in the 5-10 km depth range, relates to the Quaternary extensional faults present in the area. The investigated area lies between the western termination of the W-E trending Gran Sasso thrust system to the south, the SW-NE trending Mt. Sibillini thrust front (Ancona-Anzio Line Auctt.) to the north and west, and by the NNW-SSE trending, SW-dipping Mt. Gorzano normal fault to the east. In this area only middle-upper Miocene deposits are exposed (Laga Flysch and underlying Cerrogna Marl), but commercial wells have revealed the presence of a Triassic-Miocene sedimentary succession identical to the well known Umbria-Marche stratigraphic sequence. We have analyzed several confidential seismic reflection profiles, mostly provided by ENI oil company. Seismic lines are tied to two public wells, 5766 m and 2541 m deep. Quality of the reflection imaging is highly variable. A few good quality stack sections contain interpretable signal down to 4.5-5.5 s TWT, corresponding to depths exceeding 10-12 km and thus allowing crustal imaging at seismogenic depths. Key-reflectors for the interpretation correspond to: (1) the top of the Miocene Cerrogna marls, (2) the top of the Upper Albian-Oligocene Scaglia Group, (3) the Aptian-Albian Fucoid Marl horizon, (4) the top of the upper Jurassic "Calcari ad Aptici" Formation, (5) the top of the upper Triassic dolomites plus evaporites of the Burano Formation. Strong but discontinuous deep reflectors can be reasonably attributed to the Paleozoic-Trassic clastic sequence underlying the evaporites. Neogene compression is responsible for a system of NNW-SSE trending fault-propagation folds which have often grown on top of popup-like structures. Extensional features include shallow-seated low-angle faults, likely related to gravitational readjustments on top of compressional features, and younger NNW-SSE trending high-angle faults. The major high-angle fault in the investigated area is represented by the Mt. Gorzano Fault, a regional structure the surface trace of which is at least 20 km long. The Mt. Gorzano Fault is a listric fault that dips around 60° in the first 2 s TWT and flattens at greater depths until it becomes sub-horizontal at about 5 s TWT, i.e. at a depth averaging 12 kilometers. Depth converted sections, calibrated by well data, indicate that the bulk of the aftershock activity is confined between the Triassic dolomites plus evaporites and the underlying Paleozoic-Triassic terrigenous deposits, without affecting the overlying carbonates. Events alignment revealed by accurate Double-Difference relative locations suggests that the Mw5.4 aftershock activated a 12 km-long segment of the Mt. Gorzano Fault at depths ranging from 5 to 10-12 kilometers. Aftershocks cluster in the hanging-wall of the deep portion of the fault recognized in the stack sections, whose geometry is consistent with the fault plane highlighted by earthquakes alignment.

Laboratory Evidence of Strength Recovery of Healed Faults

NASA Astrophysics Data System (ADS)

Masuda, K.

2015-12-01

Fault zones consist of a fault core and a surrounding damage zone. Fault zones are typically characterized by the presence of many healed surfaces, the strength of which is unknown. If a healed fault recovers its strength such that its cohesion is equal to or greater than that of the host rock, repeated cycles of fracture and healing may be one mechanism producing wide fault zones. I present laboratory evidence supporting the strength recovery of healed fault surface, obtained by AE monitoring, strain measurements and X-ray CT techniques. The loading experiment was performed with a specimen collected from an exhumed fault zone. Healed surfaces of the rock sample were interpreted to be parallel to slip surfaces. The specimen was a cylinder with 50 mm diameter and 100 mm long. The long axis of the specimen was inclined with respect to the orientation of the healed surfaces. The compression test used a constant loading rate under 50 MPa of confining pressure. Macroscopic failure occurred when the applied differential stress reached 439 MPa. The macro-fracture surface created during the experiment was very close to the preexisting plane. The AE hypocenters closely match the locations of the preexisting healed surface and the new fault plane. The experiment also revealed details of the initial stage of fault development. The new fault zone developed near, but not precisely on the preexisting healed fault plane. An area of heterogeneous structure where stress appears to have concentrated, was where the AEs began, and it was also where the fracture started. This means that the healed surface was not a weak surface and that healing strengthened the fault such that its cohesion was equal to or greater than that of the intact host rock. These results suggest that repeated cycles of fracture and healing may be the main mechanism creating wide fault zones with multiple fault cores and damage zones.

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.

Fault compaction and overpressured faults: results from a 3-D model of a ductile fault zone

NASA Astrophysics Data System (ADS)

Fitzenz, D. D.; Miller, S. A.

2003-10-01

A model of a ductile fault zone is incorporated into a forward 3-D earthquake model to better constrain fault-zone hydraulics. The conceptual framework of the model fault zone was chosen such that two distinct parts are recognized. The fault core, characterized by a relatively low permeability, is composed of a coseismic fault surface embedded in a visco-elastic volume that can creep and compact. The fault core is surrounded by, and mostly sealed from, a high permeability damaged zone. The model fault properties correspond explicitly to those of the coseismic fault core. Porosity and pore pressure evolve to account for the viscous compaction of the fault core, while stresses evolve in response to the applied tectonic loading and to shear creep of the fault itself. A small diffusive leakage is allowed in and out of the fault zone. Coseismically, porosity is created to account for frictional dilatancy. We show in the case of a 3-D fault model with no in-plane flow and constant fluid compressibility, pore pressures do not drop to hydrostatic levels after a seismic rupture, leading to an overpressured weak fault. Since pore pressure plays a key role in the fault behaviour, we investigate coseismic hydraulic property changes. In the full 3-D model, pore pressures vary instantaneously by the poroelastic effect during the propagation of the rupture. Once the stress state stabilizes, pore pressures are incrementally redistributed in the failed patch. We show that the significant effect of pressure-dependent fluid compressibility in the no in-plane flow case becomes a secondary effect when the other spatial dimensions are considered because in-plane flow with a near-lithostatically pressured neighbourhood equilibrates at a pressure much higher than hydrostatic levels, forming persistent high-pressure fluid compartments. If the observed faults are not all overpressured and weak, other mechanisms, not included in this model, must be at work in nature, which need to be investigated. Significant leakage perpendicular to the fault strike (in the case of a young fault), or cracks hydraulically linking the fault core to the damaged zone (for a mature fault) are probable mechanisms for keeping the faults strong and might play a significant role in modulating fault pore pressures. Therefore, fault-normal hydraulic properties of fault zones should be a future focus of field and numerical experiments.

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

Constraining the Source of the M w 8.1 Chiapas, Mexico Earthquake of 8 September 2017 Using Teleseismic and Tsunami Observations

NASA Astrophysics Data System (ADS)

Heidarzadeh, Mohammad; Ishibe, Takeo; Harada, Tomoya

2018-04-01

The September 2017 Chiapas (Mexico) normal-faulting intraplate earthquake (M w 8.1) occurred within the Tehuantepec seismic gap offshore Mexico. We constrained the finite-fault slip model of this great earthquake using teleseismic and tsunami observations. First, teleseismic body-wave inversions were conducted for both steep (NP-1) and low-angle (NP-2) nodal planes for rupture velocities (V r) of 1.5-4.0 km/s. Teleseismic inversion guided us to NP-1 as the actual fault plane, but was not conclusive about the best V r. Tsunami simulations also confirmed that NP-1 is favored over NP-2 and guided the V r = 2.5 km/s as the best source model. Our model has a maximum and average slips of 13.1 and 3.7 m, respectively, over a 130 km × 80 km fault plane. Coulomb stress transfer analysis revealed that the probability for the occurrence of a future large thrust interplate earthquake at offshore of the Tehuantepec seismic gap had been increased following the 2017 Chiapas normal-faulting intraplate earthquake.

Characterization of double Shockley-type stacking faults formed in lightly doped 4H-SiC epitaxial films

NASA Astrophysics Data System (ADS)

Yamashita, T.; Hayashi, S.; Naijo, T.; Momose, K.; Osawa, H.; Senzaki, J.; Kojima, K.; Kato, T.; Okumura, H.

2018-05-01

Double Shockley-type stacking faults (2SSFs) formed in 4H-SiC epitaxial films with a dopant concentration of 1.0 × 1016 cm-3 were characterized using grazing incident X-ray topography and high-resolution scanning transmission electron microscopy. The origins of 2SSFs were investigated, and it was found that 2SSFs in the epitaxial layer originated from narrow SFs with a double Shockley structure in the substrate. Partial dislocations formed between 4H-type and 2SSF were also characterized. The shapes of 2SSFs are related with Burgers vectors and core types of the two Shockley partial dislocations.

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

Chen, Dong; Heidelberger, Philip; Sugawara, Yutaka

An apparatus and method for extending the scalability and improving the partitionability of networks that contain all-to-all links for transporting packet traffic from a source endpoint to a destination endpoint with low per-endpoint (per-server) cost and a small number of hops. An all-to-all wiring in the baseline topology is decomposed into smaller all-to-all components in which each smaller all-to-all connection is replaced with star topology by using global switches. Stacking multiple copies of the star topology baseline network creates a multi-planed switching topology for transporting packet traffic. Point-to-point unified stacking method using global switch wiring methods connects multiple planes ofmore » a baseline topology by using the global switches to create a large network size with a low number of hops, i.e., low network latency. Grouped unified stacking method increases the scalability (network size) of a stacked topology.« less

Fault zone architecture of a major oblique-slip fault in the Rawil depression, Western Helvetic nappes, Switzerland

NASA Astrophysics Data System (ADS)

Gasser, D.; Mancktelow, N. S.

2009-04-01

The Helvetic nappes in the Swiss Alps form a classic fold-and-thrust belt related to overall NNW-directed transport. In western Switzerland, the plunge of nappe fold axes and the regional distribution of units define a broad depression, the Rawil depression, between the culminations of Aiguilles Rouge massif to the SW and Aar massif to the NE. A compilation of data from the literature establishes that, in addition to thrusts related to nappe stacking, the Rawil depression is cross-cut by four sets of brittle faults: (1) SW-NE striking normal faults that strike parallel to the regional fold axis trend, (2) NW-SE striking normal faults and joints that strike perpendicular to the regional fold axis trend, and (3) WNW-ESE striking normal plus dextral oblique-slip faults as well as (4) WSW-ENE striking normal plus dextral oblique-slip faults that both strike oblique to the regional fold axis trend. We studied in detail a beautifully exposed fault from set 3, the Rezli fault zone (RFZ) in the central Wildhorn nappe. The RFZ is a shallow to moderately-dipping (ca. 30-60˚) fault zone with an oblique-slip displacement vector, combining both dextral and normal components. It must have formed in approximately this orientation, because the local orientation of fold axes corresponds to the regional one, as does the generally vertical orientation of extensional joints and veins associated with the regional fault set 2. The fault zone crosscuts four different lithologies: limestone, intercalated marl and limestone, marl and sandstone, and it has a maximum horizontal dextral offset component of ~300 m and a maximum vertical normal offset component of ~200 m. Its internal architecture strongly depends on the lithology in which it developed. In the limestone, it consists of veins, stylolites, cataclasites and cemented gouge, in the intercalated marls and limestones of anastomosing shear zones, brittle fractures, veins and folds, in the marls of anastomosing shear zones, pressure solution seams and veins and in the sandstones of coarse breccia and veins. Later, straight, sharp fault planes cross-cut all these features. In all lithologies, common veins and calcite-cemented fault rocks indicate the strong involvement of fluids during faulting. Today, the southern Rawil depression and the Rhone Valley belong to one of the seismically most active regions in Switzerland. Seismogenic faults interpreted from earthquake focal mechanisms strike ENE-WSW to WNW-ESE, with dominant dextral strike-slip and minor normal components and epicentres at depths of < 15 km. All three Neogene fault sets (2-4) could have been active under the current stress field inferred from the current seismicity. This implies that the same mechanisms that formed these fault zones in the past may still persist at depth. The Rezli fault zone allows the detailed study of a fossil fault zone that can act as a model for processes still occurring at deeper levels in this seismically active region.

Geologic map of the Sunshine 7.5' quadrangle, Taos County, New Mexico

USGS Publications Warehouse

Thompson, Ren A.; Turner, Kenzie J.; Shroba, Ralph R.; Cosca, Michael A.; Ruleman, Chester A.; Lee, John P.; Brandt, Theodore R.

2014-01-01

Pliocene and younger basin deposition was accommodated along predominantly north-trending fault-bounded grabens and is preserved as poorly exposed fault scarps that cut lava flows of Ute Mountain volcano, north of the map area. The Servilleta Basalt and younger surficial deposits record largely down-to-east basinward displacement. Faults are identified with varying confidence levels in the map area. Recognizing and mapping faults developed near the surface in relatively young, brittle volcanic rocks is difficult because: (1) they tend to form fractured zones tens of meters wide rather than discrete fault planes, (2) the relative youth of the deposits has resulted in only modest displacements on most faults, and (3) some of the faults may have significant strike-slip components that do not result in large vertical offsets that are readily apparent in offset of sub-horizontal contacts. Those faults characterized as “certain” either have distinct offset of map units or had slip planes that were directly observed in the field. Lineaments defined from magnetic anomalies form an additional constraint on potential fault locations.

Dual-Native Vacancy Activated Basal Plane and Conductivity of MoSe2 with High-Efficiency Hydrogen Evolution Reaction.

PubMed

Gao, Daqiang; Xia, Baorui; Wang, Yanyan; Xiao, Wen; Xi, Pinxian; Xue, Desheng; Ding, Jun

2018-04-01

Although transition metal dichalcogenide MoSe 2 is recognized as one of the low-cost and efficient electrocatalysts for the hydrogen evolution reaction (HER), its thermodynamically stable basal plane and semiconducting property still hamper the electrocatalytic activity. Here, it is demonstrated that the basal plane and edges of 2H-MoSe 2 toward HER can be activated by introducing dual-native vacancy. The first-principle calculations indicate that both the Se and Mo vacancies together activate the electrocatalytic sites in the basal plane and edges of MoSe 2 with the optimal hydrogen adsorption free energy (ΔG H* ) of 0 eV. Experimentally, 2D MoSe 2 nanosheet arrays with a large amount of dual-native vacancies are fabricated as a catalytic working electrode, which possesses an overpotential of 126 mV at a current density of 100 mV cm -2 , a Tafel slope of 38 mV dec -1 , and an excellent long-term durability. The findings pave a rational pathway to trigger the activity of inert MoSe 2 toward HER and also can be extended to other layered dichalcogenide. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Phase-field modeling of void anisotropic growth behavior in irradiated zirconium

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

Han, G. M.; Wang, H.; Lin, De-Ye

2017-06-01

A three-dimensional (3D) phase field model was developed to study the effects of surface energy and diffusivity anisotropy on void growth behavior in irradiated Zr. The gamma surface energy function, which is used in the phase field model, was developed with the surface energy anisotropy calculated from the molecular dynamics (MD) simulations. It is assumed that vacancies have much larger mobility in c-axis than a- and b- axes while interstitials have much larger mobility in basal plane then that in c-axis. With the model, the equilibrium void morphology and the effect of defect concentrations and defect mobility anisotropy on voidmore » growth behavior were simulated. The simulations demonstrated that 1) The developed phase-field model can correctly reproduce the faceted void morphology predicted by the Wullf construction. 2) With isotropic diffusivity the void prefers to grow on the basal plane. 3) When the vacancy has large mobility along c-axis and interstitial has a large mobility on the basal plane of hexagonal closed packed (hcp) Zr alloys a platelet void grows in c-direction and shrinks on the basal plane, which is in agreement with the experimental observation of void growth behavior in irradiated Zr.« less

Availability of the basal planes of graphene oxide determines whether it is antibacterial.

PubMed

Hui, Liwei; Piao, Ji-Gang; Auletta, Jeffrey; Hu, Kan; Zhu, Yanwu; Meyer, Tara; Liu, Haitao; Yang, Lihua

2014-08-13

There are significant controversies on the antibacterial properties of graphene oxide (GO): GO was reported to be bactericidal in saline, whereas its activity in nutrient broth was controversial. To unveil the mechanisms underlying these contradictions, we performed antibacterial assays under comparable conditions. In saline, bare GO sheets were intrinsically bactericidal, yielding a bacterial survival percentage of <1% at 200 μg/mL. Supplementing saline with ≤10% Luria-Bertani (LB) broth, however, progressively deactivated its bactericidal activity depending on LB-supplementation ratio. Supplementation of 10% LB made GO completely inactive; instead, ∼100-fold bacterial growth was observed. Atomic force microscopy images showed that certain LB components were adsorbed on GO basal planes. Using bovine serum albumin and tryptophan as well-defined model adsorbates, we found that noncovalent adsorption on GO basal planes may account for the deactivation of GO's bactericidal activity. Moreover, this deactivation mechanism was shown to be extrapolatable to GO's cytotoxicity against mammalian cells. Taken together, our observations suggest that bare GO intrinsically kills both bacteria and mammalian cells and noncovalent adsorption on its basal planes may be a global deactivation mechanism for GO's cytotoxicity.

Molecular dynamics simulations of cesium adsorption on illite nanoparticles.

