Quantum parameter estimation in the Unruh–DeWitt detector model

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

Hao, Xiang, E-mail: xhao@phas.ubc.ca; Pacific Institute of Theoretical Physics, Department of Physics and Astronomy, University of British Columbia, 6224 Agriculture Rd., Vancouver B.C., Canada V6T 1Z1; Wu, Yinzhong

2016-09-15

Relativistic effects on the precision of quantum metrology for particle detectors, such as two-level atoms are studied. The quantum Fisher information is used to estimate the phase sensitivity of atoms in non-inertial motions or in gravitational fields. The Unruh–DeWitt model is applicable to the investigation of the dynamics of a uniformly accelerated atom weakly coupled to a massless scalar vacuum field. When a measuring device is in the same relativistic motion as the atom, the dynamical behavior of quantum Fisher information as a function of Rindler proper time is obtained. It is found out that monotonic decrease in phase sensitivitymore » is characteristic of dynamics of relativistic quantum estimation. The origin of the decay of quantum Fisher information is the thermal bath that the accelerated detector finds itself in due to the Unruh effect. To improve relativistic quantum metrology, we reasonably take into account two reflecting plane boundaries perpendicular to each other. The presence of the reflecting boundary can shield the detector from the thermal bath in some sense.« less

Influence of capillary end effects on steady-state relative permeability estimates from direct pore-scale simulations

NASA Astrophysics Data System (ADS)

Guédon, Gaël Raymond; Hyman, Jeffrey De'Haven; Inzoli, Fabio; Riva, Monica; Guadagnini, Alberto

2017-12-01

We investigate and characterize the influence of capillary end effects on steady-state relative permeabilities obtained in pore-scale numerical simulations of two-phase flows. Our study is motivated by the observation that capillary end effects documented in two-phase laboratory-scale experiments can significantly influence permeability estimates. While numerical simulations of two-phase flows in reconstructed pore-spaces are increasingly employed to characterize relative permeabilities, a phenomenon which is akin to capillary end effects can also arise in such analyses due to the constraints applied at the boundaries of the computational domain. We profile the relative strength of these capillary end effects on the calculation of steady-state relative permeabilities obtained within randomly generated porous micro-structures using a finite volume-based two-phase flow solver. We suggest a procedure to estimate the extent of the regions influenced by these capillary end effects, which in turn allows for the alleviation of bias in the estimation of relative permeabilities.

Analysis and Modeling of Boundary Layer Separation Method (BLSM).

PubMed

Pethő, Dóra; Horváth, Géza; Liszi, János; Tóth, Imre; Paor, Dávid

2010-09-01

Nowadays rules of environmental protection strictly regulate pollution material emission into environment. To keep the environmental protection laws recycling is one of the useful methods of waste material treatment. We have developed a new method for the treatment of industrial waste water and named it boundary layer separation method (BLSM). We apply the phenomena that ions can be enriched in the boundary layer of the electrically charged electrode surface compared to the bulk liquid phase. The main point of the method is that the boundary layer at correctly chosen movement velocity can be taken out of the waste water without being damaged, and the ion-enriched boundary layer can be recycled. Electrosorption is a surface phenomenon. It can be used with high efficiency in case of large electrochemically active surface of electrodes. During our research work two high surface area nickel electrodes have been prepared. The value of electrochemically active surface area of electrodes has been estimated. The existence of diffusion part of the double layer has been experimentally approved. The electrical double layer capacity has been determined. Ion transport by boundary layer separation has been introduced. Finally we have tried to estimate the relative significance of physical adsorption and electrosorption.

Austenite grain growth simulation considering the solute-drag effect and pinning effect

PubMed Central

Fujiyama, Naoto; Nishibata, Toshinobu; Seki, Akira; Hirata, Hiroyuki; Kojima, Kazuhiro; Ogawa, Kazuhiro

2017-01-01

Abstract The pinning effect is useful for restraining austenite grain growth in low alloy steel and improving heat affected zone toughness in welded joints. We propose a new calculation model for predicting austenite grain growth behavior. The model is mainly comprised of two theories: the solute-drag effect and the pinning effect of TiN precipitates. The calculation of the solute-drag effect is based on the hypothesis that the width of each austenite grain boundary is constant and that the element content maintains equilibrium segregation at the austenite grain boundaries. We used Hillert’s law under the assumption that the austenite grain boundary phase is a liquid so that we could estimate the equilibrium solute concentration at the austenite grain boundaries. The equilibrium solute concentration was calculated using the Thermo-Calc software. Pinning effect was estimated by Nishizawa’s equation. The calculated austenite grain growth at 1473–1673 K showed excellent correspondence with the experimental results. PMID:28179962

Quantum-classical boundary for precision optical phase estimation

NASA Astrophysics Data System (ADS)

Birchall, Patrick M.; O'Brien, Jeremy L.; Matthews, Jonathan C. F.; Cable, Hugo

2017-12-01

Understanding the fundamental limits on the precision to which an optical phase can be estimated is of key interest for many investigative techniques utilized across science and technology. We study the estimation of a fixed optical phase shift due to a sample which has an associated optical loss, and compare phase estimation strategies using classical and nonclassical probe states. These comparisons are based on the attainable (quantum) Fisher information calculated per number of photons absorbed or scattered by the sample throughout the sensing process. We find that for a given number of incident photons upon the unknown phase, nonclassical techniques in principle provide less than a 20 % reduction in root-mean-square error (RMSE) in comparison with ideal classical techniques in multipass optical setups. Using classical techniques in a different optical setup that we analyze, which incorporates additional stages of interference during the sensing process, the achievable reduction in RMSE afforded by nonclassical techniques falls to only ≃4 % . We explain how these conclusions change when nonclassical techniques are compared to classical probe states in nonideal multipass optical setups, with additional photon losses due to the measurement apparatus.

Influence of a density increase on the evolution of the Kelvin-Helmholtz instability and vortices

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

Amerstorfer, U. V.; Erkaev, N. V.; Institute of Computational Modelling, 660036 Krasnoyarsk

2010-07-15

Results of two-dimensional nonlinear numerical simulations of the magnetohydrodynamic Kelvin-Helmholtz instability are presented. A boundary layer of a certain width is assumed, which separates the plasma in the upper layer from the plasma in the lower layer. A special focus is given on the influence of a density increase toward the lower layer. The evolution of the Kelvin-Helmholtz instability can be divided into three different phases, namely, a linear growth phase at the beginning, followed by a nonlinear phase with regular structures of the vortices, and finally, a turbulent phase with nonregular structures. The spatial scales of the vortices aremore » about five times the initial width of the boundary layer. The considered configuration is similar to the situation around unmagnetized planets, where the solar wind (upper plasma layer) streams past the ionosphere (lower plasma layer), and thus the plasma density increases toward the planet. The evolving vortices might detach around the terminator of the planet and eventually so-called plasma clouds might be formed, through which ionospheric material can be lost. For the special case of a Venus-like planet, loss rates are estimated, which are of the order of estimated loss rates from observations at Venus.« less

Influence of incoherent twin boundaries on the electrical properties of β-Ga2O3 layers homoepitaxially grown by metal-organic vapor phase epitaxy

NASA Astrophysics Data System (ADS)

Fiedler, A.; Schewski, R.; Baldini, M.; Galazka, Z.; Wagner, G.; Albrecht, M.; Irmscher, K.

2017-10-01

We present a quantitative model that addresses the influence of incoherent twin boundaries on the electrical properties in β-Ga2O3. This model can explain the mobility collapse below a threshold electron concentration of 1 × 1018 cm-3 as well as partly the low doping efficiency in β-Ga2O3 layers grown homoepitaxially by metal-organic vapor phase epitaxy on (100) substrates of only slight off-orientation. A structural analysis by transmission electron microscopy (TEM) reveals a high density of twin lamellae in these layers. In contrast to the coherent twin boundaries parallel to the (100) plane, the lateral incoherent twin boundaries exhibit one dangling bond per unit cell that acts as an acceptor-like electron trap. Since the twin lamellae are thin, we consider the incoherent twin boundaries to be line defects with a density of 1011-1012 cm-2 as determined by TEM. We estimate the influence of the incoherent twin boundaries on the electrical transport properties by adapting Read's model of charged dislocations. Our calculations quantitatively confirm that the mobility reduction and collapse as well as partly the compensation are due to the presence of twin lamellae.

Calculation of contact angles at triple phase boundary in solid oxide fuel cell anode using the level set method

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

Sun, Xiaojun; Hasegawa, Yosuke; CREST, JST

2014-10-15

A level set method is applied to characterize the three dimensional structures of nickel, yttria stabilized zirconia and pore phases in solid oxide fuel cell anode reconstructed by focused ion beam-scanning electron microscope. A numerical algorithm is developed to evaluate the contact angles at the triple phase boundary based on interfacial normal vectors which can be calculated from the signed distance functions defined for each of the three phases. Furthermore, surface tension force is estimated from the contact angles by assuming the interfacial force balance at the triple phase boundary. The average contact angle values of nickel, yttria stabilized zirconiamore » and pore are found to be 143°–156°, 83°–138° and 82°–123°, respectively. The mean contact angles remained nearly unchanged after 100 hour operation. However, the contact angles just after reduction are different for the cells with different sintering temperatures. In addition, standard deviations of the contact angles are very large especially for yttria stabilized zirconia and pore phases. The calculated surface tension forces from mean contact angles were close to the experimental values found in the literature. Slight increase of surface tensions of nickel/pore and nickel/yttria stabilized zirconia were observed after operation. Present data are expected to be used not only for the understanding of the degradation mechanism, but also for the quantitative prediction of the microstructural temporal evolution of solid oxide fuel cell anode. - Highlights: • A level set method is applied to characterize the 3D structures of SOFC anode. • A numerical algorithm is developed to evaluate the contact angles at the TPB. • Surface tension force is estimated from the contact angles. • The average contact angle values are found to be 143o-156o, 83o-138o and 82o-123o. • Present data are expected to understand degradation and predict evolution of SOFC.« less

Beam ion susceptibility to loss in NSTX-U plasmas

NASA Astrophysics Data System (ADS)

Darrow, Douglass; Fredrickson, Eric; Podesta, Mario; Liu, Deyong; White, Roscoe

2016-10-01

NSTX-U has operated with three additional neutral beam sources whose tangency radii of 1.1, 1.2, and 1.3 m are significantly larger than the 0.5, 0.6, and 0.7 m tangency radii of the neutral beams previously used in NSTX. These latter beams have also be retained for NSTX-U. Here, we present an estimate of the susceptibility of the beam ions from all the various sources to loss under a range of NSTX-U plasma conditions. This estimation is based upon TRANSP calculations of beam ion deposition in phase space, and the location of the FLR-corrected loss boundary in that phase space. Since losses are often observed at the injection energy, a simple measure of loss susceptibility is the change in canonical toroidal momentum required to move beam ions from their deposition point to the loss boundary, as a function of magnetic moment. To augment this simple estimate, we intend to report some associated transport coefficients of beam ions due to AE activity. Work supported by U.S. DOE DE-AC0209CH11466, DE-FG02-06ER54867, and DE-FG03-02ER54681.