PubMed

Lammers, Laura N; Bourg, Ian C; Okumura, Masahiko; Kolluri, Kedarnath; Sposito, Garrison; Machida, Masahiko

2017-03-15

The charged surfaces of micaceous minerals, especially illite, regulate the mobility of the major radioisotopes of Cs ( 134 Cs, 135 Cs, 137 Cs) in the geosphere. Despite the long history of Cs adsorption studies, the nature of the illite surface sites remains incompletely understood. To address this problem, we present atomistic simulations of Cs competition with Na for three candidate illite adsorption sites - edge, basal plane, and interlayer. Our simulation results are broadly consistent with affinities and selectivities that have been inferred from surface complexation models. Cation exchange on the basal planes is thermodynamically ideal, but exchange on edge surfaces and within interlayers shows complex, thermodynamically non-ideal behavior. The basal planes are weakly Cs-selective, while edges and interlayers have much higher affinity for Cs. The dynamics of NaCs exchange are rapid for both cations on the basal planes, but considerably slower for Cs localized on edge surfaces. In addition to new insights into Cs adsorption and exchange with Na on illite, we report the development of a methodology capable of simulating fully-flexible clay mineral nanoparticles with stable edge surfaces using a well-tested interatomic potential model. Copyright © 2016 Elsevier Inc. All rights reserved.

Deformation along the western Indian plate boundary: new constraints from differential and multi-aperture InSAR data inversion for the 2008, Baluchistan (Western Pakistan) seismic sequence.

NASA Astrophysics Data System (ADS)

Pezzo, Giuseppe; Merryman Boncori, John Peter; Atzori, Simone; Antonioli, Andrea; Salvi, Stefano

2014-05-01

We use Synthetic Aperture Radar Differential Interferometry (DInSAR) and Multi-Aperture Interferometry (MAI) to constrain the sources of the three largest events of the 2008 Baluchistan (western Pakistan) seismic sequence, namely two Mw 6.4 events only 12 hours apart and an Mw 5.7event occurred 40 days later. The sequence took place in the Quetta Syntaxis, the most seismically active region of Baluchistan, tectonically located between the colliding Indian Plate and the Afghan block of the Eurasian Plate. Elastic dislocation modelling of the surface displacements, derived from ascending and descending ENVISAT ASAR acquisitions, yields slip distributions with peak values of 80 cm and 70 cm for the two main events on a pair of strike-slip near-vertical faults, and values up to 50 cm for the largest aftershock on a NE-SW strike-slip fault. The MAI measurements, with their high sensitivity to the north-south motion component, are crucial in this area to resolve the fault plane ambiguity of moment tensors. We also studied the relationships between the largest earthquakes of the sequence by means of the Coulomb Failure Function to verify the agreement of our source modelling with the stress variations induced by the October 28 earthquake on the October 29 fault plane, and the stress variations induced by the two mainshocks on the December 09 fault plane. Our results provide insight into the deformation style of the Quetta Syntaxis, suggesting that right-lateral slip released at intermediate depths on large NW fault planes is compatible with contemporaneous left-lateral activation on NE-SW minor faults at shallower depths, in agreement with a bookshelf deformation mechanism.

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

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.

Movement of basal plane dislocations in GaN during electron beam irradiation

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

Yakimov, E. B.; National University of Science and Technology MISiS, Leninskiy pr. 4, Moscow 119049; Vergeles, P. S.

The movement of basal plane segments of dislocations in low-dislocation-density GaN films grown by epitaxial lateral overgrowth as a result of irradiation with the probing beam of a scanning electron microscope was detected by means of electron beam induced current. Only a small fraction of the basal plane dislocations was susceptible to such changes and the movement was limited to relatively short distances. The effect is explained by the radiation enhanced dislocation glide for dislocations pinned by two different types of pinning sites: a low-activation-energy site and a high-activation-energy site. Only dislocation segments pinned by the former sites can bemore » moved by irradiation and only until they meet the latter pinning sites.« less

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

Oweis, Salah; Chagnon, Guy; Alunans, Peter

An electrochemical cell, including a jelly-roll type electrode stack, and a method for making such cell. The electrochemical cell includes folded electrode portions which form a plane recessed from the end of the electrode stack. The folded electrode portions are preferably formed by making pairs of slits in the electrode end and bending over the electrode portions between each pair of slits. The recessed plane forms a large area to which a current collection tab is subsequently connected. A coating may be applied to the folded portions of the electrode to further increase the contact area with the current collectionmore » tab by eliminating the slight variations in the recessed plane which are due to the overlap of the folded electrode portions.« less

Tracking Local Spatiotemporal Microfracturing Processes and Stress Field Evolution Before and After Laboratory Fault Slip

NASA Astrophysics Data System (ADS)

Kwiatek, G.; Orlecka-Sikora, B.; Goebel, T.; Martínez-Garzón, P.; Dresen, G.; Bohnhoff, M.

2017-12-01

In this study we investigate details of spatial and temporal evolution of the stress field and damage at a pre-existing fault plane in laboratory stick-slip friction experiments performed on Westerly Granite sample. Specimen of 10 cm height and 4 cm diameter was deformed at a constant strain rate of 3×10-6 s-1 and confining pressure of 150 MPa. Here we analyze a series of 6 macroscopic slip events occurring on a rough fault during the course of experiment. Each macroscopic slip was associated with an intense femtoseismic acoustic emission (AE) activity recorded using a 16-channel transient recording system. To monitor the the spatiotemporal damage evolution, and unravel the micromechanical processes governing nucleation and propagation of slip events, we analyzed AE source characteristics (magnitude, seismic moment tensors, focal mechanisms), as well as the statistical properties (b-, c-, d- value) of femtoseismicity. In addition, the calculated AE focal mechanisms were used to reveal the spatiotemporal evolution of local stress field orientations and stress shape ratio coefficients over the fault plane, as well as additional parameters quantifying proximity to failure of individual fault patches. The calculated characteristics are used to comprehensively describe the complexity of the spatial and temporal evolution of the stress over the fault plane, and properties of the corresponding seismicity before and after the macroscopic slips. The observed faulting processes and characteristics are discussed in the context of global strain and stress changes, fault maturation, and earthquake stress drop.

High resolution shallow imaging of the mega-splay fault in the central Nankai Trough off Kumano

NASA Astrophysics Data System (ADS)

Ashi, J.

2012-12-01

Steep slopes are continuously developed at water depths between 2200 to 2800 m at the Nankai accretionary prism off Kumano. These slopes are interpreted to be surface expressions caused by the megasplay fault on seismic reflection profiles. The fault plane has been drilled at multiple depths below seafloor by IODP NanTroSEIZE project. Mud breccias only recognized at the hanging wall of the fault (Site C0004) by Xray CT scanner are interpreted be formed by strong ground shaking and the age of the shallowest event of mud breccia layers suggests deformation in 1944 Tonankai earthquake (Sakaguchi et al., 2011). Detailed structures around the fault have been examined by seismic reflection profiles including 3D experiments. Although the fault plane deeper than 100 m is well imaged, the structure shallower than 100 m is characterized by obscure sediment veneer suggesting no recent fault activity. Investigation of shallow deformation structures is significant for understanding of recent tectonic activity. Therefore, we carried out deep towed subbottom profile survey by ROV NSS (Navigable Sampling System) during Hakuho-maru KH-11-9 cruise. We introduced a chirp subbottom profiling system of EdgeTech DW-106 for high resolution mapping of shallow structures. ROV NSS also has capability to take a long core with a pinpoint accuracy. The subbottom profiler crossing the megasplay fault near Site C0004 exhibits a landward dipping reflector suggesting the fault plane. The shallowest depth of the reflector is about 10 m below seafloor and the strata above it shows reflectors parallel to the seafloor without any topographic undulation. The fault must have displaced the shallow formation because intense deformation indicated by mud breccia was restricted to near fault zone. Slumping or sliding probably modified the shallow formation after the faulting. The shallow deformations near the megasplay fault were well imaged at the fault scarp 20 km southwest of Site C0004. Although the fault plane itself is not recognized, displacements of sedimentary layers are observed along the fault up to 30 meter below the seafloor. Landward dip of the fault is estimated to be 30 degrees. Displacements of strata are about 3 m near the surface and about 5 m at 7 m below the seafloor suggesting accumulation of fault displacement. The structure more than 30 m below the seafloor is obscure due to decrease of acoustic signal. Active cold seep is expected in this site by high heat flow (Yamano et al., 2012) and many trails of Calyptogena detected by seafloor observations. These results are consistent with the shallow structures reveled by our subbottom profiling survey. References Sakaguchi, A. et al., Geology 39, 919-922, 2011. Yamano, M. et al., JpGU Meeting abstract, SSS38-P23, 2012

The 2000 Nemuro-Hanto-Oki earthquake, off eastern Hokkaido, Japan, and the high intraslab seismic activity in the southwestern Kuril Trench

USGS Publications Warehouse

Takahashi, H.; Hirata, K.

2003-01-01

The 2000 Nemuro-Hanto-Oki earthquake (Mw6.8) occurred in the southwestern part of the Kuril Trench. The hypocenter was located close to the aftershock region of the great 1994 Kuril earthquake (Mw8.3), named "the 1994 Hokkaido-Toho-Oki earthquake" by the Japan Meteorological Agency, for which the fault plane is still in debate. Analysis of the 2000 event provides a clue to resolve the fault plane issue for the 1994 event. The hypocenters of the 2000 main shock and aftershocks are determined using arrival times from a combination of nearby inland and submarine seismic networks with an improved azimuthal coverage. They clearly show that the 2000 event was an intraslab event occurring on a shallow-dipping fault plane between 55 and 65 km in depth. The well-focused aftershock distribution of the 2000 event, the relative location of the 1994 event with respect to the 2000 event, and the similarity between their focal mechanisms strongly suggest that the faulting of the great 1994 earthquake also occurred on a shallow-dipping fault plane in the subducting slab. The recent hypocenter distribution around the 1994 aftershock region also supports this result. Large intraslab earthquakes occuring to the southeast of Hokkaido may occur due to a strong coupling on the plate boundary, which generates relatively large stress field within the subducting Pacific plate.

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

Fault growth and acoustic emissions in confined granite

USGS Publications Warehouse

Lockner, David A.; Byerlee, James D.

1992-01-01

The failure process in a brittle granite was studied by using acoustic emission techniques to obtain three dimensional locations of the microfracturing events. During a creep experiment the nucleation of faulting coincided with the onset of tertiary creep, but the development of the fault could not be followed because the failure occurred catastrophically. A technique has been developed that enables the failure process to be stabilized by controlling the axial stress to maintain a constant acoustic emission rate. As a result the post-failure stress-strain curve has been followed quasi-statically, extending to hours the fault growth process that normally would occur violently in a fraction of a second. The results from the rate-controlled experiments show that the fault plane nucleated at a point on the sample surface after the stress-strain curve reached its peak. Before nucleation, the microcrack growth was distributed throughout the sample. The fault plane then grew outward from the nucleation site and was accompanied by a gradual drop in stress. Acoustic emission locations showed that the fault propagated as a fracture front (process zone) with dimensions of 1 to 3 cm. As the fracture front passed by a given fixed point on the fault plane, the subsequent acoustic emission would drop. When growth was allowed to progress until the fault bisected the sample, the stress dropped to the frictional strength. These observations are in accord with the behavior predicted by Rudnicki and Rice's bifurcation analysis but conflict with experiments used to infer that shear localization would occur in brittle rock while the material is still hardening.

Retrodeformable cross sections and Oak Ridge fault, Ventura basin, California

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

Yeats, R.S.; Huftile, G.F.

1988-03-01

A retrodeformable (balanced) cross section is constructed such that stratified rocks are restored to their undeformed state without loss or gain of bed length or bed thickness. Ductile strata may be area-balanced if original thickness is known. Near Ventura, folds in Pliocene-Pleistocene turbidites and Miocene-early Pliocene shales (Rincon, Monterey, Sisquoc) overlie an unfolded competent Paleogene sequence. The basal decollement of the foldbelt is in the ductile Rincon Formation (lower Miocene). The overlying Sulphur Mountain, Ventura Avenue, San Miguelito, and Rincon anticlines are fault-propagation folds developing from south-dipping, largely late Quaternary frontal ramp thrusts (Sisar-Big Canyon-Lion fault set, Barnard fault set,more » padre Juan fault, and C-3 fault, respectively) that rise from the decollement. Cross-section balancing shows that the overlying fold-thrust belt has shortened 2.5-6 km more than subjacent Paleogene competent strata. This excess bed length is taken up in the Paleogene sequence on the Oak Ridge fault as a ramp from the brittle-plastic transition zone through the upper crust. This implies that the basal decollement is the frontal active thrust of the Oak Ridge fault. The decollement dies out southeast of a line between Timber Canyon oil field and the west end of Oak Ridge, possibly because of decreased ductility in the Miocene decollement sequence due to appearance of sandstone interbeds. Farther southeast, late Quaternary displacement concentrated on the Oak Ridge fault itself at rates greater than 10 mm/year.« less

Microseismic Analysis of Fracture of an Intact Rock Asperity Traversing a Sawcut Fault

NASA Astrophysics Data System (ADS)

Mclaskey, G.; Lockner, D. A.

2017-12-01

Microseismic events carry information related to stress state, fault geometry, and other subsurface properties, but their relationship to large and potentially damaging earthquakes is not well defined. We conducted laboratory rock mechanics experiments that highlight the interaction between a sawcut fault and an asperity composed of an intact rock "pin". The sample is a 76 mm diameter cylinder of Westerly granite with a 21 mm diameter cylinder (the pin) of intact Westerly granite that crosses the sawcut fault. Upon loading to 80 MPa in a triaxial machine, we first observed a slip event that ruptured the sawcut fault, slipped about 35 mm, but was halted by the rock pin. With continued loading, the rock pin failed in a swarm of thousands of M -7 seismic events similar to the localized microcracking that occurs during the final fracture nucleation phase in an intact rock sample. Once the pin was fractured to a critical point, it permitted complete rupture events on the sawcut fault (stick-slip instabilities). No seismicity was detected on the sawcut fault plane until the pin was sheared. Subsequent slip events were preceded by 10s of foreshocks, all located on the fault plane. We also identified an aseismic zone on the fault plane surrounding the fractured rock pin. A post-mortem analysis of the sample showed a thick gouge layer where the pin intersected the fault, suggesting that this gouge propped open the fault and prevented microseismic events in its vicinity. This experiment is an excellent case study in microseismicity since the events separate neatly into three categories: slip on the sawcut fault, fracture of the intact rock pin, and off-fault seismicity associated with pin-related rock joints. The distinct locations, timing, and focal mechanisms of the different categories of microseismic events allow us to study how their occurrence is related to the mechanics of the deforming rock.

Correlating Scatter in Fatigue Life with Fracture Mechanisms in Forged Ti-6242Si Alloy

NASA Astrophysics Data System (ADS)

Sinha, V.; Pilchak, A. L.; Jha, S. K.; Porter, W. J.; John, R.; Larsen, J. M.

2018-04-01

Unlike the quasi-static mechanical properties, such as strength and ductility, fatigue life can vary significantly (by an order of magnitude or more) for nominally identical material and test conditions in many materials, including Ti-alloys. This makes life prediction and management more challenging for components that are subjected to cyclic loading in service. The differences in fracture mechanisms can cause the scatter in fatigue life. In this study, the fatigue fracture mechanisms were investigated in a forged near- α titanium alloy, Ti-6Al-2Sn-4Zr-2Mo-0.1Si, which had been tested under a condition that resulted in life variations by more than an order of magnitude. The crack-initiation and small crack growth processes, including their contributions to fatigue life variability, were elucidated via quantitative characterization of fatigue fracture surfaces. Combining the results from quantitative tilt fractography and electron backscatter diffraction, crystallography of crack-initiating and neighboring facets on the fracture surface was determined. Cracks initiated on the surface for both the shortest and the longest life specimens. The facet plane in the crack-initiating grain was aligned with the basal plane of a primary α grain for both the specimens. The facet planes in grains neighboring the crack-initiating grain were also closely aligned with the basal plane for the shortest life specimen, whereas the facet planes in the neighboring grains were significantly misoriented from the basal plane for the longest life specimen. The difference in the extent of cracking along the basal plane can explain the difference in fatigue life of specimens at the opposite ends of scatter band.

The 20 April 2013 Lushan, Sichuan, mainshock, and its aftershock sequence: tectonic implications

NASA Astrophysics Data System (ADS)

Lei, Jianshe; Zhang, Guangwei; Xie, Furen

2014-02-01

Using the double-difference relocation algorithm, we relocated the 20 April 2013 Lushan, Sichuan, earthquake ( M S 7.0), and its 4,567 aftershocks recorded during the period between 20 April and May 3, 2013. Our results showed that most aftershocks are relocated between 10 and 20 km depths, but some large aftershocks were relocated around 30 km depth and small events extended upward near the surface. Vertical cross sections illustrate a shovel-shaped fault plane with a variable dip angle from the southwest to northeast along the fault. Furthermore, the dip angle of the fault plane is smaller around the mainshock than that in the surrounding areas along the fault. These results suggest that it may be easy to generate the strong earthquake in the place having a small dip angle of the fault, which is somewhat similar to the genesis of the 2008 Wenchuan earthquake. The Lushan mainshock is underlain by the seismically anomalous layers with low-VP, low-VS, and high-Poisson's ratio anomalies, possibly suggesting that the fluid-filled fractured rock matrices might significantly reduce the effective normal stress on the fault plane to bring the brittle failure. The seismic gap between Lushan and Wenchuan aftershocks is suspected to be vulnerable to future seismic risks at greater depths, if any.

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.

A test of the hypothesis that impact-induced fractures are preferred sites for later tectonic activity

NASA Technical Reports Server (NTRS)

Solomon, Sean C.; Duxbury, Elizabeth D.

1987-01-01

Impact cratering has been an important process in the solar system. The cratering event is generally accompanied by faulting in adjacent terrain. Impact-induced faults are nearly ubiquitous over large areas on the terrestrial planets. The suggestion is made that these fault systems, particularly those associated with the largest impact features are preferred sites for later deformation in response to lithospheric stresses generated by other processes. The evidence is a perceived clustering of orientations of tectonic features either radial or concentric to the crater or basin in question. An opportunity exists to test this suggestion more directly on Earth. The terrestrial continents contain more than 100 known or probable impact craters, with associated geological structures mapped to varying levels of detail. Prime facie evidence for reactivation of crater-induced faults would be the occurrence of earthquakes on these faults in response to the intraplate stress field. Either an alignment of epicenters with mapped fault traces or fault plane solutions indicating slip on a plane approximately coincident with that inferred for a crater-induced fault would be sufficient to demonstrate such an association.

AC-DCFS: a toolchain implementation to Automatically Compute Coulomb Failure Stress changes after relevant earthquakes.

NASA Astrophysics Data System (ADS)

Alvarez-Gómez, José A.; García-Mayordomo, Julián

2017-04-01

We present an automated free software-based toolchain to obtain Coulomb Failure Stress change maps on fault planes of interest following the occurrence of a relevant earthquake. The system uses as input the focal mechanism data of the event occurred and an active fault database for the region. From the focal mechanism the orientations of the possible rupture planes, the location of the event and the size of the earthquake are obtained. From the size of the earthquake, the dimensions of the rupture plane are obtained by means of an algorithm based on empirical relations. Using the active fault database in the area, the stress-receiving planes are obtained and a verisimilitude index is assigned to the source plane from the two nodal planes of the focal mechanism. The obtained product is a series of layers in a format compatible with any type of GIS (or map completely edited in PDF format) showing the possible stress change maps on the different families of fault planes present in the epicentral zone. These type of products are presented generally in technical reports developed in the weeks following the occurrence of the event, or in scientific publications; however they have been proven useful for emergency management in the hours and days after a major event being these stress changes responsible of aftershocks, in addition to the mid-term earthquake forecasting. The automation of the calculation allows its incorporation within the products generated by the alert and surveillance agencies shortly after the earthquake occurred. It is now being implemented in the Spanish Geological Survey as one of the products that this agency would provides after the occurrence of relevant seismic series in Spain.

Transform fault earthquakes in the North Atlantic: Source mechanisms and depth of faulting

NASA Technical Reports Server (NTRS)

Bergman, Eric A.; Solomon, Sean C.

1987-01-01

The centroid depths and source mechanisms of 12 large earthquakes on transform faults of the northern Mid-Atlantic Ridge were determined from an inversion of long-period body waveforms. The earthquakes occurred on the Gibbs, Oceanographer, Hayes, Kane, 15 deg 20 min, and Vema transforms. The depth extent of faulting during each earthquake was estimated from the centroid depth and the fault width. The source mechanisms for all events in this study display the strike slip motion expected for transform fault earthquakes; slip vector azimuths agree to 2 to 3 deg of the local strike of the zone of active faulting. The only anomalies in mechanism were for two earthquakes near the western end of the Vema transform which occurred on significantly nonvertical fault planes. Secondary faulting, occurring either precursory to or near the end of the main episode of strike-slip rupture, was observed for 5 of the 12 earthquakes. For three events the secondary faulting was characterized by reverse motion on fault planes striking oblique to the trend of the transform. In all three cases, the site of secondary reverse faulting is near a compression jog in the current trace of the active transform fault zone. No evidence was found to support the conclusions of Engeln, Wiens, and Stein that oceanic transform faults in general are either hotter than expected from current thermal models or weaker than normal oceanic lithosphere.

Synergistic effect of Indium and Gallium co-doping on growth behavior and physical properties of hydrothermally grown ZnO nanorods.

PubMed

Lim, Jun Hyung; Lee, Seung Muk; Kim, Hyun-Suk; Kim, Hyun You; Park, Jozeph; Jung, Seung-Boo; Park, Geun Chul; Kim, Jungho; Joo, Jinho

2017-02-03

We synthesized ZnO nanorods (NRs) using simple hydrothermal method, with the simultaneous incorporation of gallium (Ga) and indium (In), in addition, investigated the co-doping effect on the morphology, microstructure, electronic structure, and electrical/optical properties. The growth behavior of the doped NRs was affected by the nuclei density and polarity of the (001) plane. The c-axis parameter of the co-doped NRs was similar to that of undoped NRs due to the compensated lattice distortion caused by the presence of dopants that are both larger (In 3+ ) and smaller (Ga 3+ ) than the host Zn 2+ cations. Red shifts in the ultraviolet emission peaks were observed in all doped NRs, owing to the combined effects of NR size, band gap renormalization, and the presence of stacking faults created by the dopant-induced lattice distortions. In addition, the NR/p-GaN diodes using co-doped NRs exhibited superior electrical conductivity compared to the other specimens due to the increase in the charge carrier density of NRs and the relatively large effective contact area of (001) planes. The simultaneous doping of In and Ga is therefore anticipated to provide a broader range of optical, physical, and electrical properties of ZnO NRs for a variety of opto-electronic applications.

Synergistic effect of Indium and Gallium co-doping on growth behavior and physical properties of hydrothermally grown ZnO nanorods

NASA Astrophysics Data System (ADS)

Lim, Jun Hyung; Lee, Seung Muk; Kim, Hyun-Suk; Kim, Hyun You; Park, Jozeph; Jung, Seung-Boo; Park, Geun Chul; Kim, Jungho; Joo, Jinho

2017-02-01

We synthesized ZnO nanorods (NRs) using simple hydrothermal method, with the simultaneous incorporation of gallium (Ga) and indium (In), in addition, investigated the co-doping effect on the morphology, microstructure, electronic structure, and electrical/optical properties. The growth behavior of the doped NRs was affected by the nuclei density and polarity of the (001) plane. The c-axis parameter of the co-doped NRs was similar to that of undoped NRs due to the compensated lattice distortion caused by the presence of dopants that are both larger (In3+) and smaller (Ga3+) than the host Zn2+ cations. Red shifts in the ultraviolet emission peaks were observed in all doped NRs, owing to the combined effects of NR size, band gap renormalization, and the presence of stacking faults created by the dopant-induced lattice distortions. In addition, the NR/p-GaN diodes using co-doped NRs exhibited superior electrical conductivity compared to the other specimens due to the increase in the charge carrier density of NRs and the relatively large effective contact area of (001) planes. The simultaneous doping of In and Ga is therefore anticipated to provide a broader range of optical, physical, and electrical properties of ZnO NRs for a variety of opto-electronic applications.

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.

Computational insight into the capacitive performance of graphene edge planes

DOE PAGES

Zhan, Cheng; Zhang, Yu; Cummings, Peter T.; ...

2017-02-01

Recent experiments have shown that electric double-layer capacitors utilizing electrodes consisting of graphene edge plane exhibit higher capacitance than graphene basal plane. However, theoretical understanding of this capacitance enhancement is still limited. Here we applied a self-consistent joint density functional theory calculation on the electrode/electrolyte interface and found that the capacitance of graphene edge plane depends on the edge type: zigzag edge has higher capacitance than armchair edge due to the difference in their electronic structures. We further examined the quantum, dielectric, and electric double-layer (EDL) contributions to the total capacitance of the edge-plane electrodes. Classical molecular dynamics simulation foundmore » that the edge planes have higher EDL capacitance than the basal plane due to better adsorption of counter-ions and higher solvent accessible surface area. Finally, our work therefore has elucidated the capacitive energy storage in graphene edge planes that take into account both the electrode's electronic structure and the EDL structure.« less

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.

Discrete element simulations of gravitational volcanic deformation. 1; Deformation structures and geometries

NASA Technical Reports Server (NTRS)

Morgan, Julia K.; McGovern, Patrick J.

2005-01-01

We have carried out two-dimensional particle dynamics simulations of granular piles subject to frictional Coulomb failure criteria to gain a first-order understanding of different modes of gravitational deformation within volcanoes. Under uniform basal and internal strength conditions, granular piles grow self-similarly, developing distinctive stratigraphies, morphologies, and structures. Piles constructed upon cohesive substrates exhibit particle avalanching, forming outward dipping strata and angle of repose slopes. Systematic decreases in basal strength lead to progressively deeper and steeper internal detachment faults and slip along a basal decollement; landslide forms grade from shallow slumps to deep-seated landslide and, finally, to axial subsidence and outward flank displacements, or volcanic spreading. Surface slopes decrease and develop concave up morphologies with decreasing decollement strength; depositional layers tilt progressively inward. Spatial variations in basal strength cause lateral transitions in pile structure, stratigraphy, and morphology. This approximation of volcanoes as Coulomb granular piles reproduces the richness of deformational structures and surface morphologies in many volcanic settings. The gentle slopes of Hawaiian volcanoes and Olympus Mons on Mars suggest weak basal decollements that enable volcanic spreading. High-angle normal faults, favored above weak decollements, are interpreted in both settings and may explain catastrophic sector collapse in Hawaii and broad aureole deposits surrounding Olympus Mons. In contrast, steeper slopes and shallow detachment faults predominate in the Canary Islands, thought to lack a weak decollement, favoring smaller, more frequent slope failures than predicted for Hawaii. The numerical results provide a useful predictive tool for interpreting dynamic behavior and associated geologic hazards of active volcanoes.

Basal-plane thermal conductivity of nanocrystalline and amorphized thin germanane

DOE PAGES

Coloyan, Gabriella; Cultrara, Nicholas D.; Katre, Ankita; ...

2016-09-30

Recently, we synthesized Germanane (GeH), a hydrogen-terminated layered germanium structure. We employed a four-probe thermal transport measurement method to obtain the basal-plane thermal conductivity of thin exfoliated GeH flakes and correlated the measurement results with the crystal structure. Furthermore, the obtained thermal conductivity increases with increasing temperature, suggesting that extrinsic grain boundary and defect scattering dominate intrinsic phonon-phonon scattering. Annealing a polycrystalline GeH sample at 195 C caused it to become amorphous, reducing the room-temperature thermal conductivity from 0.53± 0.03 W m -1 K -1, which is close to the value calculated for 3.3 nm grain size, to 0.29± 0.02more » W m -1 K -1, which approaches the calculated amorphous limit in the basal plane thermal conductivity.« less

Basal-plane thermal conductivity of nanocrystalline and amorphized thin germanane

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

Coloyan, Gabriella; Cultrara, Nicholas D.; Katre, Ankita

Recently, we synthesized Germanane (GeH), a hydrogen-terminated layered germanium structure. We employed a four-probe thermal transport measurement method to obtain the basal-plane thermal conductivity of thin exfoliated GeH flakes and correlated the measurement results with the crystal structure. Furthermore, the obtained thermal conductivity increases with increasing temperature, suggesting that extrinsic grain boundary and defect scattering dominate intrinsic phonon-phonon scattering. Annealing a polycrystalline GeH sample at 195 C caused it to become amorphous, reducing the room-temperature thermal conductivity from 0.53± 0.03 W m -1 K -1, which is close to the value calculated for 3.3 nm grain size, to 0.29± 0.02more » W m -1 K -1, which approaches the calculated amorphous limit in the basal plane thermal conductivity.« less

Co-scheduling of network resource provisioning and host-to-host bandwidth reservation on high-performance network and storage systems

DOEpatents

Yu, Dantong; Katramatos, Dimitrios; Sim, Alexander; Shoshani, Arie

2014-04-22

A cross-domain network resource reservation scheduler configured to schedule a path from at least one end-site includes a management plane device configured to monitor and provide information representing at least one of functionality, performance, faults, and fault recovery associated with a network resource; a control plane device configured to at least one of schedule the network resource, provision local area network quality of service, provision local area network bandwidth, and provision wide area network bandwidth; and a service plane device configured to interface with the control plane device to reserve the network resource based on a reservation request and the information from the management plane device. Corresponding methods and computer-readable medium are also disclosed.

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.

Ab initio molecular dynamics simulation of the effects of stacking faults on the radiation response of 3C-SiC

PubMed Central

Jiang, M.; Peng, S. M.; Zhang, H. B.; Xu, C. H.; Xiao, H. Y.; Zhao, F. A.; Liu, Z. J.; Zu, X. T.

2016-01-01

In this study, an ab initio molecular dynamics method is employed to investigate how the existence of stacking faults (SFs) influences the response of SiC to low energy irradiation. It reveals that the C and Si atoms around the SFs are generally more difficult to be displaced than those in unfaulted SiC, and the corresponding threshold displacement energies for them are generally larger, indicative of enhanced radiation tolerance caused by the introduction of SFs, which agrees well with the recent experiment. As compared with the unfaulted state, more localized point defects are generated in faulted SiC. Also, the efficiency of damage production for Si recoils is generally higher than that of C recoils. The calculated potential energy increases for defect generation in SiC with intrinsic and extrinsic SFs are found to be higher than those in unfaulted SiC, due to the stronger screen-Coulomb interaction between the PKA and its neighbors. The presented results provide a fundamental insight into the underlying mechanism of displacement events in faulted SiC and will help to advance the understanding of the radiation response of SiC with and without SFs. PMID:26880027

Modeling right-lateral offset of a Late Pleistocene terrace riser along the Polaris fault using ground based LiDAR imagery

NASA Astrophysics Data System (ADS)

Howle, J. F.; Bawden, G. W.; Hunter, L. E.; Rose, R. S.

2009-12-01

High resolution (centimeter level) three-dimensional point-cloud imagery of offset glacial outwash deposits were collected by using ground based tripod LiDAR (T-LiDAR) to characterize the cumulative fault slip across the recently identified Polaris fault (Hunter et al., 2009) near Truckee, California. The type-section site for the Polaris fault is located 6.5 km east of Truckee where progressive right-lateral displacement of middle to late Pleistocene deposits is evident. Glacial outwash deposits, aggraded during the Tioga glaciation, form a flat lying ‘fill’ terrace on both the north and south sides of the modern Truckee River. During the Tioga deglaciation melt water incised into the terrace producing fluvial scarps or terrace risers (Birkeland, 1964). Subsequently, the terrace risers on both banks have been right-laterally offset by the Polaris fault. By using T-LiDAR on an elevated tripod (4.25 m high), we collected 3D high-resolution (thousands of points per square meter; ± 4 mm) point-cloud imagery of the offset terrace risers. Vegetation was removed from the data using commercial software, and large protruding boulders were manually deleted to generate a bare-earth point-cloud dataset with an average data density of over 240 points per square meter. From the bare-earth point cloud we mathematically reconstructed a pristine terrace/scarp morphology on both sides of the fault, defined coupled sets of piercing points, and extracted a corresponding displacement vector. First, the Polaris fault was approximated as a vertical plane that bisects the offset terrace risers, as well as bisecting linear swales and tectonic depressions in the outwash terrace. Then, piercing points to the vertical fault plane were constructed from the geometry of the geomorphic elements on either side of the fault. On each side of the fault, the best-fit modeled outwash plane is projected laterally and the best-fit modeled terrace riser projected upward to a virtual intersection in space, creating a vector. These constructed vectors were projected to intersection with the fault plane, defining statistically significant piercing points. The distance between the coupled set of piercing points, within the plane of the fault, is the cumulative displacement vector. To assess the variability of the modeled geomorphic surfaces, including surface roughness and nonlinearity, we generated a suite of displacement models by systematically incorporating larger areas of the model domain symmetrically about the fault. Preliminary results of 10 models yield an average cumulative displacement of 5.6 m (1 Std Dev = 0.31 m). As previously described, Tioga deglaciation melt water incised into the outwash terrace leaving terrace risers that were subsequently offset by the Polaris fault. Therefore, the age of the Tioga outwash terrace represents a maximum limiting age of the tectonic displacement. Using regional age constraints of 15 to 13 kya for the Tioga outwash terrace (Benson et al., 1990; Clark and Gillespie, 1997; James et al., 2002) and the above model results, we estimate a preliminary minimum fault slip rate of 0.40 ± 0.05 mm/yr for the Polaris type-section site.