Selected inversion as key to a stable Langevin evolution across the QCD phase boundary

NASA Astrophysics Data System (ADS)

Bloch, Jacques; Schenk, Olaf

2018-03-01

We present new results of full QCD at nonzero chemical potential. In PRD 92, 094516 (2015) the complex Langevin method was shown to break down when the inverse coupling decreases and enters the transition region from the deconfined to the confined phase. We found that the stochastic technique used to estimate the drift term can be very unstable for indefinite matrices. This may be avoided by using the full inverse of the Dirac operator, which is, however, too costly for four-dimensional lattices. The major breakthrough in this work was achieved by realizing that the inverse elements necessary for the drift term can be computed efficiently using the selected inversion technique provided by the parallel sparse direct solver package PARDISO. In our new study we show that no breakdown of the complex Langevin method is encountered and that simulations can be performed across the phase boundary.

Fisher information approach to nonequilibrium phase transitions in a quantum XXZ spin chain with boundary noise

NASA Astrophysics Data System (ADS)

Marzolino, Ugo; Prosen, Tomaž

2017-09-01

We investigated quantum critical behaviors in the nonequilibrium steady state of a XXZ spin chain with boundary Markovian noise using Fisher information. The latter represents the distance between two infinitesimally close states, and its superextensive size scaling witnesses a critical behavior due to a phase transition since all the interaction terms are extensive. Perturbatively, in the noise strength, we found superextensive Fisher information at anisotropy |Δ |⩽1 and irrational arccosΔ/π irrespective of the order of two noncommuting limits, i.e., the thermodynamic limit and the limit of sending arccosΔ/π to an irrational number via a sequence of rational approximants. From this result we argue the existence of a nonequilibrium quantum phase transition with a critical phase |Δ |⩽1 . From the nonsuperextensivity of the Fisher information of reduced states, we infer that this nonequilibrium quantum phase transition does not have local order parameters but has nonlocal ones, at least at |Δ |=1 . In the nonperturbative regime for the noise strength, we numerically computed the reduced Fisher information which lower bounds the full-state Fisher information and is superextensive only at |Δ |=1 . From the latter result, we derived local order parameters at |Δ |=1 in the nonperturbative case. The existence of critical behavior witnessed by the Fisher information in the phase |Δ |<1 is still an open problem. The Fisher information also represents the best sensitivity for any estimation of the control parameter, in our case the anisotropy Δ , and its superextensivity implies enhanced estimation precision which is also highly robust in the presence of a critical phase.

Asymmetric simple exclusion process with position-dependent hopping rates: Phase diagram from boundary-layer analysis.

PubMed

Mukherji, Sutapa

2018-03-01

In this paper, we study a one-dimensional totally asymmetric simple exclusion process with position-dependent hopping rates. Under open boundary conditions, this system exhibits boundary-induced phase transitions in the steady state. Similarly to totally asymmetric simple exclusion processes with uniform hopping, the phase diagram consists of low-density, high-density, and maximal-current phases. In various phases, the shape of the average particle density profile across the lattice including its boundary-layer parts changes significantly. Using the tools of boundary-layer analysis, we obtain explicit solutions for the density profile in different phases. A detailed analysis of these solutions under different boundary conditions helps us obtain the equations for various phase boundaries. Next, we show how the shape of the entire density profile including the location of the boundary layers can be predicted from the fixed points of the differential equation describing the boundary layers. We discuss this in detail through several examples of density profiles in various phases. The maximal-current phase appears to be an especially interesting phase where the boundary layer flows to a bifurcation point on the fixed-point diagram.

Asymmetric simple exclusion process with position-dependent hopping rates: Phase diagram from boundary-layer analysis

NASA Astrophysics Data System (ADS)

Mukherji, Sutapa

2018-03-01

In this paper, we study a one-dimensional totally asymmetric simple exclusion process with position-dependent hopping rates. Under open boundary conditions, this system exhibits boundary-induced phase transitions in the steady state. Similarly to totally asymmetric simple exclusion processes with uniform hopping, the phase diagram consists of low-density, high-density, and maximal-current phases. In various phases, the shape of the average particle density profile across the lattice including its boundary-layer parts changes significantly. Using the tools of boundary-layer analysis, we obtain explicit solutions for the density profile in different phases. A detailed analysis of these solutions under different boundary conditions helps us obtain the equations for various phase boundaries. Next, we show how the shape of the entire density profile including the location of the boundary layers can be predicted from the fixed points of the differential equation describing the boundary layers. We discuss this in detail through several examples of density profiles in various phases. The maximal-current phase appears to be an especially interesting phase where the boundary layer flows to a bifurcation point on the fixed-point diagram.

Boundary-field-driven control of discontinuous phase transitions on hyperbolic lattices

NASA Astrophysics Data System (ADS)

Lee, Yoju; Verstraete, Frank; Gendiar, Andrej

2016-08-01

The multistate Potts models on two-dimensional hyperbolic lattices are studied with respect to various boundary effects. The free energy is numerically calculated using the corner transfer matrix renormalization group method. We analyze phase transitions of the Potts models in the thermodynamic limit with respect to contracted boundary layers. A false phase transition is present even if a couple of the boundary layers are contracted. Its significance weakens, as the number of the contracted boundary layers increases, until the correct phase transition (deep inside the bulk) prevails over the false one. For this purpose, we derive a thermodynamic quantity, the so-called bulk excess free energy, which depends on the contracted boundary layers and memorizes additional boundary effects. In particular, the magnetic field is imposed on the outermost boundary layer. While the boundary magnetic field does not affect the second-order phase transition in the bulk if suppressing all the boundary effects on the hyperbolic lattices, the first-order (discontinuous) phase transition is significantly sensitive to the boundary magnetic field. Contrary to the phase transition on the Euclidean lattices, the discontinuous phase transition on the hyperbolic lattices can be continuously controlled (within a certain temperature coexistence region) by varying the boundary magnetic field.

In-Band Asymmetry Compensation for Accurate Time/Phase Transport over Optical Transport Network

PubMed Central

Siu, Sammy; Hu, Hsiu-fang; Lin, Shinn-Yan; Liao, Chia-Shu; Lai, Yi-Liang

2014-01-01

The demands of precise time/phase synchronization have been increasing recently due to the next generation of telecommunication synchronization. This paper studies the issues that are relevant to distributing accurate time/phase over optical transport network (OTN). Each node and link can introduce asymmetry, which affects the adequate time/phase accuracy over the networks. In order to achieve better accuracy, protocol level full timing support is used (e.g., Telecom-Boundary clock). Due to chromatic dispersion, the use of different wavelengths consequently causes fiber link delay asymmetry. The analytical result indicates that it introduces significant time error (i.e., phase offset) within 0.3397 ns/km in C-band or 0.3943 ns/km in L-band depending on the wavelength spacing. With the proposed scheme in this paper, the fiber link delay asymmetry can be compensated relying on the estimated mean fiber link delay by the Telecom-Boundary clock, while the OTN control plane is responsible for processing the fiber link delay asymmetry to determine the asymmetry compensation in the timing chain. PMID:24982948

Analysis of gene expression levels in individual bacterial cells without image segmentation.

PubMed

Kwak, In Hae; Son, Minjun; Hagen, Stephen J

2012-05-11

Studies of stochasticity in gene expression typically make use of fluorescent protein reporters, which permit the measurement of expression levels within individual cells by fluorescence microscopy. Analysis of such microscopy images is almost invariably based on a segmentation algorithm, where the image of a cell or cluster is analyzed mathematically to delineate individual cell boundaries. However segmentation can be ineffective for studying bacterial cells or clusters, especially at lower magnification, where outlines of individual cells are poorly resolved. Here we demonstrate an alternative method for analyzing such images without segmentation. The method employs a comparison between the pixel brightness in phase contrast vs fluorescence microscopy images. By fitting the correlation between phase contrast and fluorescence intensity to a physical model, we obtain well-defined estimates for the different levels of gene expression that are present in the cell or cluster. The method reveals the boundaries of the individual cells, even if the source images lack the resolution to show these boundaries clearly. Copyright © 2012 Elsevier Inc. All rights reserved.

Background field removal technique based on non-regularized variable kernels sophisticated harmonic artifact reduction for phase data for quantitative susceptibility mapping.

PubMed

Kan, Hirohito; Arai, Nobuyuki; Takizawa, Masahiro; Omori, Kazuyoshi; Kasai, Harumasa; Kunitomo, Hiroshi; Hirose, Yasujiro; Shibamoto, Yuta

2018-06-11

We developed a non-regularized, variable kernel, sophisticated harmonic artifact reduction for phase data (NR-VSHARP) method to accurately estimate local tissue fields without regularization for quantitative susceptibility mapping (QSM). We then used a digital brain phantom to evaluate the accuracy of the NR-VSHARP method, and compared it with the VSHARP and iterative spherical mean value (iSMV) methods through in vivo human brain experiments. Our proposed NR-VSHARP method, which uses variable spherical mean value (SMV) kernels, minimizes L2 norms only within the volume of interest to reduce phase errors and save cortical information without regularization. In a numerical phantom study, relative local field and susceptibility map errors were determined using NR-VSHARP, VSHARP, and iSMV. Additionally, various background field elimination methods were used to image the human brain. In a numerical phantom study, the use of NR-VSHARP considerably reduced the relative local field and susceptibility map errors throughout a digital whole brain phantom, compared with VSHARP and iSMV. In the in vivo experiment, the NR-VSHARP-estimated local field could sufficiently achieve minimal boundary losses and phase error suppression throughout the brain. Moreover, the susceptibility map generated using NR-VSHARP minimized the occurrence of streaking artifacts caused by insufficient background field removal. Our proposed NR-VSHARP method yields minimal boundary losses and highly precise phase data. Our results suggest that this technique may facilitate high-quality QSM. Copyright © 2017. Published by Elsevier Inc.

Recognizing the Albian-Cenomanian (OAE1d) sequence boundary using plant carbon isotopes: Dakota Formation, Western Interior Basin, USA

USGS Publications Warehouse

Grocke, D.R.; Ludvigson, Greg A.; Witzke, B.L.; Robinson, S.A.; Joeckel, R.M.; Ufnar, David F.; Ravn, R.L.

2006-01-01

Analysis of bulk sedimentary organic matter and charcoal from an Albian-Cenomanian fluvial-estuarine succession (Dakota Formation) at Rose Creek Pit (RCP), Nebraska, reveals a negative excursion of ???3???, in late Albian strata. Overlying Cenomanian strata have ??13C values of -24???, to -23???, that are similar to pre-excursion values. The absence of an intervening positive excursion (as exists in marine records of the Albian-Cenomanian boundary) likely results from a depositional hiatus. The corresponding positive ??13C event and proposed depositional hiatus are concordant with a regionally identified sequence boundary in the Dakota Formation (D2), as well as a major regressive phase throughout the globe at the Albian-Cenomanian boundary. Data from RCP confirm suggestions that some positive carbon-isotope excursions in the geologic record are coincident with regressive sea-level phases. We estimate using isotopic correlation that the D2 sequence boundary at RCP was on the order of 0.5 m.y. in duration. Therefore, interpretations of isotopic events and associated environmental phenomena, such as oceanic anoxic events, in the shallow-marine and terrestrial record may be influenced by stratigraphic incompleteness. Further investigation of terrestrial ??13C records may be useful in recognizing and constraining sea-level changes in the geologic record. ?? 2006 Geological Society of America.

Characterization of the planetary boundary layer height and structure by Raman lidar: comparison of different approaches

NASA Astrophysics Data System (ADS)

Summa, D.; Di Girolamo, P.; Stelitano, D.; Cacciani, M.

2013-12-01

The planetary boundary layer (PBL) includes the portion of the atmosphere which is directly influenced by the presence of the earth's surface. Aerosol particles trapped within the PBL can be used as tracers to study the boundary-layer vertical structure and time variability. As a result of this, elastic backscatter signals collected by lidar systems can be used to determine the height and the internal structure of the PBL. The present analysis considers three different methods to estimate the PBL height. The first method is based on the determination of the first-order derivative of the logarithm of the range-corrected elastic lidar signals. Estimates of the PBL height for specific case studies obtained through this approach are compared with simultaneous estimates from the potential temperature profiles measured by radiosondes launched simultaneously to lidar operation. Additional estimates of the boundary layer height are based on the determination of the first-order derivative of the range-corrected rotational Raman lidar signals. This latter approach results to be successfully applicable also in the afternoon-evening decaying phase of the PBL, when the effectiveness of the approach based on the elastic lidar signals may be compromised or altered by the presence of the residual layer. Results from these different approaches are compared and discussed in the paper, with a specific focus on selected case studies collected by the University of Basilicata Raman lidar system BASIL during the Convective and Orographically-induced Precipitation Study (COPS).

Characterization of the planetary boundary layer height and structure by Raman lidar: comparison of different approaches

NASA Astrophysics Data System (ADS)

Summa, D.; Di Girolamo, P.; Stelitano, D.; Cacciani, M.

2013-06-01

The Planetary Boundary Layer (PBL) includes the portion of the atmosphere which is directly influenced by the presence of the Earth's surface. Aerosol particles trapped within the PBL can be used as tracers to study the boundary-layer vertical structure and time variability. As a result of this, elastic backscatter signals collected by lidar systems can be used to determine the height and the internal structure of the PBL. The present analysis considers three different methods to estimate the PBL height. A first method is based on the determination of the first order derivative of the logarithm of the range-corrected elastic lidar signals. Estimates of the PBL height for specific case studies obtained from this approach are compared with simultaneous estimates from the potential temperature profiles measured by radiosondes launched simultaneously to lidar operation. Additional estimates of the boundary layer height are based on the determination of the first order derivative of the range-corrected rotational Raman lidar signals. This latter approach results to be successfully applicable also in the afternoon-evening decaying phase of the PBL, when the effectiveness of the approach based on the elastic lidar signals may be compromised or altered by the presence of the residual layer. Results from these different approaches are compared and discussed in the paper, with a specific focus on selected case studies collected by the University of Basilicata Raman lidar system BASIL during the Convective and Orographically-induced Precipitation Study (COPS).

Model-based estimation with boundary side information or boundary regularization [cardiac emission CT].

PubMed

Chiao, P C; Rogers, W L; Fessler, J A; Clinthorne, N H; Hero, A O

1994-01-01

The authors have previously developed a model-based strategy for joint estimation of myocardial perfusion and boundaries using ECT (emission computed tomography). They have also reported difficulties with boundary estimation in low contrast and low count rate situations. Here they propose using boundary side information (obtainable from high resolution MRI and CT images) or boundary regularization to improve both perfusion and boundary estimation in these situations. To fuse boundary side information into the emission measurements, the authors formulate a joint log-likelihood function to include auxiliary boundary measurements as well as ECT projection measurements. In addition, they introduce registration parameters to align auxiliary boundary measurements with ECT measurements and jointly estimate these parameters with other parameters of interest from the composite measurements. In simulated PET O-15 water myocardial perfusion studies using a simplified model, the authors show that the joint estimation improves perfusion estimation performance and gives boundary alignment accuracy of <0.5 mm even at 0.2 million counts. They implement boundary regularization through formulating a penalized log-likelihood function. They also demonstrate in simulations that simultaneous regularization of the epicardial boundary and myocardial thickness gives comparable perfusion estimation accuracy with the use of boundary side information.

Oblique radiation lateral open boundary conditions for a regional climate atmospheric model

NASA Astrophysics Data System (ADS)

Cabos Narvaez, William; De Frutos Redondo, Jose Antonio; Perez Sanz, Juan Ignacio; Sein, Dmitry

2013-04-01

The prescription of lateral boundary conditions in regional atmospheric models represent a very important issue for limited area models. The ill-posed nature of the open boundary conditions makes it necessary to devise schemes in order to filter spurious wave reflections at boundaries, being desirable to have one boundary condition per variable. On the other side, due to the essentially hyperbolic nature of the equations solved in state of the art atmospheric models, external data is required only for inward boundary fluxes. These circumstances make radiation lateral boundary conditions a good choice for the filtering of spurious wave reflections. Here we apply the adaptive oblique radiation modification proposed by Mikoyada and Roseti to each of the prognostic variables of the REMO regional atmospheric model and compare it to the more common normal radiation condition used in REMO. In the proposed scheme, special attention is paid to the estimation of the radiation phase speed, essential to detecting the direction of boundary fluxes. One of the differences with the classical scheme is that in case of outward propagation, the adaptive nudging imposed in the boundaries allows to minimize under and over specifications problems, adequately incorporating the external information.

An interaction algorithm for prediction of mean and fluctuating velocities in two-dimensional aerodynamic wake flows

NASA Technical Reports Server (NTRS)

Baker, A. J.; Orzechowski, J. A.

1980-01-01

A theoretical analysis is presented yielding sets of partial differential equations for determination of turbulent aerodynamic flowfields in the vicinity of an airfoil trailing edge. A four phase interaction algorithm is derived to complete the analysis. Following input, the first computational phase is an elementary viscous corrected two dimensional potential flow solution yielding an estimate of the inviscid-flow induced pressure distribution. Phase C involves solution of the turbulent two dimensional boundary layer equations over the trailing edge, with transition to a two dimensional parabolic Navier-Stokes equation system describing the near-wake merging of the upper and lower surface boundary layers. An iteration provides refinement of the potential flow induced pressure coupling to the viscous flow solutions. The final phase is a complete two dimensional Navier-Stokes analysis of the wake flow in the vicinity of a blunt-bases airfoil. A finite element numerical algorithm is presented which is applicable to solution of all partial differential equation sets of inviscid-viscous aerodynamic interaction algorithm. Numerical results are discussed.

Selective Growth of Low Stored Energy Grains During δ Sub-solvus Annealing in the Inconel 718 Nickel-Based Superalloy

NASA Astrophysics Data System (ADS)

Agnoli, Andrea; Bernacki, Marc; Logé, Roland; Franchet, Jean-Michel; Laigo, Johanne; Bozzolo, Nathalie

2015-09-01

The microstructure stability during δ sub-solvus annealing in Inconel 718 was investigated, focusing on the conditions that may lead to the development of very large grains (about 100 μm) in a recrystallized fine grained matrix (4 to 5 μm) despite the presence of second-phase particles. Microstructure evolution was analyzed by EBSD (grain size, intragranular misorientation) and SEM ( δ phase particles). Results confirm that, in the absence of stored energy, the grain structure is controlled by the δ phase particles, as predicted by the Smith-Zener equation. If the initial microstructure is strained ( ɛ < 0.1) before annealing, then low stored energy grains grow to a large extent, despite the Zener pinning forces exerted by the second-phase particles on the grain boundaries. Those selectively growing grains could be those of the initial microstructure that were the least deformed, or they could result from a nucleation process. The balance of three forces acting on boundary migration controls the growth process: if the sum of capillarity and stored energy driving forces exceeds the Zener pinning force, then selective grain growth occurs. Such phenomenon could be simulated, using a level set approach in a finite element context, by taking into account the three forces acting on boundary migration and by considering a realistic strain energy distribution (estimated from EBSD measurements).

Integral equation theory study on the phase separation in star polymer nanocomposite melts.

PubMed

Zhao, Lei; Li, Yi-Gui; Zhong, Chongli

2007-10-21

The polymer reference interaction site model theory is used to investigate phase separation in star polymer nanocomposite melts. Two kinds of spinodal curves were obtained: classic fluid phase boundary for relatively low nanoparticle-monomer attraction strength and network phase boundary for relatively high nanoparticle-monomer attraction strength. The network phase boundaries are much more sensitive with nanoparticle-monomer attraction strength than the fluid phase boundaries. The interference among the arm number, arm length, and nanoparticle-monomer attraction strength was systematically investigated. When the arm lengths are short, the network phase boundary shows a marked shift toward less miscibility with increasing arm number. When the arm lengths are long enough, the network phase boundaries show opposite trends. There exists a crossover arm number value for star polymer nanocomposite melts, below which the network phase separation is consistent with that of chain polymer nanocomposite melts. However, the network phase separation shows qualitatively different behaviors when the arm number is larger than this value.