Methods to enhance seismic faults and construct fault surfaces

NASA Astrophysics Data System (ADS)

Wu, Xinming; Zhu, Zhihui

2017-10-01

Faults are often apparent as reflector discontinuities in a seismic volume. Numerous types of fault attributes have been proposed to highlight fault positions from a seismic volume by measuring reflection discontinuities. These attribute volumes, however, can be sensitive to noise and stratigraphic features that are also apparent as discontinuities in a seismic volume. We propose a matched filtering method to enhance a precomputed fault attribute volume, and simultaneously estimate fault strikes and dips. In this method, a set of efficient 2D exponential filters, oriented by all possible combinations of strike and dip angles, are applied to the input attribute volume to find the maximum filtering responses at all samples in the volume. These maximum filtering responses are recorded to obtain the enhanced fault attribute volume while the corresponding strike and dip angles, that yield the maximum filtering responses, are recoded to obtain volumes of fault strikes and dips. By doing this, we assume that a fault surface is locally planar, and a 2D smoothing filter will yield a maximum response if the smoothing plane coincides with a local fault plane. With the enhanced fault attribute volume and the estimated fault strike and dip volumes, we then compute oriented fault samples on the ridges of the enhanced fault attribute volume, and each sample is oriented by the estimated fault strike and dip. Fault surfaces can be constructed by directly linking the oriented fault samples with consistent fault strikes and dips. For complicated cases with missing fault samples and noisy samples, we further propose to use a perceptual grouping method to infer fault surfaces that reasonably fit the positions and orientations of the fault samples. We apply these methods to 3D synthetic and real examples and successfully extract multiple intersecting fault surfaces and complete fault surfaces without holes.

Mechanism and energetics of 〈c + a〉 dislocation cross-slip in hcp metals.

PubMed

Wu, Zhaoxuan; Curtin, W A

2016-10-04

Hexagonal close-packed (hcp) metals such as Mg, Ti, and Zr are lightweight and/or durable metals with critical structural applications in the automotive (Mg), aerospace (Ti), and nuclear (Zr) industries. The hcp structure, however, brings significant complications in the mechanisms of plastic deformation, strengthening, and ductility, and these complications pose significant challenges in advancing the science and engineering of these metals. In hcp metals, generalized plasticity requires the activation of slip on pyramidal planes, but the structure, motion, and cross-slip of the associated [Formula: see text] dislocations are not well established even though they determine ductility and influence strengthening. Here, atomistic simulations in Mg reveal the unusual mechanism of [Formula: see text] dislocation cross-slip between pyramidal I and II planes, which occurs by cross-slip of the individual partial dislocations. The energy barrier is controlled by a fundamental step/jog energy and the near-core energy difference between pyramidal [Formula: see text] dislocations. The near-core energy difference can be changed by nonglide stresses, leading to tension-compression asymmetry and even a switch in absolute stability from one glide plane to the other, both features observed experimentally in Mg, Ti, and their alloys. The unique cross-slip mechanism is governed by common features of the generalized stacking fault energy surfaces of hcp pyramidal planes and is thus expected to be generic to all hcp metals. An analytical model is developed to predict the cross-slip barrier as a function of the near-core energy difference and applied stresses and quantifies the controlling features of cross-slip and pyramidal I/II stability across the family of hcp metals.

Mechanism and energetics of 〈c + a〉 dislocation cross-slip in hcp metals

PubMed Central

Wu, Zhaoxuan; Curtin, W. A.

2016-01-01

Hexagonal close-packed (hcp) metals such as Mg, Ti, and Zr are lightweight and/or durable metals with critical structural applications in the automotive (Mg), aerospace (Ti), and nuclear (Zr) industries. The hcp structure, however, brings significant complications in the mechanisms of plastic deformation, strengthening, and ductility, and these complications pose significant challenges in advancing the science and engineering of these metals. In hcp metals, generalized plasticity requires the activation of slip on pyramidal planes, but the structure, motion, and cross-slip of the associated 〈c+a〉 dislocations are not well established even though they determine ductility and influence strengthening. Here, atomistic simulations in Mg reveal the unusual mechanism of 〈c+a〉 dislocation cross-slip between pyramidal I and II planes, which occurs by cross-slip of the individual partial dislocations. The energy barrier is controlled by a fundamental step/jog energy and the near-core energy difference between pyramidal 〈c+a〉 dislocations. The near-core energy difference can be changed by nonglide stresses, leading to tension–compression asymmetry and even a switch in absolute stability from one glide plane to the other, both features observed experimentally in Mg, Ti, and their alloys. The unique cross-slip mechanism is governed by common features of the generalized stacking fault energy surfaces of hcp pyramidal planes and is thus expected to be generic to all hcp metals. An analytical model is developed to predict the cross-slip barrier as a function of the near-core energy difference and applied stresses and quantifies the controlling features of cross-slip and pyramidal I/II stability across the family of hcp metals. PMID:27647908

Calcium and zirconium as texture modifiers during rolling and annealing of magnesium–zinc alloys

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

Bohlen, Jan, E-mail: jan.bohlen@hzg.de; Wendt, Joachim; Nienaber, Maria

2015-03-15

Rolling experiments were carried out on a ternary Mg–Zn–Ca alloy and its modification with zirconium. Short time annealing of as-rolled sheets is used to reveal the microstructure and texture development. The texture of the as-rolled sheets can be characterised by basal pole figures with split peak towards the rolling direction (RD) and a broad transverse angular spread of basal planes towards the transverse direction (TD). During annealing the RD split peaks as well as orientations in the sheet plane vanish whereas the distribution of orientations tilted towards the TD remains. It is shown in EBSD measurements that during rolling bandsmore » of twin containing structures form. During subsequent annealing basal orientations close to the sheet plane vanish based on a grain nucleation and growth mechanism of recrystallisation. Orientations with tilt towards the TD remain in grains that do not undergo such a mechanism. The addition of Zr delays texture weakening. - Highlights: • Ca in Mg–Zn-alloys contributes to a significant texture weakening during rolling and annealing. • Grain nucleation and growth in structures consisting of twins explain a texture randomisation during annealing. • Grains with transverse tilt of basal planes preferentially do not undergo a grain nucleation and growth mechanism. • Zr delays the microstructure and texture development.« less

Slip history and dynamic implications of the 1999 Chi-Chi, Taiwan, earthquake

USGS Publications Warehouse

Ji, C.; Helmberger, D.V.; Wald, D.J.; Ma, K.-F.

2003-01-01

We investigate the rupture process of the 1999 Chi-Chi, Taiwan, earthquake using extensive near-source observations, including three-component velocity waveforms at 36 strong motion stations and 119 GPS measurements. A three-plane fault geometry derived from our previous inversion using only static data [Ji et al., 2001] is applied. The slip amplitude, rake angle, rupture initiation time, and risetime function are inverted simultaneously with a recently developed finite fault inverse method that combines a wavelet transform approach with a simulated annealing algorithm [Ji et al., 2002b]. The inversion results are validated by the forward prediction of an independent data set, the teleseismic P and SH ground velocities, with notable agreement. The results show that the total seismic moment release of this earthquake is 2.7 ?? 1020 N m and that most of the slip occured in a triangular-shaped asperity involving two fault segments, which is consistent with our previous static inversion. The rupture front propagates with an average rupture velocity of ???2.0 km s-1, and the average slip duration (risetime) is 7.2 s. Several interesting observations related to the temporal evolution of the Chi-Chi earthquake are also investigated, including (1) the strong effect of the sinuous fault plane of the Chelungpu fault on spatial and temporal variations in slip history, (2) the intersection of fault 1 and fault 2 not being a strong impediment to the rupture propagation, and (3 the observation that the peak slip velocity near the surface is, in general, higher than on the deeper portion of the fault plane, as predicted by dynamic modeling.

Janus monolayers of transition metal dichalcogenides.

PubMed

Lu, Ang-Yu; Zhu, Hanyu; Xiao, Jun; Chuu, Chih-Piao; Han, Yimo; Chiu, Ming-Hui; Cheng, Chia-Chin; Yang, Chih-Wen; Wei, Kung-Hwa; Yang, Yiming; Wang, Yuan; Sokaras, Dimosthenis; Nordlund, Dennis; Yang, Peidong; Muller, David A; Chou, Mei-Yin; Zhang, Xiang; Li, Lain-Jong

2017-08-01

Structural symmetry-breaking plays a crucial role in determining the electronic band structures of two-dimensional materials. Tremendous efforts have been devoted to breaking the in-plane symmetry of graphene with electric fields on AB-stacked bilayers or stacked van der Waals heterostructures. In contrast, transition metal dichalcogenide monolayers are semiconductors with intrinsic in-plane asymmetry, leading to direct electronic bandgaps, distinctive optical properties and great potential in optoelectronics. Apart from their in-plane inversion asymmetry, an additional degree of freedom allowing spin manipulation can be induced by breaking the out-of-plane mirror symmetry with external electric fields or, as theoretically proposed, with an asymmetric out-of-plane structural configuration. Here, we report a synthetic strategy to grow Janus monolayers of transition metal dichalcogenides breaking the out-of-plane structural symmetry. In particular, based on a MoS 2 monolayer, we fully replace the top-layer S with Se atoms. We confirm the Janus structure of MoSSe directly by means of scanning transmission electron microscopy and energy-dependent X-ray photoelectron spectroscopy, and prove the existence of vertical dipoles by second harmonic generation and piezoresponse force microscopy measurements.

Automatic reconstruction of fault networks from seismicity catalogs: Three-dimensional optimal anisotropic dynamic clustering

NASA Astrophysics Data System (ADS)

Ouillon, G.; Ducorbier, C.; Sornette, D.

2008-01-01

We propose a new pattern recognition method that is able to reconstruct the three-dimensional structure of the active part of a fault network using the spatial location of earthquakes. The method is a generalization of the so-called dynamic clustering (or k means) method, that partitions a set of data points into clusters, using a global minimization criterion of the variance of the hypocenters locations about their center of mass. The new method improves on the original k means method by taking into account the full spatial covariance tensor of each cluster in order to partition the data set into fault-like, anisotropic clusters. Given a catalog of seismic events, the output is the optimal set of plane segments that fits the spatial structure of the data. Each plane segment is fully characterized by its location, size, and orientation. The main tunable parameter is the accuracy of the earthquake locations, which fixes the resolution, i.e., the residual variance of the fit. The resolution determines the number of fault segments needed to describe the earthquake catalog: the better the resolution, the finer the structure of the reconstructed fault segments. The algorithm successfully reconstructs the fault segments of synthetic earthquake catalogs. Applied to the real catalog constituted of a subset of the aftershock sequence of the 28 June 1992 Landers earthquake in southern California, the reconstructed plane segments fully agree with faults already known on geological maps or with blind faults that appear quite obvious in longer-term catalogs. Future improvements of the method are discussed, as well as its potential use in the multiscale study of the inner structure of fault zones.

Reservoir characterization and seal integrity of Jemir field in Niger Delta, Nigeria

NASA Astrophysics Data System (ADS)

Adagunodo, Theophilus Aanuoluwa; Sunmonu, Lukman Ayobami; Adabanija, Moruffdeen Adedapo

2017-05-01

Ignoring fault seal and depending solely on reservoir parameters and estimated hydrocarbon contacts can lead to extremely unequal division of reserves especially in oil fields dominated by structural traps where faults play an important role in trapping of hydrocarbons. These faults may be sealing or as conduit to fluid flow. In this study; three-dimensional seismic and well log data has been used to characterize the reservoirs and investigate the seal integrity of fault plane trending NW-SE and dip towards south in Jemir field, Niger-Delta for enhanced oil recovery. The petrophysical and volumetric analysis of the six reservoirs that were mapped as well as structural interpretation of the faults were done both qualitatively and quantitatively. In order to know the sealing potential of individual hydrocarbon bearing sand, horizon-fault intersection was done, volume of shale was determined, thickness of individual bed was estimated, and quality control involving throw analysis was done. Shale Gouge Ratio (SGR) and Hydrocarbon Column Height (HCH) (supportable and structure-supported) were also determined to assess the seal integrity of the faults in Jemir field. The petrophysical analysis indicated the porosity of traps on Jemir field ranged from 0.20 to 0.29 and the volumetric analyses showed that the Stock Tank Original Oil in Place varied between 5.5 and 173.4 Mbbl. The SGR ranged from leaking (<20%) to sealing (>60%) fault plane suggesting poor to moderate sealing. The supportable HCH of Jemir field ranged from 98.3 to 446.2 m while its Structure-supported HCH ranged from 12.1 to 101.7 m. The porosities of Jemir field are good enough for hydrocarbon production as exemplified by its oil reserve estimates. However, improper sealing of the fault plane might enhance hydrocarbon leakage.

On the small angle twist sub-grain boundaries in Ti3AlC2.

PubMed

Zhang, Hui; Zhang, Chao; Hu, Tao; Zhan, Xun; Wang, Xiaohui; Zhou, Yanchun

2016-04-01

Tilt-dominated grain boundaries have been investigated in depth in the deformation of MAX phases. In stark contrast, another important type of grain boundaries, twist grain boundaries, have long been overlooked. Here, we report on the observation of small angle twist sub-grain boundaries in a typical MAX phase Ti3AlC2 compressed at 1200 °C, which comprise hexagonal screw dislocation networks formed by basal dislocation reactions. By first-principles investigations on atomic-scale deformation and general stacking fault energy landscapes, it is unequivocally demonstrated that the twist sub-grain boundaries are most likely located between Al and Ti4f (Ti located at the 4f Wyckoff sites of P63/mmc) layers, with breaking of the weakly bonded Al-Ti4f. The twist angle increases with the increase of deformation and is estimated to be around 0.5° for a deformation of 26%. This work may shed light on sub-grain boundaries of MAX phases, and provide fundamental information for future atomic-scale simulations.

Optical and Structural Properties of Microcrystalline GaN on an Amorphous Substrate Prepared by a Combination of Molecular Beam Epitaxy and Metal-Organic Chemical Vapor Deposition

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

Min, Jung-Wook; Hwang, Hyeong-Yong; Kang, Eun-Kyu

2016-05-01

Microscale platelet-shaped GaN grains were grown on amorphous substrates by a combined epitaxial growth method of molecular beam epitaxy (MBE) and metal-organic chemical vapor deposition (MOCVD). First, MBE GaN was grown on an amorphous substrate as a pre-orienting layer and its structural properties were investigated. Second, MOCVD grown GaN samples using the different growth techniques of planar and selective area growth (SAG) were comparatively investigated by transmission electron microscopy (TEM), cathodoluminescence (CL), and photoluminescence (PL). In MOCVD planar GaN, strong bound exciton peaks dominated despite the high density of the threading dislocations (TDs). In MOCVD SAG GaN, on the othermore » hand, TDs were clearly reduced with bending, but basal stacking fault (BSF) PL peaks were observed at 3.42 eV. The combined epitaxial method not only provides a deep understanding of the growth behavior but also suggests an alternative approach for the growth of GaN on amorphous substances.« less

Field characterization of elastic properties across a fault zone reactivated by fluid injection

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

Jeanne, Pierre; Guglielmi, Yves; Rutqvist, Jonny

In this paper, we studied the elastic properties of a fault zone intersecting the Opalinus Clay formation at 300 m depth in the Mont Terri Underground Research Laboratory (Switzerland). Four controlled water injection experiments were performed in borehole straddle intervals set at successive locations across the fault zone. A three-component displacement sensor, which allowed capturing the borehole wall movements during injection, was used to estimate the elastic properties of representative locations across the fault zone, from the host rock to the damage zone to the fault core. Young's moduli were estimated by both an analytical approach and numerical finite differencemore » modeling. Results show a decrease in Young's modulus from the host rock to the damage zone by a factor of 5 and from the damage zone to the fault core by a factor of 2. In the host rock, our results are in reasonable agreement with laboratory data showing a strong elastic anisotropy characterized by the direction of the plane of isotropy parallel to the laminar structure of the shale formation. In the fault zone, strong rotations of the direction of anisotropy can be observed. Finally, the plane of isotropy can be oriented either parallel to bedding (when few discontinuities are present), parallel to the direction of the main fracture family intersecting the zone, and possibly oriented parallel or perpendicular to the fractures critically oriented for shear reactivation (when repeated past rupture along this plane has created a zone).« less

Field characterization of elastic properties across a fault zone reactivated by fluid injection

DOE PAGES

Jeanne, Pierre; Guglielmi, Yves; Rutqvist, Jonny; ...

2017-08-12

In this paper, we studied the elastic properties of a fault zone intersecting the Opalinus Clay formation at 300 m depth in the Mont Terri Underground Research Laboratory (Switzerland). Four controlled water injection experiments were performed in borehole straddle intervals set at successive locations across the fault zone. A three-component displacement sensor, which allowed capturing the borehole wall movements during injection, was used to estimate the elastic properties of representative locations across the fault zone, from the host rock to the damage zone to the fault core. Young's moduli were estimated by both an analytical approach and numerical finite differencemore » modeling. Results show a decrease in Young's modulus from the host rock to the damage zone by a factor of 5 and from the damage zone to the fault core by a factor of 2. In the host rock, our results are in reasonable agreement with laboratory data showing a strong elastic anisotropy characterized by the direction of the plane of isotropy parallel to the laminar structure of the shale formation. In the fault zone, strong rotations of the direction of anisotropy can be observed. Finally, the plane of isotropy can be oriented either parallel to bedding (when few discontinuities are present), parallel to the direction of the main fracture family intersecting the zone, and possibly oriented parallel or perpendicular to the fractures critically oriented for shear reactivation (when repeated past rupture along this plane has created a zone).« less

Fault model of the M7.1 intraslab earthquake on April 7 following the 2011 Great Tohoku earthquake (M9.0) estimated by the dense GPS network data

NASA Astrophysics Data System (ADS)

Miura, S.; Ohta, Y.; Ohzono, M.; Kita, S.; Iinuma, T.; Demachi, T.; Tachibana, K.; Nakayama, T.; Hirahara, S.; Suzuki, S.; Sato, T.; Uchida, N.; Hasegawa, A.; Umino, N.