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

Structure and transport at grain boundaries in polycrystalline olivine: An atomic-scale perspective

NASA Astrophysics Data System (ADS)

Mantisi, Boris; Sator, Nicolas; Guillot, Bertrand

2017-12-01

Structure and transport properties at grain boundaries in polycrystalline olivine have been investigated at the atomic scale by molecular dynamics simulation (MD) using an empirical ionocovalent interaction potential. On the time scale of the simulation (a few tens of nanoseconds for a system size of ∼650,000 atoms) grain boundaries and grain interior were identified by mapping the atomic displacements along the simulation run. In the investigated temperature range (1300-1700 K) the mean thickness of the grain boundary phase is evaluated between 0.5 and 2 nm, a value which depends on temperature and grain size. The structure of the grain boundary phase is found to be disordered (amorphous-like) and is different from the one exhibited by the supercooled liquid. The self-diffusion coefficients of major elements in the intergranular region range from ∼10-13 to 10-10 m2/s between 1300 and 1700 K (with DSigb < DOgb < DFegb < DMggb) and are only one order of magnitude smaller than those evaluated in the supercooled melt. In using a newly derived expression for the bulk self-diffusion coefficient it is concluded that the latter one is driven by the grain boundary contribution as long as the grain size is smaller than a centimeter. In assuming that the electrical conduction at grain boundaries is purely ionic, the macroscopic grain boundary conductivity is found to be two orders of magnitude lower than in molten olivine, and one order of magnitude higher than the lattice conductivity. A consequence is that the conductivity of the olivine polycrystal is dominated by the grain interior contribution as soon as the grain size is larger than a micrometer or so. The grain boundary viscosity has been evaluated from the Green-Kubo relation expressing the viscosity as function of the stress tensor time correlation function. In spite of a slow convergence of the calculation by MD, the grain boundary viscosity was estimated about ∼105 Pa s at 1500 K, a value in agreement with high-temperature viscoelastic relaxation data. An interesting information gained from MD is that sliding at grain boundaries is essentially controlled by the internal friction between the intergranular phase and the grain edges.

The Learning of Peace.

ERIC Educational Resources Information Center

Boulding, Kenneth E.

The international system exhibits very sharp phase boundaries, the most striking of which is the boundary between war and peace. A phase boundary for water would be the difference between water and ice, influenced by pressure and temperature. Similarly the phase boundary between war and peace is influenced by national strength and stress. Although…

Sharp at any Age: Moho boundary thickness estimates along a trans-sect through 2 Ga of tectonic history.

NASA Astrophysics Data System (ADS)

Servali, A.; Levin, V. L.; VanTongeren, J. A.

2015-12-01

In this study we evaluate crustal thickness and Moho sharpness beneath seismic stations in three different tectonic units of the North American continent: the Archean Superior Province, the Proterozoic Grenville Province, and the Paleozoic Appalachian Orogen. Our analysis involves two steps. First, for each site, we produce P-to-S receiver functions (RFs) organized by backazimuth and epicentral distance, and use them to identify the phase most likely representing a conversion from the Moho. Second, we construct averaged RFs for groups of telesismic events located in a similar geographic region, which we employ to examine shapes of Moho P-to-S converted phases in time series with maximum frequencies increasing from 0.25Hz to 2-3 Hz. At some sites we observe a progressive narrowing of a simple Moho converted phase with an increase in frequency, typical of a vertically instantaneous boundary, while at others the converted phase becomes progressively more complex, typical of a diffuse Moho. Thus, we adopt this difference in converted wave shape dependence on increasing frequency as a measure of Moho thickness. Our estimates of Moho thickness range from less than 300 m to over 2 km, with some locations showing evidence for multiple converting boundaries in the 35-50 km depth range. In this study we define "sharp" Moho at those sites where its vertical thickness is less than 1 km. Our results show that sharp Moho is universal in the Archean terranes regardless of surface lithology, likely due to higher Moho temperatures facilitating wide-spread delamination of dense lower crustal rocks. While a sharp Moho is not unique to the Superior Province, all Grenville and Appalachians sites where we find sharp Moho are in regions of granitic plutonism, suggesting a possible general association with reworking and density sorting of the crustal material (e.g. volcanic arc).

Domain-averaged, Shallow Precipitation Measurements During the Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA)

NASA Astrophysics Data System (ADS)

Lamer, K.; Luke, E. P.; Kollias, P.; Oue, M.; Wang, J.

2017-12-01

The Atmospheric Radiation Measurement (ARM) Climate Research Facility operates a fixed observatory in the Eastern North Atlantic (ENA) on Graciosa Island in the Azores. Straddling the tropics and extratropics, the Azores receive air transported from North America, the Arctic and sometimes Europe. At the ARM ENA site, marine boundary layer clouds are frequently observed all year round. Estimates of drizzle mass flux from the surface to cloud base height are documented using a combination of high sensitivity profiling 35-GHz radar and ceilometer observations. Three years of drizzle mass flux retrievals reveal that statistically, directly over the ENA site, marine boundary layer cloud drizzle rates tend to be weak with few heavy drizzle events. In the summer of 2017, this site hosted the first phase of the Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA) field campaign, which is motivated by the need for comprehensive in situ characterization of boundary layer structure, low clouds and aerosols. During this phase, the 35-GHz scanning ARM cloud radar was operated as a surveillance radar, providing regional context for the profiling observations. While less sensitive, the scanning radar measurements document a larger number of heavier drizzle events and provide domain-representative estimates of shallow precipitation. A best estimate, domain averaged, shallow precipitation rate for the region around the ARM ENA site is presented. The methodology optimally combines the ability of the profiling observations to detect the weak but frequently occurring drizzle events with the scanning cloud radar's ability to capture the less frequent heavier drizzle events. The technique is also evaluated using high resolution model output and a sophisticated forward radar operator.

Detecting Phase Boundaries in Hard-Sphere Suspensions

NASA Technical Reports Server (NTRS)

McDowell, Mark; Rogers, Richard B.; Gray, Elizabeth

2009-01-01

A special image-data-processing technique has been developed for use in experiments that involve observation, via optical microscopes equipped with electronic cameras, of moving boundaries between the colloidal-solid and colloidal-liquid phases of colloidal suspensions of monodisperse hard spheres. During an experiment, it is necessary to adjust the position of a microscope to keep the phase boundary within view. A boundary typically moves at a speed of the order of microns per hour. Because an experiment can last days or even weeks, it is impractical to require human intervention to keep the phase boundary in view. The present image-data-processing technique yields results within a computation time short enough to enable generation of automated-microscope-positioning commands to track the moving phase boundary

Electrical transport through individual nanowires with transverse grain boundaries

NASA Astrophysics Data System (ADS)

Xue, X. Y.; Feng, P.; Wang, C.; Chen, Y. J.; Wang, Y. G.; Wang, T. H.

2006-07-01

V2O4•0.25H2O nanowires are synthesized via hydrothermal route. The nanowires are of metastable phase, and transverse grain boundaries are observed in their microstructures. Transport through individual V2O4•0.25H2O nanowires shows nonlinear current-voltage (I-V) characteristics in the bias range of -3to3V. The resistance rapidly decreases from 2.54to0.5MΩ as the bias is raised from 0to1V. Such behaviors can be attributed to the presence of the barrier at the transverse grain boundary. By analyzing the I-V curves at various temperatures, the effective barrier height is estimated to be about 0.13eV. Our results provide important information about how the microstructure mismatch affects the electrical properties.

A level set method for multiple sclerosis lesion segmentation.

PubMed

Zhao, Yue; Guo, Shuxu; Luo, Min; Shi, Xue; Bilello, Michel; Zhang, Shaoxiang; Li, Chunming

2018-06-01

In this paper, we present a level set method for multiple sclerosis (MS) lesion segmentation from FLAIR images in the presence of intensity inhomogeneities. We use a three-phase level set formulation of segmentation and bias field estimation to segment MS lesions and normal tissue region (including GM and WM) and CSF and the background from FLAIR images. To save computational load, we derive a two-phase formulation from the original multi-phase level set formulation to segment the MS lesions and normal tissue regions. The derived method inherits the desirable ability to precisely locate object boundaries of the original level set method, which simultaneously performs segmentation and estimation of the bias field to deal with intensity inhomogeneity. Experimental results demonstrate the advantages of our method over other state-of-the-art methods in terms of segmentation accuracy. Copyright © 2017 Elsevier Inc. All rights reserved.

Estimating the composition of hydrates from a 3D seismic dataset near Penghu Canyon on Chinese passive margin offshore Taiwan

NASA Astrophysics Data System (ADS)

Chi, Wu-Cheng

2016-04-01

A bottom-simulating reflector (BSR), representing the base of the gas hydrate stability zone, can be used to estimate geothermal gradients under seafloor. However, to derive temperature estimates at the BSR, the correct hydrate composition is needed to calculate the phase boundary. Here we applied the method by Minshull and Keddie to constrain the hydrate composition and the pore fluid salinity. We used a 3D seismic dataset offshore SW Taiwan to test the method. Different from previous studies, we have considered the effects of 3D topographic effects using finite element modelling and also depth-dependent thermal conductivity. Using a pore water salinity of 2% at the BSR depth as found from the nearby core samples, we successfully used 99% methane and 1% ethane gas hydrate phase boundary to derive a sub-bottom depth vs. temperature plot which is consistent with the seafloor temperature from in-situ measurements. The results are also consistent with geochemical analyses of the pore fluids. The derived regional geothermal gradient is 40.1oC/km, which is similar to 40oC/km used in the 3D finite element modelling used in this study. This study is among the first documented successful use of Minshull and Keddie's method to constrain seafloor gas hydrate composition.

Predicting Loss-of-Control Boundaries Toward a Piloting Aid

NASA Technical Reports Server (NTRS)

Barlow, Jonathan; Stepanyan, Vahram; Krishnakumar, Kalmanje

2012-01-01

This work presents an approach to predicting loss-of-control with the goal of providing the pilot a decision aid focused on maintaining the pilot's control action within predicted loss-of-control boundaries. The predictive architecture combines quantitative loss-of-control boundaries, a data-based predictive control boundary estimation algorithm and an adaptive prediction method to estimate Markov model parameters in real-time. The data-based loss-of-control boundary estimation algorithm estimates the boundary of a safe set of control inputs that will keep the aircraft within the loss-of-control boundaries for a specified time horizon. The adaptive prediction model generates estimates of the system Markov Parameters, which are used by the data-based loss-of-control boundary estimation algorithm. The combined algorithm is applied to a nonlinear generic transport aircraft to illustrate the features of the architecture.

Analysis of gene expression levels in individual bacterial cells without image segmentation

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

Kwak, In Hae; Son, Minjun; Hagen, Stephen J., E-mail: sjhagen@ufl.edu

2012-05-11

Highlights: Black-Right-Pointing-Pointer We present a method for extracting gene expression data from images of bacterial cells. Black-Right-Pointing-Pointer The method does not employ cell segmentation and does not require high magnification. Black-Right-Pointing-Pointer Fluorescence and phase contrast images of the cells are correlated through the physics of phase contrast. Black-Right-Pointing-Pointer We demonstrate the method by characterizing noisy expression of comX in Streptococcus mutans. -- Abstract: Studies of stochasticity in gene expression typically make use of fluorescent protein reporters, which permit the measurement of expression levels within individual cells by fluorescence microscopy. Analysis of such microscopy images is almost invariably based on amore » segmentation algorithm, where the image of a cell or cluster is analyzed mathematically to delineate individual cell boundaries. However segmentation can be ineffective for studying bacterial cells or clusters, especially at lower magnification, where outlines of individual cells are poorly resolved. Here we demonstrate an alternative method for analyzing such images without segmentation. The method employs a comparison between the pixel brightness in phase contrast vs fluorescence microscopy images. By fitting the correlation between phase contrast and fluorescence intensity to a physical model, we obtain well-defined estimates for the different levels of gene expression that are present in the cell or cluster. The method reveals the boundaries of the individual cells, even if the source images lack the resolution to show these boundaries clearly.« less

Contributions of phase and structural transformations in multicomponent Al-Mg alloys to the linear and nonlinear mechanisms of anelasticity

NASA Astrophysics Data System (ADS)

Golovin, I. S.; Bychkov, A. S.; Mikhailovskaya, A. V.; Dobatkin, S. V.

2014-02-01

The effects of the processes of severe plastic deformation (SPD), recrystallization, and precipitation of the β phase in multicomponent alloys of the Al-5Mg-Mn-Cr and Al-(4-5%)Mg-Mn-Zn-Sc systems on the mechanisms of grain-boundary relaxation and dislocation-induced microplasticity have been studied in some detail. To stabilize the ultrafine-grained structure and prevent grain growth, dispersed Al-transition-metal particles, such as Al3Zr, Al6Mn, Al7Cr, Al6(Mn,Cr), Al18Cr2Mg3 have been used. We have special interest in alloys with additions of scandium, which forms compounds of the Al3Sc type and favors the precipitation of finer particles compared to the aluminides of other transition metals. After SPD, Al-(4-5%)Mg-Mn-Zr-Sc alloys exhibit an enhanced recrystallization temperature. The general features of the dislocation and grain-boundary anelasticity that have been established for the binary Al-Mg alloys are retained; i.e., (1) the decrease in the dislocation density in the process of recrystallization of cold-worked alloys leads to the formation of a pseudo-peak in the curves of the temperature dependences of internal friction (TDIF) and to a decrease in the critical amplitude of deformation corresponding to the onset of dislocation motion in a stress field; (2) the precipitation of the β phase suppresses the grain-boundary relaxation; (3) the dissolution of the β phase, the passage of the magnesium atoms into the solid solution, and the precipitation of the β' phase upon heating hinder the motion of dislocations; (4) the coarsening of the highly dispersed particles containing Zr and Sc increases the dislocation mobility. The grain-boundary relaxation and dislocation-impurity interaction and their temperature dependences, as well as processes of the additional alloying of the binary alloys by Mn, Cr, Zr, and Sc, have been estimated quantitatively.

A new momentum integral method for approximating bed shear stress

NASA Astrophysics Data System (ADS)

Wengrove, M. E.; Foster, D. L.

2016-02-01

In nearshore environments, accurate estimation of bed stress is critical to estimate morphologic evolution, and benthic mass transfer fluxes. However, bed shear stress over mobile boundaries in wave environments is notoriously difficult to estimate due to the non-equilibrium boundary layer. Approximating the friction velocity with a traditional logarithmic velocity profile model is common, but an unsteady non-uniform flow field violates critical assumptions in equilibrium boundary layer theory. There have been several recent developments involving stress partitioning through an examination of the momentum transfer contributions that lead to improved estimates of the bed stress. For the case of single vertical profile observations, Mehdi et al. (2014) developed a full momentum integral-based method for steady-unidirectional flow that integrates the streamwise Navier-Stokes equation three times to an arbitrary position within the boundary layer. For the case of two-dimensional velocity observations, Rodriguez-Abudo and Foster (2014) were able to examine the momentum contributions from waves, turbulence and the bedform in a spatial and temporal averaging approach to the Navier-Stokes equations. In this effort, the above methods are combined to resolve the bed shear stress in both short and long wave dominated environments with a highly mobile bed. The confluence is an integral based approach for determining bed shear stress that makes no a-priori assumptions of boundary layer shape and uses just a single velocity profile time series for both the phase dependent case (under waves) and the unsteady case (under solitary waves). The developed method is applied to experimental observations obtained in a full scale laboratory investigation (Oregon State's Large Wave Flume) of the nearbed velocity field over a rippled sediment bed in oscillatory flow using both particle image velocimetry and a profiling acoustic Doppler velocimeter. This method is particularly relevant for small scale field observations and laboratory observations.

A theoretical model of grain boundary self-diffusion in metals with phase transitions (case study into titanium and zirconium)

NASA Astrophysics Data System (ADS)

Semenycheva, Alexandra V.; Chuvil'deev, Vladimir N.; Nokhrin, Aleksey V.

2018-05-01

The paper offers a model describing the process of grain boundary self-diffusion in metals with phase transitions in the solid state. The model is based on ideas and approaches found in the theory of non-equilibrium grain boundaries. The range of application of basic relations contained in this theory is shown to expand, as they can be used to calculate the parameters of grain boundary self-diffusion in high-temperature and low-temperature phases of metals with a phase transition. The model constructed is used to calculate grain boundary self-diffusion activation energy in titanium and zirconium and an explanation is provided as to their abnormally low values in the low-temperature phase. The values of grain boundary self-diffusion activation energy are in good agreement with the experiment.

An Evaluation of a Phase-Lag Boundary Condition for Francis Hydroturbine Simulations Using a Pressure-Based Solver

NASA Astrophysics Data System (ADS)

Wouden, Alex; Cimbala, John; Lewis, Bryan

2014-11-01

While the periodic boundary condition is useful for handling rotational symmetry in many axisymmetric geometries, its application fails for analysis of rotor-stator interaction (RSI) in multi-stage turbomachinery flow. The inadequacy arises from the underlying geometry where the blade counts per row differ, since the blade counts are crafted to deter the destructive harmonic forces of synchronous blade passing. Therefore, to achieve the computational advantage of modeling a single blade passage per row while preserving the integrity of the RSI, a phase-lag boundary condition is adapted to OpenFOAM® software's incompressible pressure-based solver. The phase-lag construct is accomplished through restating the implicit periodic boundary condition as a constant boundary condition that is updated at each time step with phase-shifted data from the coupled cells adjacent to the boundary. Its effectiveness is demonstrated using a typical Francis hydroturbine modeled as single- and double-passages with phase-lag boundary conditions. The evaluation of the phase-lag condition is based on the correspondence of the overall computational performance and the calculated flow parameters of the phase-lag simulations with those of a baseline full-wheel simulation. Funded in part by DOE Award Number: DE-EE0002667.

Phase equilibria and velocity discontinuities across the post-perovskite transition in (Mg,Fe)SiO3

NASA Astrophysics Data System (ADS)

Wentzcovitch, Renata; Shukla, Gaurav; Sarkar, Kanchan

The enigmatic nature of the region above the Earth's core-mantle boundary known as the D'' region, is often characterized by a significant contrast in seismic wave velocities. The perovskite (Pv) to post-perovskite (PPv) transition in bridgmanite ((Mg,Fe)SiO3 perovskite) is one of the keys for understanding this region. In this study, we present DFT + USC calculations of phase equilibria in bridgmanite across the post-perovskite transition. Thermal effects are addressed within the quasi-harmonic approximation. By computing high-pressure and high-temperatures elastic/acoustic properties of Pv and PPv phases, we also investigate seismic signature of the PPv-transition, believed to cause the D'' discontinuity. Aggregate elastic moduli and sound velocities for the Mg-end member are successfully compared with limited experimental data available. Predicted velocity discontinuities across the PPv transition are consistent with seismic observations in some places of the global D'' discontinuity. Our robust estimates of the phase boundary and elastic properties of the perovskite and post-perovskite phases will help to clarify the origin of lateral velocity variations in the deep lower mantle region and constrain its composition and thermal structure. 1This research was supported primarily by NSF Grants EAR 1348066 and DMR 1503084. Computations are performed at the Minnesota Su- percomputing Institute (MSI).

Phase diagram of the triangular-lattice Potts antiferromagnet

DOE PAGES

Jacobsen, Jesper Lykke; Salas, Jesus; Scullard, Christian R.

2017-07-28

Here, we study the phase diagram of the triangular-lattice Q-state Potts model in the realmore » $(Q, v)$ -plane, where $$v={\\rm e}^J-1$$ is the temperature variable. Our first goal is to provide an obviously missing feature of this diagram: the position of the antiferromagnetic critical curve. This curve turns out to possess a bifurcation point with two branches emerging from it, entailing important consequences for the global phase diagram. We have obtained accurate numerical estimates for the position of this curve by combining the transfer-matrix approach for strip graphs with toroidal boundary conditions and the recent method of critical polynomials. The second goal of this work is to study the corresponding $$A_{p-1}$$ RSOS model on the torus, for integer $$p=4, 5, \\ldots, 8$$ . We clarify its relation to the corresponding Potts model, in particular concerning the role of boundary conditions. For certain values of p, we identify several new critical points and regimes for the RSOS model and we initiate the study of the flows between the corresponding field theories.« less

Imaging and estimating the surface heterogeneity on a droplet containing cosolvents.