2011-12-01

We propose a source fault model of the large intraslab earthquake with M7.1 deduced from a dense GPS network. The coseismic displacements obtained by GPS data analysis clearly show the spatial pattern specific to intraslab earthquakes not only in the horizontal components but also the vertical ones. A rectangular fault with uniform slip was estimated by a non-linear inversion approach. The results indicate that the simple rectangular fault model can explain the overall features of the observations. The amount of moment released is equivalent to Mw 7.17. The hypocenter depth of the main shock estimated by the Japan Meteorological Agency is slightly deeper than the neutral plane between down-dip compression (DC) and down-dip extension (DE) stress zones of the double-planed seismic zone. This suggests that the depth of the neutral plane was deepened by the huge slip of the 2011 M9.0 Tohoku earthquake, and the rupture of the thrust M7.1 earthquake was initiated at that depth, although more investigations are required to confirm this idea. The estimated fault plane has an angle of ~60 degrees from the surface of subducting Pacific plate. It is consistent with the hypothesis that intraslab earthquakes are thought to be reactivation of the preexisting hydrated weak zones made in bending process of oceanic plates around outer-rise regions.

Synergistic fusion of vertical graphene nanosheets and carbon nanotubes for high-performance supercapacitor electrodes.

PubMed

Seo, Dong Han; Yick, Samuel; Han, Zhao Jun; Fang, Jing Hua; Ostrikov, Kostya Ken

2014-08-01

Graphene and carbon nanotubes (CNTs) are attractive electrode materials for supercapacitors. However, challenges such as the substrate-limited growth of CNTs, nanotube bundling in liquid electrolytes, under-utilized basal planes, and stacking of graphene sheets have so far impeded their widespread application. Here we present a hybrid structure formed by the direct growth of CNTs onto vertical graphene nanosheets (VGNS). VGNS are fabricated by a green plasma-assisted method to break down and reconstruct a natural precursor into an ordered graphitic structure. The synergistic combination of CNTs and VGNS overcomes the challenges intrinsic to both materials. The resulting VGNS/CNTs hybrids show a high specific capacitance with good cycling stability. The charge storage is based mainly on the non-Faradaic mechanism. In addition, a series of optimization experiments were conducted to reveal the critical factors that are required to achieve the demonstrated high supercapacitor performance. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Measurement of the cleavage energy of graphite

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

Wang, Wen; Dai, Shuyang; Li, Xide

Here, the basal plane cleavage energy (CE) of graphite is a key material parameter for understanding many of the unusual properties of graphite, graphene and carbon nanotubes. Nonetheless, a wide range of values for the CE has been reported and no consensus has yet emerged. Here we report the first direct, accurate experimental measurement of the CE of graphite using a novel method based on the self-retraction phenomenon in graphite. The measured value, 0.37±0.01 J m –2 for the incommensurate state of bicrystal graphite, is nearly invariant with respect to temperature (22 °C≤T≤198 °C) and bicrystal twist angle, and insensitivemore » to impurities from the atmosphere. The CE for the ideal ABAB graphite stacking, 0.39±0.02 J m –2, is calculated based on a combination of the measured CE and a theoretical calculation. These experimental measurements are also ideal for use in evaluating the efficacy of competing theoretical approaches.« less

Measurement of the cleavage energy of graphite

DOE PAGES

Wang, Wen; Dai, Shuyang; Li, Xide; ...

2015-08-28

Here, the basal plane cleavage energy (CE) of graphite is a key material parameter for understanding many of the unusual properties of graphite, graphene and carbon nanotubes. Nonetheless, a wide range of values for the CE has been reported and no consensus has yet emerged. Here we report the first direct, accurate experimental measurement of the CE of graphite using a novel method based on the self-retraction phenomenon in graphite. The measured value, 0.37±0.01 J m –2 for the incommensurate state of bicrystal graphite, is nearly invariant with respect to temperature (22 °C≤T≤198 °C) and bicrystal twist angle, and insensitivemore » to impurities from the atmosphere. The CE for the ideal ABAB graphite stacking, 0.39±0.02 J m –2, is calculated based on a combination of the measured CE and a theoretical calculation. These experimental measurements are also ideal for use in evaluating the efficacy of competing theoretical approaches.« less

Fabric transition with dislocation creep of a carbonate fault zone in the brittle regime

NASA Astrophysics Data System (ADS)

Kim, Sungshil; Ree, Jin-Han; Han, Raehee; Kim, Nahyeon; Jung, Haemyeong

2018-01-01

Fabric transition by a switch in the dominant slip system of minerals in the plastic regime can be induced by changes in temperature, strain rate, or water content. We propose here this fabric transition by frictional heating in seismogenic fault zones in the brittle regime. The Garam Thrust in the Taebaeksan Basin of South Korea has a hanging wall of Cambrian dolostone juxtaposed against a footwall of Ordovician limestone and records a minimum displacement of 120 m. In a 10 cm thick plastically deformed layer adjacent to the principal slip layer of the fault zone, the lattice preferred orientation of calcite grains suggests that the dominant slip system changes, approaching the principal slip layer, from r 〈02-21〉 and e-twinning, through r 〈02-21〉 and basal 〈a〉, to basal 〈a〉. This fabric transition requires a high temperature-gradient of 40 °C/cm, which we infer to result from frictional heating of the seismic fault zone. We suggest that fabric transition within a thin plastically deformed layer adjacent to the principal slip layer of a fault zone indicates an unusually steep temperature gradient and provides strong evidence of seismic slip.

Insights into the relationship between surface and subsurface activity from mechanical modeling of the 1992 Landers M7.3 earthquake

NASA Astrophysics Data System (ADS)

Madden, E. H.; Pollard, D. D.

2009-12-01

Multi-fault, strike-slip earthquakes have proved difficult to incorporate into seismic hazard analyses due to the difficulty of determining the probability of these ruptures, despite collection of extensive data associated with such events. Modeling the mechanical behavior of these complex ruptures contributes to a better understanding of their occurrence by elucidating the relationship between surface and subsurface earthquake activity along transform faults. This insight is especially important for hazard mitigation, as multi-fault systems can produce earthquakes larger than those associated with any one fault involved. We present a linear elastic, quasi-static model of the southern portion of the 28 June 1992 Landers earthquake built in the boundary element software program Poly3D. This event did not rupture the extent of any one previously mapped fault, but trended 80km N and NW across segments of five sub-parallel, N-S and NW-SE striking faults. At M7.3, the earthquake was larger than the potential earthquakes associated with the individual faults that ruptured. The model extends from the Johnson Valley Fault, across the Landers-Kickapoo Fault, to the Homestead Valley Fault, using data associated with a six-week time period following the mainshock. It honors the complex surface deformation associated with this earthquake, which was well exposed in the desert environment and mapped extensively in the field and from aerial photos in the days immediately following the earthquake. Thus, the model incorporates the non-linearity and segmentation of the main rupture traces, the irregularity of fault slip distributions, and the associated secondary structures such as strike-slip splays and thrust faults. Interferometric Synthetic Aperture Radar (InSAR) images of the Landers event provided the first satellite images of ground deformation caused by a single seismic event and provide constraints on off-fault surface displacement in this six-week period. Insight is gained by comparing the density, magnitudes and focal plane orientations of relocated aftershocks for this time frame with the magnitude and orientation of planes of maximum Coulomb shear stress around the fault planes at depth.

Secondary Fracturing of Europa's Crust in Response to Combined Slip and Dilation Along Strike-Slip Faults

NASA Technical Reports Server (NTRS)

Kattenhorn, S. A.

2003-01-01

A commonly observed feature in faulted terrestrial rocks is the occurrence of secondary fractures alongside faults. Depending on exact morphology, such fractures have been termed tail cracks, wing cracks, kinks, or horsetail fractures, and typically form at the tip of a slipping fault or around small jogs or steps along a fault surface. The location and orientation of secondary fracturing with respect to the fault plane or the fault tip can be used to determine if fault motion is left-lateral or right-lateral.

Method of making porous conductive supports for electrodes. [by electroforming and stacking nickel foils

NASA Technical Reports Server (NTRS)

Schaer, G. R. (Inventor)

1973-01-01

Porous conductive supports for electrochemical cell electrodes are made by electroforming thin corrugated nickel foil, and by stacking pieces of the corrugated foil alternatively with pieces of thin flat nickel foil. Corrugations in successive corrugated pieces are oriented at different angles. Adjacent pieces of foil are bonded by heating in a hydrogen atmosphere and then cutting the stack in planes perpendicular to the foils.

Nucleation and growth of strike slip faults in granite.

USGS Publications Warehouse

Segall, P.; Pollard, D.P.

1983-01-01

Fractures within granodiorite of the central Sierra Nevada, California, were studied to elucidate the mechanics of faulting in crystalline rocks, with emphasis on the nucleation of new fault surfaces and their subsequent propagation and growth. Within the study area the fractures form a single, subparallel array which strikes N50o-70oE and dips steeply to the S. Some of these fractures are identified as joints because displacements across the fracture surfaces exhibit dilation but no slip. The joints are filled with undeformed minerals, including epidote and chlorite. Other fractures are identified as small faults because they display left-lateral strike slip separations of up to 2m. Slickensides, developed on fault surfaces, plunge 0o-20o to the E. The faults occur parallel to, and in the same outcrop with, the joints. The faults are filled with epidote, chlorite, and quartz, which exhibit textural evidence of shear deformation. These observations indicate that the strike slip faults nucleated on earlier formed, mineral filled joints. Secondary, dilational fractures propagated from near the ends of some small faults contemporaneously with the left-lateral slip on the faults. These fractures trend 25o+ or -10o from the fault planes, parallel to the direction of inferred local maximum compressive stress. The faults did not propagate into intact rock in their own planes as shear fractures. -from Authors

Lembang fault plane identification using electrical resistivity method for disaster mitigation

NASA Astrophysics Data System (ADS)

Maulinadya, S.; Ramadhan, M. Lutfi; N. Wening, F.; Pinehas, D.; Widodo

2017-07-01

Lembang Fault is an active fault lies from West to East located 10 kilometers in north of Bandung. It is a normal fault that its foot wall raises 40-450 meters above the ground. Its location that is not so far from Bandung, which is densely populated and frequently visited by tourists, makes Lembang Fault a threat if it becomes suddenly active. Its movement can cause earthquakes that can result in fatalities. Therefore, act of mitigation is necessary, such as educating people about Lembang Fault and its potential to cause disaster. The objective of this study is to find Lembang Fault plane below the surface with geo electrical mapping method and vertical elect rical sounding method around Ciwarega and The Peak, Lembang (west side of Lembang Fault). Both of these methods are using electricity current to measure rock resistivity. Currents are injected to the ground and potential differences are measured. According to Ohm's Law, resistivity can be calculated so that resistivity distribution can be obtained. In this study, high resistivity contrast is obtained; it is about 1400-5000 Ohm.m. This resistivity contrast can be caused by lateral lithology difference resulted by fault existence. This proves that there is actually a fault in Lembang that potentially cause disasters like earthquakes.

Growth of Defect-Free 3C-SiC on 4H- and 6H-SiC Mesas Using Step-Free Surface Heteroepitaxy

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.; Powell, J. Anthony; Trunek, Andrew J.; Huang, Xianrong R.; Dudley, Michael

2001-01-01

A new growth process, herein named step-free surface heteroepitaxy, has achieved 3CSiC films completely free of double positioning boundaries and stacking faults on 4H-SiC and 6H-SiC substrate mesas. The process is based upon the initial 2-dimensional nucleation and lateral expansion of a single island of 3C-SiC on a 4H- or 6H-SiC mesa surface that is completely free of bilayer surface steps. Our experimental results indicate that substrate-epilayer in-plane lattice mismatch (delta a/a = 0.0854% for 3C/4H) is at least partially relieved parallel to the interface in the initial bilayers of the heterofilm, producing an at least partially relaxed 3C-SiC film without dislocations that undesirably thread through the thickness of the epilayer. This result should enable realization of improved 3C-SiC devices.

Shock compression of [001] single crystal silicon

DOE PAGES

Zhao, S.; Remington, B.; Hahn, E. N.; ...

2016-03-14

Silicon is ubiquitous in our advanced technological society, yet our current understanding of change to its mechanical response at extreme pressures and strain-rates is far from complete. This is due to its brittleness, making recovery experiments difficult. High-power, short-duration, laser-driven, shock compression and recovery experiments on [001] silicon (using impedance-matched momentum traps) unveiled remarkable structural changes observed by transmission electron microscopy. As laser energy increases, corresponding to an increase in peak shock pressure, the following plastic responses are are observed: surface cleavage along {111} planes, dislocations and stacking faults; bands of amorphized material initially forming on crystallographic orientations consistent withmore » dislocation slip; and coarse regions of amorphized material. Molecular dynamics simulations approach equivalent length and time scales to laser experiments and reveal the evolution of shock-induced partial dislocations and their crucial role in the preliminary stages of amorphization. Furthermore, application of coupled hydrostatic and shear stresses produce amorphization below the hydrostatically determined critical melting pressure under dynamic shock compression.« less

Shock compression of [001] single crystal silicon

NASA Astrophysics Data System (ADS)

Zhao, S.; Hahn, E. N.; Kad, B.; Remington, B. A.; Bringa, E. M.; Meyers, M. A.

2016-05-01

Silicon is ubiquitous in our advanced technological society, yet our current understanding of change to its mechanical response at extreme pressures and strain-rates is far from complete. This is due to its brittleness, making recovery experiments difficult. High-power, short-duration, laser-driven, shock compression and recovery experiments on [001] silicon (using impedance-matched momentum traps) unveiled remarkable structural changes observed by transmission electron microscopy. As laser energy increases, corresponding to an increase in peak shock pressure, the following plastic responses are are observed: surface cleavage along {111} planes, dislocations and stacking faults; bands of amorphized material initially forming on crystallographic orientations consistent with dislocation slip; and coarse regions of amorphized material. Molecular dynamics simulations approach equivalent length and time scales to laser experiments and reveal the evolution of shock-induced partial dislocations and their crucial role in the preliminary stages of amorphization. Application of coupled hydrostatic and shear stresses produce amorphization below the hydrostatically determined critical melting pressure under dynamic shock compression.

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

Weickert, F.; Civale, L.; Maiorov, B.

Here, we present magnetization measurements on Sr4Ru3O10 as a function of temperature and magnetic field applied perpendicular to the magnetic easy c-axis inside the ferromagnetic phase. Peculiar metamagnetism evolves in Sr4Ru3O10 below the ferromagnetic transition TC as a double step in the magnetization at two critical fields Hc1 and Hc2. We map the H-T phase diagram with special focus on the temperature range 50 K ≤T≤TC. We find that the critical field Hc1(T) connects the field and temperature axes of the phase diagram, whereas the Hc2 boundary starts at 2.8 T for the lowest temperatures and ends in a criticalmore » endpoint at (1 T; 80 K). We also conclude from the temperature dependence of the ratio Hc1Hc2(T) that the double metamagnetic transition is an intrinsic effect of the material and it is not caused by sample stacking faults such as twinning or partial in-plane rotation between layers.« less

MicroED Structure of Au146(p-MBA)57 at Subatomic Resolution Reveals a Twinned FCC Cluster.

PubMed

Vergara, Sandra; Lukes, Dylan A; Martynowycz, Michael W; Santiago, Ulises; Plascencia-Villa, Germán; Weiss, Simon C; de la Cruz, M Jason; Black, David M; Alvarez, Marcos M; López-Lozano, Xochitl; Barnes, Christopher O; Lin, Guowu; Weissker, Hans-Christian; Whetten, Robert L; Gonen, Tamir; Yacaman, Miguel Jose; Calero, Guillermo

2017-11-16

Solving the atomic structure of metallic clusters is fundamental to understanding their optical, electronic, and chemical properties. Herein we present the structure of the largest aqueous gold cluster, Au 146 (p-MBA) 57 (p-MBA: para-mercaptobenzoic acid), solved by electron micro-diffraction (MicroED) to subatomic resolution (0.85 Å) and by X-ray diffraction at atomic resolution (1.3 Å). The 146 gold atoms may be decomposed into two constituent sets consisting of 119 core and 27 peripheral atoms. The core atoms are organized in a twinned FCC structure, whereas the surface gold atoms follow a C 2 rotational symmetry about an axis bisecting the twinning plane. The protective layer of 57 p-MBAs fully encloses the cluster and comprises bridging, monomeric, and dimeric staple motifs. Au 146 (p-MBA) 57 is the largest cluster observed exhibiting a bulk-like FCC structure as well as the smallest gold particle exhibiting a stacking fault.

MicroED structure of Au146(p-MBA)57 at subatomic resolution reveals a twinned FCC cluster

PubMed Central

Vergara, Sandra; Lukes, Dylan A.; Martynowycz, Michael W.; Santiago, Ulises; Plascencia-Villa, German; Weiss, Simon C.; de la Cruz, M. Jason; Black, David M.; Alvarez, Marcos M.; Lopez-Lozano, Xochitl; Barnes, Christopher O.; Lin, Guowu; Weissker, Hans-Christian; Whetten, Robert L.; Gonen, Tamir; Jose-Yacaman, Miguel; Calero, Guillermo

2018-01-01

Solving the atomic structure of metallic clusters is fundamental to understanding their optical, electronic, and chemical properties. Herein we present the structure of the largest aqueous gold cluster, Au146(p-MBA)57 (p-MBA: para-mercaptobenzoic acid), solved by electron diffraction (MicroED) to subatomic resolution (0.85 Å) and by X-ray diffraction at atomic resolution (1.3 Å). The 146 gold atoms may be decomposed into two constituent sets consisting of 119 core and 27 peripheral atoms. The core atoms are organized in a twinned FCC structure whereas the surface gold atoms follow a C2 rotational symmetry about an axis bisecting the twinning plane. The protective layer of 57 p-MBAs fully encloses the cluster and comprises bridging, monomeric, and dimeric staple motifs. Au146(p-MBA)57 is the largest cluster observed exhibiting a bulk-like FCC structure as well as the smallest gold particle exhibiting a stacking fault. PMID:29072840

Direct observation of a surface resonance state and surface band inversion control in black phosphorus

NASA Astrophysics Data System (ADS)

Ehlen, N.; Sanna, A.; Senkovskiy, B. V.; Petaccia, L.; Fedorov, A. V.; Profeta, G.; Grüneis, A.

2018-01-01

We report a Cs-doping-induced band inversion and the direct observation of a surface resonance state with an elliptical Fermi surface in black phosphorus (BP) using angle-resolved photoemission spectroscopy. By selectively inducing a higher electron concentration (1.7 ×1014cm-2 ) in the topmost layer, the changes in the Coulomb potential are sufficiently large to cause surface band inversion between the parabolic valence band of BP and a parabolic surface state around the Γ point of the BP Brillouin zone. Tight-binding calculations reveal that band gap openings at the crossing points in the two high-symmetry directions of the Brillouin zone require out-of-plane hopping and breaking of the glide mirror symmetry. Ab initio calculations are in very good agreement with the experiment if a stacking fault on the BP surface is taken into account. The demonstrated level of control over the band structure suggests the potential application of few-layer phosphorene in topological field-effect transistors.

Analysis of synthetic diamond single crystals by X-ray topography and double-crystal diffractometry

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

Prokhorov, I. A., E-mail: igor.prokhorov@mail.ru; Ralchenko, V. G.; Bolshakov, A. P.

2013-12-15

Structural features of diamond single crystals synthesized under high pressure and homoepitaxial films grown by chemical vapor deposition (CVD) have been analyzed by double-crystal X-ray diffractometry and topography. The conditions of a diffraction analysis of diamond crystals using Ge monochromators have been optimized. The main structural defects (dislocations, stacking faults, growth striations, second-phase inclusions, etc.) formed during crystal growth have been revealed. The nitrogen concentration in high-pressure/high-temperature (HPHT) diamond substrates is estimated based on X-ray diffraction data. The formation of dislocation bundles at the film-substrate interface in the epitaxial structures has been revealed by plane-wave topography; these dislocations are likelymore » due to the relaxation of elastic macroscopic stresses caused by the lattice mismatch between the substrate and film. The critical thicknesses of plastic relaxation onset in CVD diamond films are calculated. The experimental techniques for studying the real diamond structure in optimizing crystal-growth technology are proven to be highly efficient.« less

Defining the origins of electron transfer at screen-printed graphene-like and graphite electrodes: MoO2 nanowire fabrication on edge plane sites reveals electrochemical insights.

PubMed

Rowley-Neale, Samuel J; Brownson, Dale A C; Banks, Craig E

2016-08-18

Molybdenum (di)oxide (MoO2) nanowires are fabricated onto graphene-like and graphite screen-printed electrodes (SPEs) for the first time, revealing crucial insights into the electrochemical properties of carbon/graphitic based materials. Distinctive patterns observed in the electrochemical process of nanowire decoration show that electron transfer occurs predominantly on edge plane sites when utilising SPEs fabricated/comprised of graphitic materials. Nanowire fabrication along the edge plane sites (and on edge plane like-sites/defects) of graphene/graphite is confirmed with Cyclic Voltammetry, Scanning Electron Microscopy (SEM) and Raman Spectroscopy. Comparison of the heterogeneous electron transfer (HET) rate constants (k°) at unmodified and nanowire coated SPEs show a reduction in the electrochemical reactivity of SPEs when the edge plane sites are effectively blocked/coated with MoO2. Throughout the process, the basal plane sites of the graphene/graphite electrodes remain relatively uncovered; except when the available edge plane sites have been utilised, in which case MoO2 deposition grows from the edge sites covering the entire surface of the electrode. This work clearly illustrates the distinct electron transfer properties of edge and basal plane sites on graphitic materials, indicating favourable electrochemical reactivity at the edge planes in contrast to limited reactivity at the basal plane sites. In addition to providing fundamental insights into the electron transfer properties of graphite and graphene-like SPEs, the reported simple, scalable, and cost effective formation of unique and intriguing MoO2 nanowires realised herein is of significant interest for use in both academic and commercial applications.

The 13 January 2001 El Salvador earthquake: A multidata analysis

NASA Astrophysics Data System (ADS)

ValléE, Martin; Bouchon, Michel; Schwartz, Susan Y.

2003-04-01

On 13 January 2001, a large normal faulting intermediate depth event (Mw = 7.7) occurred 40 km off the El Salvadorian coast (Central America). We analyze this earthquake using teleseismic, regional, and local data. We first build a kinematic source model by simultaneously inverting P and SH displacement waveforms and source time functions derived from surface waves using an empirical Green's function analysis. In an attempt to discriminate between the two nodal planes (30° trenchward dipping and 60° landward dipping), we perform identical inversions using both possible fault planes. After relocating the hypocentral depth at 54 km, we retrieve the kinematic features of the rupture using a combination of the Neighborhood algorithm of [1999] and the Simplex method allowing for variable rupture velocity and slip. We find updip rupture propagation yielding a centroid depth around 47 km for both assumed fault planes with a larger variance reduction obtained using the 60° landward dipping nodal plane. We test the two possible fault models using regional broadband data and near-field accelerograms provided by [2001]. Near-field data confirm that the steeper landward dipping nodal plane is preferred. Rupture propagated mostly updip and to the northwest, resulting in a main moment release zone of approximately 25 km × 50 km with an average slip of ˜3.5 m. The large slip occurs near the interplate interface at a location where the slab steepens dip significantly. The occurrence of this event is well-explained by bending of the subducting plate.

Slicken 1.0: Program for calculating the orientation of shear on reactivated faults

NASA Astrophysics Data System (ADS)

Xu, Hong; Xu, Shunshan; Nieto-Samaniego, Ángel F.; Alaniz-Álvarez, Susana A.

2017-07-01

The slip vector on a fault is an important parameter in the study of the movement history of a fault and its faulting mechanism. Although there exist many graphical programs to represent the shear stress (or slickenline) orientations on faults, programs to quantitatively calculate the orientation of fault slip based on a given stress field are scarce. In consequence, we develop Slicken 1.0, a software to rapidly calculate the orientation of maximum shear stress on any fault plane. For this direct method of calculating the resolved shear stress on a planar surface, the input data are the unit vector normal to the involved plane, the unit vectors of the three principal stress axes, and the stress ratio. The advantage of this program is that the vertical or horizontal principal stresses are not necessarily required. Due to its nimble design using Java SE 8.0, it runs on most operating systems with the corresponding Java VM. The software program will be practical for geoscience students, geologists and engineers and will help resolve a deficiency in field geology, and structural and engineering geology.

Forecast model for great earthquakes at the Nankai Trough subduction zone

USGS Publications Warehouse

Stuart, W.D.

1988-01-01

An earthquake instability model is formulated for recurring great earthquakes at the Nankai Trough subduction zone in southwest Japan. The model is quasistatic, two-dimensional, and has a displacement and velocity dependent constitutive law applied at the fault plane. A constant rate of fault slip at depth represents forcing due to relative motion of the Philippine Sea and Eurasian plates. The model simulates fault slip and stress for all parts of repeated earthquake cycles, including post-, inter-, pre- and coseismic stages. Calculated ground uplift is in agreement with most of the main features of elevation changes observed before and after the M=8.1 1946 Nankaido earthquake. In model simulations, accelerating fault slip has two time-scales. The first time-scale is several years long and is interpreted as an intermediate-term precursor. The second time-scale is a few days long and is interpreted as a short-term precursor. Accelerating fault slip on both time-scales causes anomalous elevation changes of the ground surface over the fault plane of 100 mm or less within 50 km of the fault trace. ?? 1988 Birkha??user Verlag.

From thrusting to transpressional tectonics in the Aghdarband Basin (NE Iran): evidence for Cimmerian oblique convergence

NASA Astrophysics Data System (ADS)

Zanchi, Andrea; Balini, Marco; Ghassemi, Mohammad Reza; Zanchetta, Stefano

2010-05-01

The Aghdarband Basin, consisting of a strongly deformed arc-related Triassic marine succession, is a key-area for the study of the Cimmerian events, as it is unconformably covered by mid-Jurassic gently folded sediments entirely sealing the Cimmerian compressive structures. The basin developed during part of the Triassic in a highly mobile tectonic context suggested by abrupt facies variations and local unconformities. In addition, syn-sedimentary tectonic activity is testified by the occurrence of carbonate olistholiths in the deepest parts of the basin. The marine succession, spanning from Olenekian to lowermost Carnian, shows at the base continental conglomerates andsandstones, as well as basaltic lava flows, possibly of Early Triassic age. They are followed by the shallow water Sefid Kuh Limestone, in which an intraformational unconformity has been now identified. This unit is locally covered by deep-water limestones of the Nazarkardeh Fm. which interfinger with slope facies of the Sefid Kuh Limestone. The volcaniclastic sandstone layers of the Sina Fm follow up-section with a deep unconformity, marked in several places by deep erosion and tilting of the underlying units. The Sina Fm. is in turn unconformably covered by the coal bearing shales of the Miankhui Fm., with a Norian-Rhaetian age testified by plant megafossils, marking the end of marine sedimentation and of volcanic-arc activity. The Triassic units are overthrusted to the south by Upper Palaeozoic siliciclastic successions showing in some cases a LG metamorphic imprint. They largely include the Qara Geithan Fm. consisting of granitic rocks, acidic to basic volcanics, and locally also large blocks of Permian bioclastic limestones derived from the erosion of the Palaeotethys accretionary wedge, exposed south of Aghdarband. The whole succession of the Aghdarband Basin, including the unconformable Miankhui Fm., is deeply involved in a north-verging thrust stack which interacts in the northern part of the area with an important strike-slip shear zone. Several tectonic units have been recognized within the Triassic succession, causing repetitions of the whole stratigraphic succession. Two main thrust sheets are exposed in the southern part of the basin under the Upper Palaeozoic thrust stack. Thrust faults and folds consistently show a N-directed tectonic transport, suggested by dip-slip motion along S-dipping reverse faults and axial plane geometry. Deformation occurred at shallow levels taking to the formation of cataclastic shear zones and to disjunctive and pencil cleavage in the shale layers of the succession. The thrust sheets comprise the Miankhui Fm. which shows a thick basal coal layer (up to 10 m) deeply excavated at the Aghdarband Mine. Nice examples of coal-related tectonics are exposed in open pits and tunnels of the mine. Intensive deformation of the coal, forming complex shear zones with s-c bands, causes the décollement of the Miankhui beds which show intensive tectonic thickening and repetitions mainly caused by polyphase thrust imbrications and disharmonic folding. The northernmost part of the Triassic basin shows a very complex setting, with traspressional structures given by vertical strike-slip faults and closed to tight folds with steeply plunging axes. According to our new data, up to four tectonic slices can be distinguished in this complex area. This structural zone is directly bounded to the north by severely deformed LG metamorphic rocks resulting from a volcaniclastic succession with Devonian and Carboniferous marble layers. Systematic asymmetry of major and parasitic folds, as well as rotation and torsion of axial surfaces indicate a general left-lateral transpressional regime, whereas kinematic indicators along the main fault planes show both left- and right-lateral motions. According to our relative chronology, dextral movements follow in time the sinistral ones reactivating previous Cimmerian structures and displacing also the surrounding Jurassic to Neogene succession of Kopeh Dagh in relatively recent times. Fold analyses along the area of interaction between thrust structure and the transpressional zone suggest an intricate interference pattern between thrust-related folds and strike-slip brittle shear zones, suggesting that the latter caused a strong reorientation of previously formed folds. The extension of the traspressional zone, which can be followed for some 20 km across the study area, indicates that important left-lateral movements, roughly parallel to the orientation of the convergence zone, were active during the last stages of the Late Triassic Cimmerian event, in contrast to what indicated by previous authors in the Mashhad area.

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.

3-D Spontaneous Rupture Simulations of the 2016 Kumamoto, Japan, Earthquake

NASA Astrophysics Data System (ADS)

Urata, Yumi; Yoshida, Keisuke; Fukuyama, Eiichi

2017-04-01

We investigated the M7.3 Kumamoto, Japan, earthquake to illuminate why and how the rupture of the main shock propagated successfully by 3-D dynamic rupture simulations, assuming a complicated fault geometry estimated based on the distributions of aftershocks. The M7.3 main shock occurred along the Futagawa and Hinagu faults. A few days before, three M6-class foreshocks occurred. Their hypocenters were located along by the Hinagu and Futagawa faults and their focal mechanisms were similar to those of the main shock; therefore, an extensive stress shadow can have been generated on the fault plane of the main shock. First, we estimated the geometry of the fault planes of the three foreshocks as well as that of the main shock based on the temporal evolution of relocated aftershock hypocenters. Then, we evaluated static stress changes on the main shock fault plane due to the occurrence of the three foreshocks assuming elliptical cracks with constant stress drops on the estimated fault planes. The obtained static stress change distribution indicated that the hypocenter of the main shock is located on the region with positive Coulomb failure stress change (ΔCFS) while ΔCFS in the shallow region above the hypocenter was negative. Therefore, these foreshocks could encourage the initiation of the main shock rupture and could hinder the rupture propagating toward the shallow region. Finally, we conducted 3-D dynamic rupture simulations of the main shock using the initial stress distribution, which was the sum of the static stress changes by these foreshocks and the regional stress field. Assuming a slip-weakening law with uniform friction parameters, we conducted 3-D dynamic rupture simulations by varying the friction parameters and the values of the principal stresses. We obtained feasible parameter ranges to reproduce the rupture propagation of the main shock consistent with those revealed by seismic waveform analyses. We also demonstrated that the free surface encouraged the slip evolution of the main shock.

Automatic fault tracing of active faults in the Sutlej valley (NW-Himalayas, India)

NASA Astrophysics Data System (ADS)

Janda, C.; Faber, R.; Hager, C.; Grasemann, B.

2003-04-01

In the Sutlej Valley the Lesser Himalayan Crystalline Sequence (LHCS) is actively extruding between the Munsiari Thrust (MT) at the base, and the Karcham Normal Fault (KNF) at the top. The clear evidences for ongoing deformation are brittle faults in Holocene lake deposits, hot springs activity near the faults and dramatically younger cooling ages within the LHCS (Vannay and Grasemann, 2001). Because these brittle fault zones obviously influence the morphology in the field we developed a new method for automatically tracing the intersections of planar fault geometries with digital elevation models (Faber, 2002). Traditional mapping techniques use structure contours (i.e. lines or curves connecting points of equal elevation on a geological structure) in order to construct intersections of geological structures with topographic maps. However, even if the geological structure is approximated by a plane and therefore structure contours are equally spaced lines, this technique is rather time consuming and inaccurate, because errors are cumulative. Drawing structure contours by hand makes it also impossible to slightly change the azimuth and dip direction of the favoured plane without redrawing everything from the beginning on. However, small variations of the fault position which are easily possible by either inaccuracies of measurement in the field or small local variations in the trend and/or dip of the fault planes can have big effects on the intersection with topography. The developed method allows to interactively view intersections in a 2D and 3D mode. Unlimited numbers of planes can be moved separately in 3 dimensions (translation and rotation) and intersections with the topography probably following morphological features can be mapped. Besides the increase of efficiency this method underlines the shortcoming of classical lineament extraction ignoring the dip of planar structures. Using this method, areas of active faulting influencing the morphology, can be mapped near the MT and the KNF suggesting that the most active zones are restricted to the Sutlej Valley. Faber R., 2002: WinGeol - Software for Analyzing and Visualization of Geological data, Department of Geological Sciences, University of Vienna. Vannay, J.-C., Grasemann, B., 2001. Himalayan inverted metamorphism and syn-convergence extension as a consequence of a general shear extrusion. Geol. Mag. 138 (3), 253-276.

The buried active faults in southeastern China as revealed by the relocated background seismicity and fault plane solutions

NASA Astrophysics Data System (ADS)

Zhu, A.; Wang, P.; Liu, F.