PubMed

Fang, Xiaohua; Li, Bingquan; Wu, Jun; Maldarelli, Charles; Sokolov, Jonathan C; Rafailovich, Miriam H; Somasundaran, Ponisseril

2009-07-23

Cosolvents have numerous applications in many industries as well as scientific research. The shortage in the knowledge of the structures in a cosolvent system is significant. In this work, we display the spatial as well as the kinetic distribution of the cosolvents using droplets as paradigms. When an alcohol/water-containing sessile droplet evaporates on a substrate, it phase segregates into a water-enriched core and a thin alcohol prevailing shell. This is considered to be due to the different escaping rate of solvents out of the liquid-vapor (l-v) interfaces. In between the core and shell phases, there exists a rough and solid-like liquid-liquid (l-l) wall interface as marked by the fluorescent polystyrene spheres and imaged by a confocal microscope. Holes and patches of beads are observed to form on this phase boundary. The water-dispersed beads prefer to partition within the core. The shell prevails in the droplet during most of the drying and shrinks with the l-v boundary. By monitoring the morphological progression of the droplet, the composition of the cosolvent at the liquid-vapor interface is obtained.

A time-dependent diffusion convection model for the long term modulation of cosmic rays

NASA Technical Reports Server (NTRS)

Gallagher, J. J.

1974-01-01

A model is developed which incorporates to first order the direct effects of the time dependent diffusive propagation of interstellar cosmic rays in a slowly changing interplanetary medium. The model provides a physical explanation for observed rigidity-dependent phase lags in modulated spectra (cosmic ray hysteresis). The average distance to the modulating boundary during the last solar cycle is estimated.

Grain boundary phases in bcc metals

DOE PAGES

Frolov, T.; Setyawan, W.; Kurtz, R. J.; ...

2018-01-01

Evolutionary grand-canonical search predicts novel grain boundary structures and multiple grain boundary phases in elemental body-centered cubic (bcc) metals represented by tungsten, tantalum and molybdenum.

Investigations of infiltration processes from flooded areas by column experiments

NASA Astrophysics Data System (ADS)

Mohrlok, U.; Bethge, E.; Golalipour, A.

2009-04-01

In case of inundation of flood plains during flood events there is an increased risk of groundwater contamination due to infiltration of increasingly polluted river water. Specifically in densely populated regions, this groundwater may be used as source for drinking water supply. For the evaluation of this a detailed quantitative understanding of the infiltration processes under such conditions is required. In this context the infiltration related to a flood event can be described by three phases. The first phase is defined by the saturation of the unsaturated soils. Within the second phase infiltration takes place under almost saturated conditions determined by the hydraulic load of the flood water level. The drainage of the soils due to falling groundwater table is characterizing the third phase. Investigations by soil columns gave a detailed insight into the infiltration processes caused by flooding. Inflow at the soil top was established by a fixed water table fed by a Mariotte bottle. Free outflow and a groundwater table were used as lower boundary condition. Inflow and outflow volume were monitored. The evolution of the matrix pressure was observed by micro-tensiometers installed at several depths within the soil column. The flow processes during phase one and two were characterized by a tracer test. Some of the experiments were repeated in order to study the influence of preliminary events. Main results were a difference in infiltration due to the lower boundary condition with regard to inflow rate, outflow dynamics and matrix pressure evolution which is directly related to the water content evolution. Further, the influence of preliminary events was different for the different boundary conditions. A replacement of pre-event water could be observed which was confirmed by volume balances calculated for the infiltration experiments. Although these water balances were almost closed significant dynamics of the matrix pressure remained in soil column in the drainage phase. The detailed analysis of the hydraulic conditions and the flow rates provided an estimate of the unsaturated hydraulic conductivity that could be related to the degree of saturation. Numerical simulations were not able to reproduce these conditions. These results could be used to estimate time scales of flow and solute transport in soils caused by flood events.

Dynamic Monte Carlo Simulations of Phase Ordering in Br Electrosorption on Ag(100)

NASA Astrophysics Data System (ADS)

Mitchell, S. J.; Brown, G.; Rikvold, P. A.

2000-03-01

We study the dynamics of Br electrosorption on single-crystal Ag(100) by Monte Carlo simulation. The system has a second-order phase transition from a low-coverage disordered phase at more negative potentials to a doubly degenerate c(2× 2) ordered phase at more positive potentials.(B.M. Ocko, et al.), Phys. Rev. Lett. 79, 1511 (1997). Effective lateral interactions were estimated by fitting equilibrium Monte Carlo isotherms to experiments. These are well described by nearest-neighbor exclusion and repulsive 1/r^3 interactions.(M.T.M. Koper, J. Electroanal. Chem. 450), 189 (1997). Considering adsorption/desorption and diffusion with barriers estimated from ab-initio calculations,(A. Ignaczak and J.A.N.F. Gomes, J. Electroanal. Chem. 420), 71 (1997). we simulate the time dependent Br coverage, order parameter, and x-ray scattering intensity following sudden potential steps across the phase boundary. For steps far into the ordered phase, dynamical scaling is observed. For smaller steps, the dynamics are more complicated. We also analyze hysteresis in a simulated cyclic-voltammetry experiment. Movies at http://www.scri.fsu.edu/ ~mitchell/.

Symmetry-protected topological insulator and its symmetry-enriched topologically ordered boundary

NASA Astrophysics Data System (ADS)

Wang, Juven; Wen, Xiao-Gang; Witten, Edward

We propose a mechanism for achieving symmetry-enriched topologically ordered boundaries for symmetry-protected topological states, including those of topological insulators. Several different boundary phases and their phase transitions are considered, including confined phases, deconfined phases, symmetry-breaking, gapped and gapless phases. National Science Foundation PHY-1606531, Corning Glass Works Foundation Fellowship, NSF Grant DMR- 1506475 and NSFC 11274192, the BMO Financial Group and the John Templeton Foundation No. 39901.

Phase boundaries of power-law Anderson and Kondo models: A poor man's scaling study

NASA Astrophysics Data System (ADS)

Cheng, Mengxing; Chowdhury, Tathagata; Mohammed, Aaron; Ingersent, Kevin

2017-07-01

We use the poor man's scaling approach to study the phase boundaries of a pair of quantum impurity models featuring a power-law density of states ρ (ɛ ) ∝|ɛ| r , either vanishing (for r >0 ) or diverging (for r <0 ) at the Fermi energy ɛ =0 , that gives rise to quantum phase transitions between local-moment and Kondo-screened phases. For the Anderson model with a pseudogap (i.e., r >0 ), we find the phase boundary for (a) 0 1 , where the phases are separated by first-order quantum phase transitions that are accessible only for broken p-h symmetry. For the p-h-symmetric Kondo model with easy-axis or easy-plane anisotropy of the impurity-band spin exchange, the phase boundary and scaling trajectories are obtained for both r >0 and r <0 . Throughout the regime of weak-to-moderate impurity-band coupling in which poor man's scaling is expected to be valid, the approach predicts phase boundaries in excellent qualitative and good quantitative agreement with the nonperturbative numerical renormalization group, while also establishing the functional relations between model parameters along these boundaries.

A Rotational Pressure-Correction Scheme for Incompressible Two-Phase Flows with Open Boundaries

PubMed Central

Dong, S.; Wang, X.

2016-01-01

Two-phase outflows refer to situations where the interface formed between two immiscible incompressible fluids passes through open portions of the domain boundary. We present several new forms of open boundary conditions for two-phase outflow simulations within the phase field framework, as well as a rotational pressure correction based algorithm for numerically treating these open boundary conditions. Our algorithm gives rise to linear algebraic systems for the velocity and the pressure that involve only constant and time-independent coefficient matrices after discretization, despite the variable density and variable viscosity of the two-phase mixture. By comparing simulation results with theory and the experimental data, we show that the method produces physically accurate results. We also present numerical experiments to demonstrate the long-term stability of the method in situations where large density contrast, large viscosity contrast, and backflows occur at the two-phase open boundaries. PMID:27163909

Estimation of anomaly location and size using electrical impedance tomography.

PubMed

Kwon, Ohin; Yoon, Jeong Rock; Seo, Jin Keun; Woo, Eung Je; Cho, Young Gu

2003-01-01

We developed a new algorithm that estimates locations and sizes of anomalies in electrically conducting medium based on electrical impedance tomography (EIT) technique. When only the boundary current and voltage measurements are available, it is not practically feasible to reconstruct accurate high-resolution cross-sectional conductivity or resistivity images of a subject. In this paper, we focus our attention on the estimation of locations and sizes of anomalies with different conductivity values compared with the background tissues. We showed the performance of the algorithm from experimental results using a 32-channel EIT system and saline phantom. With about 1.73% measurement error in boundary current-voltage data, we found that the minimal size (area) of the detectable anomaly is about 0.72% of the size (area) of the phantom. Potential applications include the monitoring of impedance related physiological events and bubble detection in two-phase flow. Since this new algorithm requires neither any forward solver nor time-consuming minimization process, it is fast enough for various real-time applications in medicine and nondestructive testing.

Two modes of grain boundary pinning by coherent precipitates

DOE PAGES

Wang, Nan; Ji, Yanzhou; Wang, Yongbiao; ...

2017-06-18

Here, we propose a two-mechanism theory to estimate the pinning effect of coherent precipitates on grain-boundary (GB) migration in grain growth, taking into account the important effect of elastic misfit strain at the coherent interface. Depending on the relative importance of the elastic and the GB contributions to the total free energy, Zener type stabilization or a novel elastic energy induced stabilization may occur. It is found that the pinning is most effective in the crossover region between these two mechanisms. Finally, a phase-field-crystal model is used to numerically validate the theory. Relevant experiments and potential impacts on alloy designmore » are also discussed.« less

East Timor: Potential Issues for Congress

DTIC Science & Technology

2005-05-04

up to 40%among urban youth Exports: Coffee, sandalwood , marble with potential for oil , gas and vanilla exports Life expectancy at birth: 62 years (2003...phase, particularly for capacity building in governance, and even as revenue from oil and gas from the Timor Gap increases. Other economic activity...future division of an estimated tens of billions in oil and gas deposits beneath the ocean floor. East Timor has argued that the maritime boundary

Discovering the Role of Grain Boundary Complexions in Materials

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

Harmer, Martin P.

Grain boundaries are inherently an area of disorder in polycrystalline materials which define the transport and various other material properties. The relationship between the interfacial chemistry, structure and the material properties is not well understood. Among the various taxonomies for grain boundaries, Grain Boundary Complexion is a relatively new conceptual scheme that relates the structure and kinetic properties of grain boundaries. In this classification scheme, grain boundaries are considered to be distinct three dimensional (the thickness being considerably smaller as compared to the other two dimensions but nonetheless discernible) equilibrium thermodynamic phases abutted between two crystalline phases. The stability andmore » structure of these interfacial phases are dictated by various thermodynamic variables such as temperature, stress (pressure), interfacial chemistry (chemical potential) and most importantly by the energies of the adjoining crystal surfaces. These phases are only stable within the constraint of the adjoining grains. Although these interfacial phases are not stable in bulk form, they can transform from one complexion to another as a function of various thermodynamic variables analogous to the behavior of bulk phases. Examples of different complexions have been reported in various publications. However, a systematic investigation exploring the existence of grain boundary complexions in material systems other than alumina remains to be done. Although the role of interfacial chemistry on grain boundary complexions in alumina has been addressed, a clear understanding of the underlying thermodynamics governing complexion formation is lacking. Finally, the effects of grain boundary complexions in bulk material properties are widely unknown. Factors above urge a thorough exploration of grain boundary complexions in a range of different materials systems The purpose of the current program is to verify the existence of grain boundary complexion in a range of materials systems, and to characterize their structures, range of stability and selected physical properties. First, an Au-based bilayer interfacial phase was discovered at a bicrystal boundary in the Si-Au system. This bilayer transitioned abruptly to an intrinsic (“clean”) grain boundary phase, suggesting first-order phase behavior. This study represents the discovery of grain boundary complexions in a completely new system, i.e., a semiconductor-metal system, giving further support to the expectation that grain boundary complexions are a general phenomenon not limited to any particular class of materials. The TiO 2-CuO system exhibited four grain boundary interfacial phases: a monolayer, disordered bilayer, disordered trilayer, and non-wetting nanoscale amorphous drop (which likely resulted from dewetting of a nanoscale IGF). SiO 2 contamination was discovered in the TiO 2-CuO samples, and we hypothesize that this impurity may have caused an “order-disorder” transition to occur. In other words, we expect that pure TiO 2-CuO may have a higher tendency to exhibit ordered bilayer and trilayer complexions, which may also exhibit a well-defined order-disorder transition temperature. In this effort we have also identified unique complexion transitions in yttria and strontium titanate.« less

Advanced Instrumentation and Measurement Techniques for Near Surface Flows

NASA Astrophysics Data System (ADS)

Cadel, Daniel R.

The development of aerodynamic boundary layers on wind turbine blades is an important consideration in their performance. It can be quite challenging to replicate full scale conditions in laboratory experiments, and advanced diagnostics become valuable in providing data not available from traditional means. A new variant of Doppler global velocimetry (DGV) known as cross-correlation DGV is developed to measure boundary layer profiles on a wind turbine blade airfoil in the large scale Virginia Tech Stability Wind Tunnel. The instrument provides mean velocity vectors with reduced sensitivity to external conditions, a velocity measurement range from 0 ms-1 to over 3000 ms-1, and an absolute uncertainty. Monte Carlo simulations with synthetic signals reveal that the processing routine approaches the Cramer-Rao lower bound in optimized conditions. A custom probe-beam technique is implanted to eliminate laser flare for measuring boundary layer profiles on a DU96-W-180 wind turbine airfoil model. Agreement is seen with laser Doppler velocimetry data within the uncertainty estimated for the DGV profile. Lessons learned from the near-wall flow diagnostics development were applied to a novel benchmark model problem incorporating the relevant physical mechanisms of the high amplitude periodic turbulent flow experienced by turbine blades in the field. The model problem is developed for experimentally motivated computational model development. A circular cylinder generates a periodic turbulent wake, in which a NACA 63215b airfoil with a chord Reynolds number Rec = 170,000 is embedded for a reduced frequency k = pi f c/V = 1.53. Measurements are performed with particle image velocimetry on the airfoil suction side and in highly magnified planes within the boundary layer. Outside of the viscous region, the Reynolds stress profile is consistent with the prediction of Rapid Distortion Theory (RDT), confirming that the redistribution of normal stresses is an inviscid effect. The fluctuating component of the phase-averaged turbulent boundary layer profiles is described using the exact solution to laminar Stokes flow. A phase lag similar to that in laminar flow is observed with an additional constant phase layer in the buffer region. The phase lag is relevant for modeling the intermittent transition and separation expected at full scale.

Sondrestrom radar measurements of the reconnection electric field

NASA Technical Reports Server (NTRS)

De La Beaujardiere, O.; Lyons, L. R.; Friis-Christensen, E.

1991-01-01

The possibility of using Sondrestrom incoherent radar scatter to estimate the rate of solar-wind energy transfer is examined by using plasma-velocity measurements in the separatrix reference frame. The separatrix is the boundary between open and closed field lines, and its orientation is deduced from all-sky images. The radar observations are used to determine the separatrix location and the ionospheric plasma drift. Measurements of the reconnection electric field in the midnight sector for one night are taken, revealing that the field is less than 15 mV/m during the time of local polar-cap extension. During polar-cap contraction the field range is 30-40 mV/m, and these periods correspond to substorm expansive phases. The limitations associated with measuring ionospheric plasma drift, the boundary orientation, and boundary location are enumerated. The measurements in the experimental case demonstrate the possibility of plasma transfer from closed to open field lines.

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

Zhang, Kezhao; Ni, Longchang; Lei, Zhenglong, E-ma

The tensile deformation behavior of laser welded Ti{sub 2}AlNb joints was investigated using in situ analysis methods. The fracture mode of the single-B2-phase fusion zone was quasi-cleavage at room temperature and intergranular at 650 °C, while that of base metal was microvoid coalescence at both room temperature and 650 °C. Tensile deformation at room temperature was observed using in situ SEM tensile testing. In base metal, microcracks nucleated and propagated mainly within the O phase or along O/B2 phase boundaries. While both the cross- and multi-slips were found in the single-B2-phase fusion zone, a confocal laser scanning microscopy was usedmore » to observe the crack initiation and propagation process in situ at 650 °C. Cracks mainly formed along the B2/O phase boundaries in base metal, along the fragile grain boundaries of B2 phase in the fusion zone. The thermal simulation experiment and following TEM analysis indicated that the precipitation of continuous O-phase films along the B2 grain boundaries resulted in the high temperature brittleness of laser welded Ti{sub 2}AlNb joints. - Highlights: •Cracks formed within O phase or along B2/O boundaries in the base metal. •Cross- and multi-slips relieved stress in the fusion zone at room temperature. •Cracks mainly formed along the B2/O boundaries at 650 °C. •In the fusion zone, intergranular cracks were in situ observed at 650 °C. •O-phase films along B2 grain boundaries caused the high temperature brittleness.« less

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

Jacobsen, Jesper Lykke; Salas, Jesus; Scullard, Christian R.

Here, we study the phase diagram of the triangular-lattice Q-state Potts model in the realmore » $(Q, v)$ -plane, where $$v={\\rm e}^J-1$$ is the temperature variable. Our first goal is to provide an obviously missing feature of this diagram: the position of the antiferromagnetic critical curve. This curve turns out to possess a bifurcation point with two branches emerging from it, entailing important consequences for the global phase diagram. We have obtained accurate numerical estimates for the position of this curve by combining the transfer-matrix approach for strip graphs with toroidal boundary conditions and the recent method of critical polynomials. The second goal of this work is to study the corresponding $$A_{p-1}$$ RSOS model on the torus, for integer $$p=4, 5, \\ldots, 8$$ . We clarify its relation to the corresponding Potts model, in particular concerning the role of boundary conditions. For certain values of p, we identify several new critical points and regimes for the RSOS model and we initiate the study of the flows between the corresponding field theories.« less

The critical point and two-phase boundary of seawater, 200–500°C

USGS Publications Warehouse

Bischoff, James L.; Rosenbauer, Robert J.

1984-01-01

The two-phase boundary of seawater was determined by isothermal decompression of fully condensed seawater in the range of 200–500°C. The pressure at which phase separation occurred for each isotherm was determined by a comparison of the refractive index of fluid removed from the top and bottom of the reaction vessel. The critical point was determined to be in the range of 403–406°C, 285–302 bar and was located by the inflection in the two-phase boundary and by the relative volume of fluid and vapor as a function of temperature. The two-phase boundary of 3.2% NaCl solution was found to coincide exactly with that of seawater over the range tested in the present study. The boundary for both is described by a single seventh-order polynomial equation. The two-phase boundary defines the maximum temperature of seawater circulating at depth in the oceanic crust. Thus the boundary puts a limit of about 390°C for seawater circulating near the seafloor at active ocean ridges (2.5 km water depth), and about 465°C at the top of a magma chamber occurring at 2 km below the seafloor.

Gapped boundary phases of topological insulators via weak coupling

DOE PAGES

Seiberg, Nathan; Witten, Edward

2016-11-04

The standard boundary state of a topological insulator in 3 + 1 dimensions has gapless charged fermions. We present model systems that reproduce this standard gapless boundary state in one phase, but also have gapped phases with topological order. Our models are weakly coupled and all the dynamics is explicit. We rederive some known boundary states of topological insulators and construct new ones. Consistency with the standard spin/charge relation of condensed matter physics places a nontrivial constraint on models

EM algorithm applied for estimating non-stationary region boundaries using electrical impedance tomography

NASA Astrophysics Data System (ADS)

Khambampati, A. K.; Rashid, A.; Kim, B. S.; Liu, Dong; Kim, S.; Kim, K. Y.

2010-04-01

EIT has been used for the dynamic estimation of organ boundaries. One specific application in this context is the estimation of lung boundaries during pulmonary circulation. This would help track the size and shape of lungs of the patients suffering from diseases like pulmonary edema and acute respiratory failure (ARF). The dynamic boundary estimation of the lungs can also be utilized to set and control the air volume and pressure delivered to the patients during artificial ventilation. In this paper, the expectation-maximization (EM) algorithm is used as an inverse algorithm to estimate the non-stationary lung boundary. The uncertainties caused in Kalman-type filters due to inaccurate selection of model parameters are overcome using EM algorithm. Numerical experiments using chest shaped geometry are carried out with proposed method and the performance is compared with extended Kalman filter (EKF). Results show superior performance of EM in estimation of the lung boundary.

Enhanced conductivity at orthorhombic–rhombohedral phase boundaries in BiFeO 3 thin films

DOE PAGES

Heo, Yooun; Lee, Jin Hong; Xie, Lin; ...