2017-12-01

The southeastern China in the mainland corresponds to the south China block, which is characterized by moderate historical seismicity and low stain rate. Most faults are buried under thick Quaternary deposits, so it is difficult to detect and locate them using the routine geological methods. Only a few have been identified to be active in late Quaternary, which leads to relatively high potentially seismic risk to this region due to the unexpected locations of the earthquakes. We performed both hypoDD and tomoDD for the background seismicity from 2000 to 2016 to investigate the buried faults. Some buried active faults are revealed by the relocated seismicity and the velocity structure, no geologically known faults corresponding to them and no surface active evidence ever observed. The geometries of the faults are obtained by analyzing the hypocentral distribution pattern and focal mechanism. The focal mechanism solutions indicate that all the revealed faults are dominated in strike-slip mechanisms, or with some thrust components. While the previous fault investigation and detection results show that most of the Quaternary faults in southeastern China are dominated by normal movement. It suggests that there may exist two fault systems in deep and shallow tectonic regimes. The revealed faults may construct the deep one that act as the seismogenic faults, and the normal faults at shallow cannot generate the destructive earthquakes. The variation in the Curie-point depths agrees well with the structure plane of the revealed active faults, suggesting that the faults may have changed the deep structure.

EBSD in Antarctic and Greenland Ice

NASA Astrophysics Data System (ADS)

Weikusat, Ilka; Kuiper, Ernst-Jan; Pennock, Gill; Sepp, Kipfstuhl; Drury, Martyn

2017-04-01

Ice, particularly the extensive amounts found in the polar ice sheets, impacts directly on the global climate by changing the albedo and indirectly by supplying an enormous water reservoir that affects sea level change. The discharge of material into the oceans is partly controlled by the melt excess over snow accumulation, partly by the dynamic flow of ice. In addition to sliding over bedrock, an ice body deforms gravitationally under its own weight. In order to improve our description of this flow, ice microstructure studies are needed that elucidate the dominant deformation and recrystallization mechanisms involved. Deformation of hexagonal ice is highly anisotropic: ice is easily sheared in the basal plane and is about two orders of magnitude harder parallel to the c-axis. As dislocation creep is the dominant deformation mechanism in polar ice this strong anisotropy needs to be understood in terms of dislocation activity. The high anisotropy of the ice crystal is usually ascribed to a particular behaviour of dislocations in ice, namely the extension of dislocations into partials on the basal plane. Analysis of EBSD data can help our understanding of dislocation activity by characterizing subgrain boundary types thus providing a tool for comprehensive dislocation characterization in polar ice. Cryo-EBSD microstructure in combination with light microscopy measurements from ice core material from Antarctica (EPICA-DML deep ice core) and Greenland (NEEM deep ice core) are presented and interpreted regarding substructure identification and characterization. We examined one depth for each ice core (EDML: 656 m, NEEM: 719 m) to obtain the first comparison of slip system activity from the two ice sheets. The subgrain boundary to grain boundary threshold misorientation was taken to be 3-5° (Weikusat et al. 2011). EBSD analyses suggest that a large portion of edge dislocations with slip systems basal gliding on the basal plane were indeed involved in forming subgrain boundaries. However, an almost equal number of tilt subgrain boundaries were measured, involving dislocations gliding on non-basal planes (prism or prism slip). A few subgrain boundaries involving prism edge dislocation glide, as well as boundaries involving basal twist dislocation slip, were also identified. The finding that subgrain boundaries built up by dislocations gliding on non-basal planes are as frequent as those originating from basal plane slip is surprising and has impact on the discussion on rate-controlling processes for the ice flow descriptions of large ice masses with respect to sea-level evolution. Weikusat, I.; Miyamoto, A.; Faria, S. H.; Kipfstuhl, S.; Azuma, N. & Hondoh, T.: Subgrain boundaries in Antarctic ice quantified by X-ray Laue diffraction J. Glaciol., 2011, 57, 85-94

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

Dislocation dynamics simulations of interactions between gliding dislocations and radiation induced prismatic loops in zirconium

NASA Astrophysics Data System (ADS)

Drouet, Julie; Dupuy, Laurent; Onimus, Fabien; Mompiou, Frédéric; Perusin, Simon; Ambard, Antoine

2014-06-01

The mechanical behavior of Pressurized Water Reactor fuel cladding tubes made of zirconium alloys is strongly affected by neutron irradiation due to the high density of radiation induced dislocation loops. In order to investigate the interaction mechanisms between gliding dislocations and loops in zirconium, a new nodal dislocation dynamics code, adapted to Hexagonal Close Packed metals, has been used. Various configurations have been systematically computed considering different glide planes, basal or prismatic, and different characters, edge or screw, for gliding dislocations with -type Burgers vectors. Simulations show various interaction mechanisms such as (i) absorption of a loop on an edge dislocation leading to the formation of a double super-jog, (ii) creation of a helical turn, on a screw dislocation, that acts as a strong pinning point or (iii) sweeping of a loop by a gliding dislocation. It is shown that the clearing of loops is more favorable when the dislocation glides in the basal plane than in the prismatic plane explaining the easy dislocation channeling in the basal plane observed after neutron irradiation by transmission electron microscopy.

Hydration behavior at the ice-binding surface of the Tenebrio molitor antifreeze protein.

PubMed

Midya, Uday Sankar; Bandyopadhyay, Sanjoy

2014-05-08

Molecular dynamics (MD) simulations have been carried out at two different temperatures (300 and 220 K) to study the conformational rigidity of the hyperactive Tenebrio molitor antifreeze protein (TmAFP) in aqueous medium and the structural arrangements of water molecules hydrating its surface. It is found that irrespective of the temperature the ice-binding surface (IBS) of the protein is relatively more rigid than its nonice-binding surface (NIBS). The presence of a set of regularly arranged internally bound water molecules is found to play an important role in maintaining the flat rigid nature of the IBS. Importantly, the calculations reveal that the strategically located hydroxyl oxygens of the threonine (Thr) residues in the IBS influence the arrangements of five sets of ordered waters around it on two parallel planes that closely resemble the basal plane of ice. As a result, these waters can register well with the ice basal plane, thereby allowing the IBS to preferentially bind at the ice interface and inhibit its growth. This provides a possible molecular reason behind the ice-binding activity of TmAFP at the basal plane of ice.

Size matters: The effects of displacement magnitude on the fluid flow properties of faults in poorly lithified sediments

NASA Astrophysics Data System (ADS)

Loveless, S. E.; Bense, V.; Turner, J.

2011-12-01

Many aquifers worldwide occur in poorly lithified sediments, often in regions that experience active tectonic deformation. Faulting of these sediments introduces heterogeneities that may affect aquifer porosity and permeability, and consequently subsurface fluid flow and groundwater storage. The specific hydrogeological effects of faults depend upon the fault architecture and deformation mechanisms. These are controlled by factors such as rheology, stratigraphy and burial depth. Here, we analyse fault permeability in poorly lithified sediments as a function of fault displacement. We have carried out detailed outcrop studies of minor normal faults at five study sites within the rapidly extending Corinth rift, Central Greece. Gravel conglomerates of giant Gilbert delta facies form productive but localised shallow aquifers within the region. Exposures reveal dense (average 20 faults per 100 m) networks of minor (0.1 to 50 m displacement) normal faults within the uplifted sequences, proximal to many of the crustal-scale normal faults. Analysis of 42 faults shows that fault zones are primarily composed of smeared beds that can either retain their definition or mix with surrounding sediment. Lenses or blocks of sediment are common in fault zones that cut beds with contrasting rheology, and a few faults have a clay core and/or damage zone. Fault thickness increases at a rate of about 0.4 m per 10 m increase in displacement. Comparison of sediment micro-structures from the field, hand samples and thin sections show grain-scale sediment mixing, fracturing of clasts, and in some cases cementation, within fault zones. In faults with displacements >12 m we also find a number of roughly parallel, highly indurated shear planes, up to 20 mm in thickness, composed of highly fragmented clasts and a fine grained matrix. Image analysis of thin sections from hand samples collected in the field was used to quantify the porosity of fault zones and adjacent undeformed sediment. These data show a reduction in average porosity from 21% (± 4) in undisturbed sediments to 14% (± 8) within fault zones. We find that fault zone porosity decreases by approximately 5% per 1 m displacement (up to 2 m displacement), as sediments undergo greater micro-scale deformation. Porosity within the shear planes of larger displacement faults (> 12 m) is significantly less than 5%. In summary, with an increase in fault displacement there is an increase in fault thickness and decrease in fault zone porosity, in addition to the occurrence of extremely low porosity shear planes. Consequently, the impact of faults in poorly lithified sediment on fluid flow is, to a large degree, dependent upon the magnitude of fault displacement.

Detailed ground surface displacement and fault ruptures of the 2016 Kumamoto Earthquake revealed by SAR and GNSS data

NASA Astrophysics Data System (ADS)

Kobayashi, T.; Yarai, H.; Morishita, Y.; Kawamoto, S.; Fujiwara, S.; Nakano, T.

2016-12-01

We report ground displacement associated with the 2016 Kumamoto Earthquake obtained by ALOS-2 SAR and GNSS data. For the SAR analyses, we applied InSAR, MAI, and pixel offset methods, which has successfully provided a 3D displacement field showing the widely- and locally-distributed deformation. The obtained displacement field shows clear displacement boundaries linearly along the Futagawa, the Hinagu, and the Denokuchi faults across which the sign of displacement component turns to be opposite, suggesting that the fault ruptures occurred there. Our fault model for the main shock suggests that the main rupture occurred on the Futagawa fault with a right-lateral motion including a slight normal fault motion. Due to the normal faulting movement, the northern side of the active fault subsides with approximately 2 m. The rupture on the Futagawa fault extends into the Aso caldera with slightly shifting the position northward. Of note, the fault plane oppositely dips toward southeast. It may be a conjugate fault against the main fault. In the western side of the Futagawa fault, the slip on the Hinagu fault, in which the Mj6.5 and Mj6.4 foreshocks occurred with a pure right-lateral motion, is also deeply involved with the main shock. This fault rupture released the amount of approximately 30 percent of the total seismic moment. The hypocenter is determined near the fault and its focal mechanism is consistent with the estimated slip motion of this fault plane, maybe suggesting that the rupture started at this fault and proceeded toward the Futagawa fault eastward. Acknowledgements: ALOS-2 data were provided from the Earthquake Working Group under a cooperative research contract with JAXA (Japan Aerospace Exploration Agency). The ownership of ALOS-2 data belongs to JAXA.

Characterizing the structural maturity of fault zones using high-resolution earthquake locations.

NASA Astrophysics Data System (ADS)

Perrin, C.; Waldhauser, F.; Scholz, C. H.

2017-12-01

We use high-resolution earthquake locations to characterize the three-dimensional structure of active faults in California and how it evolves with fault structural maturity. We investigate the distribution of aftershocks of several recent large earthquakes that occurred on immature faults (i.e., slow moving and small cumulative displacement), such as the 1992 (Mw7.3) Landers and 1999 (Mw7.1) Hector Mine events, and earthquakes that occurred on mature faults, such as the 1984 (Mw6.2) Morgan Hill and 2004 (Mw6.0) Parkfield events. Unlike previous studies which typically estimated the width of fault zones from the distribution of earthquakes perpendicular to the surface fault trace, we resolve fault zone widths with respect to the 3D fault surface estimated from principal component analysis of local seismicity. We find that the zone of brittle deformation around the fault core is narrower along mature faults compared to immature faults. We observe a rapid fall off of the number of events at a distance range of 70 - 100 m from the main fault surface of mature faults (140-200 m fault zone width), and 200-300 m from the fault surface of immature faults (400-600 m fault zone width). These observations are in good agreement with fault zone widths estimated from guided waves trapped in low velocity damage zones. The total width of the active zone of deformation surrounding the main fault plane reach 1.2 km and 2-4 km for mature and immature faults, respectively. The wider zone of deformation presumably reflects the increased heterogeneity in the stress field along complex and discontinuous faults strands that make up immature faults. In contrast, narrower deformation zones tend to align with well-defined fault planes of mature faults where most of the deformation is concentrated. Our results are in line with previous studies suggesting that surface fault traces become smoother, and thus fault zones simpler, as cumulative fault slip increases.

Glide Dislocations Dissociation in Inversion Domain Boundaries of Plastically Deformed Aluminium Nitride

NASA Astrophysics Data System (ADS)

Feregotto, Virginia; Michel, Jean-Pierre

1996-09-01

A ten per cent plastic deformation of polycrystalline aluminium nitride, at a temperature ranging from 1500 to 1650 ^{circ}C creates a new kind of intragranular defect. Observed by transmission electron microscopy, the look like torsion subboundaries created by dislocations with 1/3<~ngle11bar{2}0rangle Burgers vectors and so nodes are dissociated into Shockley partials. They are located in the basal plane. In fact, these defects appear only in the plane areas of grown-in defects, the inversion domain boundaries. The formation of these faulted networks is interpreted as being the ultimate stage of the interactions between inversion domain boundaries and glide dislocations. Une déformation plastique de 10 % de nitrure d'aluminium polycristallin, entre 1500 et 1650 ^{circ}C introduit un nouveau type de défauts intragranulaires. Au microscope électronique par transmission, ils apparaissent comme des sous-joints de torsion créés par des dislocations de vecteurs de Burgers 1/3<~ngle11bar{2}0rangle dont les nœuds triples sont dissociés en partielles de Shockley ; ils sont situés dans le plan de base. En fait, ces défauts ne se produisent que sur les parties planes de défauts originels, les parois de domaines d'inversion. La formation de ces réseaux fautés est analysée comme l'ultime stade des interactions entre parois de domaines d'inversion et dislocations de glissement.

Quasi-equilibrium melting of quartzite upon extreme friction

NASA Astrophysics Data System (ADS)

Lee, Sung Keun; Han, Raehee; Kim, Eun Jeong; Jeong, Gi Young; Khim, Hoon; Hirose, Takehiro

2017-06-01

The friction on fault planes that controls how rocks slide during earthquakes decreases significantly as a result of complex fault-lubrication processes involving frictional melting. Fault friction has been characterized in terms of the preferential melting of minerals with low melting points--so-called disequilibrium melting. Quartz, which has a high melting temperature of about 1,726 °C and is a major component of crustal rocks, is not expected to melt often during seismic slip. Here we use high-velocity friction experiments on quartzite to show that quartz can melt at temperatures of 1,350 to 1,500 °C. This implies that quartz within a fault plane undergoing rapid friction sliding could melt at substantially lower temperatures than expected. We suggest that depression of the melting temperature is caused by the preferential melting of ultra-fine particles and metastable melting of β-quartz at about 1,400 °C during extreme frictional slip. The results for quartzite are applicable to complex rocks because of the observed prevalence of dynamic grain fragmentation, the preferential melting of smaller grains and the kinetic preference of β-quartz formation during frictional sliding. We postulate that frictional melting of quartz on a fault plane at temperatures substantially below the melting temperature could facilitate slip-weakening and lead to large earthquakes.

Effects of fluid-rock interactions on faulting within active fault zones - evidence from fault rock samples retrieved from international drilling projects

NASA Astrophysics Data System (ADS)

Janssen, C.; Wirth, R.; Kienast, M.; Yabe, Y.; Sulem, J.; Dresen, G. H.

2015-12-01

Chemical and mechanical effects of fluids influence the fault mechanical behavior. We analyzed fresh fault rocks from several scientific drilling projects to study the effects of fluids on fault strength. For example, in drill core samples on a rupture plane of an Mw 2.2 earthquake in a deep gold mine in South Africa the main shock occurred on a preexisting plane of weakness that was formed by fluid-rock interaction (magnesiohornblende was intensively altered to chlinochlore). The plane acted as conduit for hydrothermal fluids at some time in the past. The chemical influence of fluids on mineralogical alteration and geomechanical processes in fault core samples from SAFOD (San Andreas Fault Observatory at Depth) is visible in pronounced dissolution-precipitation processes (stylolites, solution seams) as well as in the formation of new phases. Detrital quartz and feldspar grains are partially dissolved and replaced by authigenic illite-smectite (I-S) mixed-layer clay minerals. Transmission Electron Microscopy (TEM) imaging of these grains reveals that the alteration processes and healing were initiated within pores and small intra-grain fissures. Newly formed phyllosilicates growing into open pore spaces likely reduced the fluid permeability. The mechanical influence of fluids is indicated by TEM observations, which document open pores that formed in-situ in the gouge material during or after deformation. Pores were possibly filled with formation water and/or hydrothermal fluids suggesting elevated fluid pressure preventing pore collapse. Fluid-driven healing of fractures in samples from SAFOD and the DGLab Gulf of Corinth project is visible in cementation. Cathodoluminescence microscopy (CL) reveals different generations of calcite veins. Differences in CL-colors suggest repeated infiltration of fluids with different chemical composition from varying sources (formation and meteoric water).

Displacement-length scaling of brittle faults in ductile shear.

PubMed

Grasemann, Bernhard; Exner, Ulrike; Tschegg, Cornelius

2011-11-01

Within a low-grade ductile shear zone, we investigated exceptionally well exposed brittle faults, which accumulated antithetic slip and rotated into the shearing direction. The foliation planes of the mylonitic host rock intersect the faults approximately at their centre and exhibit ductile reverse drag. Three types of brittle faults can be distinguished: (i) Faults developing on pre-existing K-feldspar/mica veins that are oblique to the shear direction. These faults have triclinic flanking structures. (ii) Wing cracks opening as mode I fractures at the tips of the triclinic flanking structures, perpendicular to the shear direction. These cracks are reactivated as faults with antithetic shear, extend from the parent K-feldspar/mica veins and form a complex linked flanking structure system. (iii) Joints forming perpendicular to the shearing direction are deformed to form monoclinic flanking structures. Triclinic and monoclinic flanking structures record elliptical displacement-distance profiles with steep displacement gradients at the fault tips by ductile flow in the host rocks, resulting in reverse drag of the foliation planes. These structures record one of the greatest maximum displacement/length ratios reported from natural fault structures. These exceptionally high ratios can be explained by localized antithetic displacement along brittle slip surfaces, which did not propagate during their rotation during surrounding ductile flow.

Displacement–length scaling of brittle faults in ductile shear

PubMed Central

Grasemann, Bernhard; Exner, Ulrike; Tschegg, Cornelius

2011-01-01

Within a low-grade ductile shear zone, we investigated exceptionally well exposed brittle faults, which accumulated antithetic slip and rotated into the shearing direction. The foliation planes of the mylonitic host rock intersect the faults approximately at their centre and exhibit ductile reverse drag. Three types of brittle faults can be distinguished: (i) Faults developing on pre-existing K-feldspar/mica veins that are oblique to the shear direction. These faults have triclinic flanking structures. (ii) Wing cracks opening as mode I fractures at the tips of the triclinic flanking structures, perpendicular to the shear direction. These cracks are reactivated as faults with antithetic shear, extend from the parent K-feldspar/mica veins and form a complex linked flanking structure system. (iii) Joints forming perpendicular to the shearing direction are deformed to form monoclinic flanking structures. Triclinic and monoclinic flanking structures record elliptical displacement–distance profiles with steep displacement gradients at the fault tips by ductile flow in the host rocks, resulting in reverse drag of the foliation planes. These structures record one of the greatest maximum displacement/length ratios reported from natural fault structures. These exceptionally high ratios can be explained by localized antithetic displacement along brittle slip surfaces, which did not propagate during their rotation during surrounding ductile flow. PMID:26806996

3-D Dynamic Rupture Simulations of the 2016 Kumamoto, Japan, Earthquake

NASA Astrophysics Data System (ADS)

Fukuyama, E.; Urata, Y.; Yoshida, K.

2016-12-01

On April 16, 2016 at 01:25 (JST), an M7.3 main shock of the 2016 Kumamoto, Japan, earthquake sequence occurred along the Futagawa and Hinagu faults. A few days before, three M6-class foreshocks occurred: M6.5 on April 14 at 21:26, M5.8 on April 14 at 22:27, and M6.4 on April 15 at 00:03 (JST). The focal mechanisms of the first and third foreshocks were similar to those of the main shock; therefore, the extensive stress shadow should have been generated on the fault plane of the main shock. The purpose of this study is to illuminate why the rupture of the main shock propagated successfully under such stress conditions by 3-D dynamic rupture simulations, assuming the fault planes estimated by the distributions of aftershocks.First, we investigated time evolution of aftershock hypocenters relocated by the Double Difference method (Waldhauser & Ellsworth, 2000). The result showed that planar distribution of the hypocenters was formed after each M6 event. It allows us to estimate fault planes of the three foreshocks and the main shock.Then, we evaluated stress changes on the fault planes of the main shock due to the three foreshocks. We obtained the slip distributions of the foreshocks by using Eshelby (1957)'s solution, assuming elliptical cracks with constant stress drops on the estimated fault planes. The stress changes on the fault planes of the main shock were calculated by using Okada (1992)'s solution. The obtained stress change distribution showed that the hypocenter of the main shock existed on the region with positive ΔCFF while ΔCFF in the shallower regions than the hypocenter was negative. Therefore, the foreshocks could encourage the initiation of the main shock rupture and could hinder the rupture propagating toward the shallow region.Finally, we conducted 3-D dynamic rupture simulations (Hok and Fukuyama, 2011) of the main shock under the initial stresses, which were the sum of the stress changes by these foreshocks and the regional stress field estimated by Yoshida et al. (2016, submitted). We used slip-weakening law with uniform friction parameters. We conducted many simulations varying unknown parameters (the friction parameters and the values of the principal stresses), and we will discuss the conditions for the rupture propagation of the main shock and the effects of the foreshocks on the main shock.

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.

Neotectonics of the Dinarides-Pannonian Basin transition and possible earthquake sources in the Banja Luka epicentral area

NASA Astrophysics Data System (ADS)

Ustaszewski, Kamil; Herak, Marijan; Tomljenović, Bruno; Herak, Davorka; Matej, Srebrenka

2014-12-01

This study provides evidence for post-5 Ma shortening in the transition area between the Dinarides fold-and-thrust belt and the Pannonian Basin and reviews possible earthquake sources for the Banja Luka epicentral area (northern Bosnia and Herzegovina) where the strongest instrumentally recorded earthquake (ML 6.4) occurred on 27 October 1969. Geological, geomorphological and reflection seismic data provide evidence for a contractional reactivation of Late Palaeogene to Middle Miocene normal faults at slip rates below 0.1 mm/a. This reactivation postdates deposition of the youngest sediments in the Pannonian Basin of Pontian age (c. 5 Ma). Fault plane solutions for the main 1969 Banja Luka earthquake (ML 6.4) and its largest foreshock (ML 6.0) indicate reverse faulting along ESE-WNW-striking nodal planes and generally N-S trending pressure axes. The spatial distribution of epicentres and focal depths, analyses of the macroseismic field and fault-plane solutions for several smaller events suggest on-going shortening in the internal Dinarides. Seismic deformation of the upper crust is also associated with strike-slip faults, likely related to the NE-SW trending, sinistral Banja Luka fault. Possibly, this fault transfers contraction between adjacent segments of the Dinarides thrust system. The study area represents the seismically most active region of the Dinarides apart from the Adriatic Sea coast and the bend zone around Zagreb. We propose that on-going thrusting in the internal Dinarides thrust system takes up a portion of the current Adria-Europe convergence.

Evolution of carboxymethyl cellulose layer morphology on hydrophobic mineral surfaces: variation of polymer concentration and ionic strength.

PubMed

Beaussart, Audrey; Mierczynska-Vasilev, Agnieszka; Beattie, David A

2010-06-15

The adsorption of carboxymethyl cellulose (CMC) on the basal planes of talc and molybdenite has been studied using in situ atomic force microscope (AFM) imaging. These experiments were partnered with quantitative adsorption isotherm determinations on particulate samples. The isotherms revealed a clear increase of the CMC adsorbed amount upon increasing the solution ionic strength for adsorption on both minerals. In addition, the shapes of the isotherms changed in response to the change in the electrolyte concentration, with CMC on talc displaying stepped (10(-3) M KCl), Langmuir (10(-2) M KCl), then Freundlich isotherm shapes (10(-1) M KCl), and CMC on molybdenite displaying stepped (10(-3) M KCl), Freundlich (10(-2) M KCl), then Langmuir isotherm shapes (10(-1) M KCl). AFM imaging of the polymer layer on the mineral surfaces with varying solution conditions mirrored and confirmed the conclusions from the isotherms: as the polymer solution concentration increased, coverage on the basal plane increased; as the ionic strength increased, coverage on the basal plane increased and the morphology of the layer changed from isolated well-distributed polymer domains to extensive adsorption and formation of dense, uneven polymer domains/features. In addition, comparison of the talc and molybdenite datasets points toward the presence of different binding mechanisms for CMC adsorption on the talc and molybdenite basal plane surfaces. 2010 Elsevier Inc. All rights reserved.

Observations of static Coulomb stress triggering of the November 2011 M5.7 Oklahoma earthquake sequence

USGS Publications Warehouse

Sumy, Danielle F.; Cochran, Elizabeth S.; Keranen, Katie M.; Wei, Maya; Abers, Geoffrey A.

2014-01-01

In November 2011, a M5.0 earthquake occurred less than a day before a M5.7 earthquake near Prague, Oklahoma, which may have promoted failure of the mainshock and thousands of aftershocks along the Wilzetta fault, including a M5.0 aftershock. The M5.0 foreshock occurred in close proximity to active fluid injection wells; fluid injection can cause a buildup of pore fluid pressure, decrease the fault strength, and may induce earthquakes. Keranen et al. [2013] links the M5.0 foreshock with fluid injection, but the relationship between the foreshock and successive events has not been investigated. Here we examine the role of coseismic Coulomb stress transfer on earthquakes that follow the M5.0 foreshock, including the M5.7 mainshock. We resolve the static Coulomb stress change onto the focal mechanism nodal plane that is most consistent with the rupture geometry of the three M ≥ 5.0 earthquakes, as well as specified receiver fault planes that reflect the regional stress orientation. We find that Coulomb stress is increased, e.g., fault failure is promoted, on the nodal planes of ~60% of the events that have focal mechanism solutions, and more specifically, that the M5.0 foreshock promoted failure on the rupture plane of the M5.7 mainshock. We test our results over a range of effective coefficient of friction values. Hence, we argue that the M5.0 foreshock, induced by fluid injection, potentially triggered a cascading failure of earthquakes along the complex Wilzetta fault system.

Three-dimensional models of deformation near strike-slip faults

USGS Publications Warehouse

ten Brink, Uri S.; Katzman, Rafael; Lin, J.

1996-01-01

We use three-dimensional elastic models to help guide the kinematic interpretation of crustal deformation associated with strike-slip faults. Deformation of the brittle upper crust in the vicinity of strike-slip fault systems is modeled with the assumption that upper crustal deformation is driven by the relative plate motion in the upper mantle. The driving motion is represented by displacement that is specified on the bottom of a 15-km-thick elastic upper crust everywhere except in a zone of finite width in the vicinity of the faults, which we term the "shear zone." Stress-free basal boundary conditions are specified within the shear zone. The basal driving displacement is either pure strike slip or strike slip with a small oblique component, and the geometry of the fault system includes a single fault, several parallel faults, and overlapping en echelon faults. We examine the variations in deformation due to changes in the width of the shear zone and due to changes in the shear strength of the faults. In models with weak faults the width of the shear zone has a considerable effect on the surficial extent and amplitude of the vertical and horizontal deformation and on the amount of rotation around horizontal and vertical axes. Strong fault models have more localized deformation at the tip of the faults, and the deformation is partly distributed outside the fault zone. The dimensions of large basins along strike-slip faults, such as the Rukwa and Dead Sea basins, and the absence of uplift around pull-apart basins fit models with weak faults better than models with strong faults. Our models also suggest that the length-to-width ratio of pull-apart basins depends on the width of the shear zone and the shear strength of the faults and is not constant as previously suggested. We show that pure strike-slip motion can produce tectonic features, such as elongate half grabens along a single fault, rotated blocks at the ends of parallel faults, or extension perpendicular to overlapping en echelon faults, which can be misinterpreted to indicate a regional component of extension. Zones of subsidence or uplift can become wider than expected for transform plate boundaries when a minor component of oblique motion is added to a system of parallel strike-slip faults.

Three-dimensional models of deformation near strike-slip faults

USGS Publications Warehouse

ten Brink, Uri S.; Katzman, Rafael; Lin, Jian

1996-01-01

We use three-dimensional elastic models to help guide the kinematic interpretation of crustal deformation associated with strike-slip faults. Deformation of the brittle upper crust in the vicinity of strike-slip fault systems is modeled with the assumption that upper crustal deformation is driven by the relative plate motion in the upper mantle. The driving motion is represented by displacement that is specified on the bottom of a 15-km-thick elastic upper crust everywhere except in a zone of finite width in the vicinity of the faults, which we term the “shear zone.” Stress-free basal boundary conditions are specified within the shear zone. The basal driving displacement is either pure strike slip or strike slip with a small oblique component, and the geometry of the fault system includes a single fault, several parallel faults, and overlapping en echelon faults. We examine the variations in deformation due to changes in the width of the shear zone and due to changes in the shear strength of the faults. In models with weak faults the width of the shear zone has a considerable effect on the surficial extent and amplitude of the vertical and horizontal deformation and on the amount of rotation around horizontal and vertical axes. Strong fault models have more localized deformation at the tip of the faults, and the deformation is partly distributed outside the fault zone. The dimensions of large basins along strike-slip faults, such as the Rukwa and Dead Sea basins, and the absence of uplift around pull-apart basins fit models with weak faults better than models with strong faults. Our models also suggest that the length-to-width ratio of pull-apart basins depends on the width of the shear zone and the shear strength of the faults and is not constant as previously suggested. We show that pure strike-slip motion can produce tectonic features, such as elongate half grabens along a single fault, rotated blocks at the ends of parallel faults, or extension perpendicular to overlapping en echelon faults, which can be misinterpreted to indicate a regional component of extension. Zones of subsidence or uplift can become wider than expected for transform plate boundaries when a minor component of oblique motion is added to a system of parallel strike-slip faults.

Deformation Front Development at the Northeast Margin of the Tainan Basin, Tainan-Kaohsiung Area, Taiwan

NASA Astrophysics Data System (ADS)

Huang, Shiuh-Tsann; Yang, Kenn-Ming; Hung, Jih-Hao; Wu, Jong-Chang; Ting, Hsin-Hsiu; Mei, Wen-Wei; Hsu, Shiang-Horng; Lee, Min

2004-03-01

The geological setting south of the Tsengwen River and the Tsochen Fault is the transitional zone between the Tainan foreland basin and Manila accretionary wedge in Southwestern Taiwan. This transitional zone is characterized by the triangle zone geological model associated with back thrusts that is quite unique compared to the other parts of the Western foreland that are dominated by thrust imbrications. The Hsinhua structure, the Tainan anticline, and the offshore H2 anticline are the first group of major culminations in the westernmost part of the Fold-and-Thrust belt that formed during the Penglay Orogeny. Structures in the the Tainan and Kaohsiung areas provide important features of the initial mountain building stage in Western Taiwan. A deeply buried basal detachment with ramp-flat geometry existed in the constructed geological sections. A typical triangle is found by back thrusting, such as where the Hsinhua Fault cuts upsection of the Upper Pliocene and Pleistocene from a lower detachment along the lower Gutingkeng Formation. The Tainan structure is a southward extension of the Hinhua Fault and has an asymmetric geometry of gentle western and steep eastern limbs. Our studies suggest that the Tainan anticline is similar to the structure formed by the Hsinhua Fault. Both are characterized by back thrusts and rooted into a detachment about 5 km deep. The triangle zone structure stops at H2 anticline offshore Tainan and beyond the west of it, All the structures are replaced by rift tectonic settings developed in the passive continental margin. On the basal detachment, a major ramp interpreted as a tectonic discontinuity was found in this study. Above the northeastern end of the major ramp of basal detachment, the Lungchuan Fault is associated with a triangle system development, while at the southwestern end a thrust wedge is present. It could be deduced that a thrust wedge intrudes northwestward. The area below the major ramp, or equivalent to the trailing edge of the basal detachment, mud diapers often occur in relation to the thickest deposits of the Gutingkeng Formation and caused by the mechanism of detachment folding

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.

Observations of fault zone heterogeneity effects on stress alteration and slip nucleation during a fault reactivation experiment in the Mont Terri rock laboratory, Switzerland

NASA Astrophysics Data System (ADS)

Nussbaum, C.; Guglielmi, Y.

2016-12-01

The FS experiment at the Mont Terri underground research laboratory consists of a series of controlled field stimulation tests conducted in a fault zone intersecting a shale formation. The Main Fault is a secondary order reverse fault that formed during the creation of the Jura fold-and-thrust belt, associated to a large décollement. The fault zone is up to 6 m wide, with micron-thick shear zones, calcite veins, scaly clay and clay gouge. We conducted fluid injection tests in 4 packed-off borehole intervals across the Main Fault using mHPP probes that allow to monitor 3D displacement between two points anchored to the borehole walls at the same time as fluid pressure and flow rate. While pressurizing the intervals above injection pressures of 3.9 to 5.3 MPa, there is an irreversible change in the displacements magnitude and orientation associated to the hydraulic opening of natural shear planes oriented N59 to N69 and dipping 39 to 58°. Displacements of 0.01 mm to larger than 0.1 mm were captured, the highest value being observed at the interface between the low permeable fault core and the damage zone. Contrasted fault movements were observed, mainly dilatant in the fault core, highly dilatant-normal slip at the fault core-damage zone interface and low dilatant-strike-slip-reverse in the damage-to-intact zones. First using a slip-tendency approach based on Coulomb reactivation potential of fault planes, we computed a stress tensor orientation for each test. The input parameters are the measured displacement vectors above the hydraulic opening pressure and the detailed fault geometry of each intervals. All measurements from the damage zone can be explained by a stress tensor in strike-slip regime. Fault movements measured at the core-damage zone interface and within the fault core are in agreement with the same stress orientations but changed as normal faulting, explaining the significant dilatant movements. We then conducted dynamic hydromechanical simulations of the Coulomb stress variations on discrete fault planes, considering the injection pressure variations with time in the packed-off sections as the source parameters. Results suggest that the fault architecture and heterogeneity play an important role on the local stress variation at the core-damage zone interface, favouring slip activation below sigma 3.