2016-08-26

Enhanced properties in modern functional materials can often be found at structural transition regions, such as morphotropic phase boundaries (MPB), owing to the coexistence of multiple phases with nearly equivalent energies. Strain-engineered MPBs have emerged in epitaxially grown BiFeO 3 (BFO) thin films by precisely tailoring a compressive misfit strain, leading to numerous intriguing phenomena, such as a massive piezoelectric response, magnetoelectric coupling, interfacial magnetism and electronic conduction. Recently, an orthorhombic–rhombohedral (O–R) phase boundary has also been found in tensile-strained BFO. In this study, we characterise the crystal structure and electronic properties of the two competing O and R phasesmore » using X-ray diffraction, scanning probe microscope and scanning transmission electron microscopy (STEM). We observe the temperature evolution of R and O domains and find that the domain boundaries are highly conductive. Temperature-dependent measurements reveal that the conductivity is thermally activated for R–O boundaries. STEM observations point to structurally wide boundaries, significantly wider than in other systems. Furthermore, we reveal a strong correlation between the highly conductive domain boundaries and structural material properties. These findings provide a pathway to use phase boundaries in this system for novel nanoelectronic applications.« less

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

Kelly, Brandon C.; Shen, Yue

We employ a flexible Bayesian technique to estimate the black hole (BH) mass and Eddington ratio functions for Type 1 (i.e., broad line) quasars from a uniformly selected data set of {approx}58, 000 quasars from the Sloan Digital Sky Survey (SDSS) DR7. We find that the SDSS becomes significantly incomplete at M {sub BH} {approx}< 3 Multiplication-Sign 10{sup 8} M {sub Sun} or L/L {sub Edd} {approx}< 0.07, and that the number densities of Type 1 quasars continue to increase down to these limits. Both the mass and Eddington ratio functions show evidence of downsizing, with the most massive andmore » highest Eddington ratio BHs experiencing Type 1 quasar phases first, although the Eddington ratio number densities are flat at z < 2. We estimate the maximum Eddington ratio of Type 1 quasars in the observable universe to be L/L {sub Edd} {approx} 3. Consistent with our results in Shen and Kelly, we do not find statistical evidence for a so-called sub-Eddington boundary in the mass-luminosity plane of broad-line quasars, and demonstrate that such an apparent boundary in the observed distribution can be caused by selection effect and errors in virial BH mass estimates. Based on the typical Eddington ratio in a given mass bin, we estimate growth times for the BHs in Type 1 quasars and find that they are comparable to or longer than the age of the universe, implying an earlier phase of accelerated (i.e., with higher Eddington ratios) and possibly obscured growth. The large masses probed by our sample imply that most of our BHs reside in what are locally early-type galaxies, and we interpret our results within the context of models of self-regulated BH growth.« less

Do We Really Need Sinusoidal Surface Temperatures to Apply Heat Tracing Techniques to Estimate Streambed Fluid Fluxes?

NASA Astrophysics Data System (ADS)

Luce, C. H.; Tonina, D.; Applebee, R.; DeWeese, T.

2017-12-01

Two common refrains about using the one-dimensional advection diffusion equation to estimate fluid fluxes, thermal conductivity, or bed surface elevation from temperature time series in streambeds are that the solution assumes that 1) the surface boundary condition is a sine wave or nearly so, and 2) there is no gradient in mean temperature with depth. Concerns on these subjects are phrased in various ways, including non-stationarity in frequency, amplitude, or phase. Although the mathematical posing of the original solution to the problem might lead one to believe these constraints exist, the perception that they are a source of error is a fallacy. Here we re-derive the inverse solution of the 1-D advection-diffusion equation starting with an arbitrary surface boundary condition for temperature. In doing so, we demonstrate the frequency-independence of the solution, meaning any single frequency can be used in the frequency-domain solutions to estimate thermal diffusivity and 1-D fluid flux in streambeds, even if the forcing has multiple frequencies. This means that diurnal variations with asymmetric shapes, gradients in the mean temperature with depth, or `non-stationary' amplitude and frequency (or phase) do not actually represent violations of assumptions, and they should not cause errors in estimates when using one of the suite of existing solution methods derived based on a single frequency. Misattribution of errors to these issues constrains progress on solving real sources of error. Numerical and physical experiments are used to verify this conclusion and consider the utility of information at `non-standard' frequencies and multiple frequencies to augment the information derived from time series of temperature.

Magnetization reversal mechanism and coercivity enhancement in three-dimensional granular Nd-Fe-B magnets studied by micromagnetic simulations

NASA Astrophysics Data System (ADS)

Lee, Jae-Hyeok; Choe, Jinhyeok; Hwang, Shinwon; Kim, Sang-Koog

2017-08-01

We studied the mechanism of magnetization reversals and coercivity enhancements in three-dimensional (3D) granular Nd-Fe-B permanent magnets using finite-element micromagnetic simulations. The magnetization reversals in the hard magnets consisting of hard-phase grains separated by relatively soft-phase grain boundaries were analyzed with reference to the simulation results for the magnetic field-dependent distributions of the local magnetizations. The saturation magnetization of the grain-boundary phase plays a crucial role in the transition between nucleation- and domain-wall-propagation-controlled reversal processes. The smaller the saturation magnetization of the grain-boundary phase is, the more preferable is the nucleation-controlled process, which results in a larger coercivity. The exchange stiffness of the grain-boundary phase determines the preferred paths of domain-wall propagations, whether inward into grains or along the grain boundaries for relatively small and large exchange stiffness, respectively. However, the exchange stiffness of the grain-boundary phase alone does not significantly contribute to coercivity enhancement in cases where the size of hard-phase grains is much greater than the exchange length. This work paves the way for the design of high-performance hard magnets of large coercivity and maximum-energy-product values.

Electrode structure and methods of making same

DOEpatents

Ruud, James Anthony; Browall, Kenneth Walter; Rehg, Timothy Joseph; Renou, Stephane; Striker, Todd-Michael

2010-04-06

A method of making an electrode structure is provided. The method includes disposing an electrocatalytic material on an electrode, applying heat to the electrocatalytic material to form a volatile oxide of the electrocatalytic material, and applying a voltage to the electrode to reduce the volatile oxide to provide a number of nano-sized electrocatalytic particles on or proximate to a triple phase boundary, where the number of nano-sized electrocatalytic particles is greater on or proximate to the triple phase boundary than in an area that is not on or proximate to the triple phase boundary, and where the triple phase boundary is disposed on the electrode.

Unraveling the origins of electromechanical response in mixed-phase Bismuth Ferrite

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

Vasudevan, Rama K; Okatan, M. B.; Liu, Y. Y.

The origin of giant electromechanical response in a mixed-phase rhombohedral-tetragonal BiFeO3 thin film is probed using sub-coercive scanning probe microscopy based multiple-harmonic measurements. Significant contributions to the strain arise from a second-order harmonic response localized at the phase boundaries. Strain and dissipation data, backed by thermodynamic calculations suggest that the source of the enhanced electromechanical response is the motion of phase boundaries. These findings elucidate the key role of labile phase boundaries, both natural and artificial, in achieving thin films with giant electromechanical properties.

Inferring the effects of compositional boundary layers on crystal nucleation, growth textures, and mineral chemistry in natural volcanic tephras through submicron-resolution imaging

NASA Astrophysics Data System (ADS)

Zellmer, Georg; Sakamoto, Naoya; Hwang, Shyh-Lung; Matsuda, Nozomi; Iizuka, Yoshiyuki; Moebis, Anja; Yurimoto, Hisayoshi

2016-09-01

Crystal nucleation and growth are first order processes captured in volcanic rocks and record important information about the rates of magmatic processes and chemical evolution of magmas during their ascent and eruption. We have studied glass-rich andesitic tephras from the Central Plateau of the Southern Taupo Volcanic Zone by electron- and ion-microbeam imaging techniques to investigate down to sub-micrometre scale the potential effects of compositional boundary layers (CBLs) of melt around crystals on the nucleation and growth of mineral phases and the chemistry of crystal growth zones. We find that CBLs may influence the types of mineral phases nucleating and growing, and growth textures such as the development of swallowtails. The chemistry of the CBLs also has the capacity to trigger intermittent overgrowths of nanometre-scale bands of different phases in rapidly growing crystals, resulting in what we refer to as cryptic phase zoning. The existence of cryptic phase zoning has implications for the interpretation of microprobe compositional data, and the resulting inferences made on the conditions of magmatic evolution. Identification of cryptic phase zoning may in future lead to more accurate thermobarometric estimates and thus geospeedometric constraints. In future, a more quantitative characterization of CBL formation and its effects on crystal nucleation and growth may contribute to a better understanding of melt rheology and magma ascent processes at the onset of explosive volcanic eruptions, and will likely be of benefit to hazard mitigation efforts.

Electrodynamics of frictional interaction in tribolink “metal-polymer”

NASA Astrophysics Data System (ADS)

Volchenko, N. A.; Krasin, P. S.; Volchenko, A. I.; Zhuravlev, D. Yu

2018-03-01

The materials of the article illustrate the estimation of the energy loading of a metal friction element in the metal-electrolyte-polymer friction pair while forming various types of double electrical layers with the release of its thermal stabilization state. The energy loading of the contact spots of the microprotrusions of the friction pairs of braking devices depends to a large extent on the electrical, thermal and chemical fields that are of a different nature to an allowable temperature and are above the surface layers of the polymer patch. The latter is significantly influenced by double electrical layers that are formed at the boundaries of the phases “metal-metal”, “metal-polymer”, “metal-semiconductor”, “semiconductor-semiconductor” and “metal-electrolyte”. When two electrically conducting phases come into contact with electrothermomechanical friction, a difference in electrical potentials arises, which is due to the formation of a double electric layer, that is an asymmetric distribution of charged particles near the phase boundary. The structure of the double electric layer does not matter for the magnitude of the reversible electrode potential, which is determined by the variation of the isobaric-isothermal potential of the corresponding electrochemical reaction.

Sigma phases in an 11%Cr ferritic/martensitic steel with the normalized and tempered condition

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

Shen, Yinzhong, E-mail: shenyz@sjtu.edu.cn

At the present time 9–12% Cr ferritic/martensitic (F/M) steels with target operating temperatures up to 650 °C and higher are being developed in order to further increase thermal efficiency so as to reduce coal consumption and air pollution. An 11% Cr F/M steel was prepared by reference to the nominal chemical composition of SAVE12 steel with an expected maximum use temperature of 650 °C. The precipitate phases of the 11% Cr F/M steel normalized at 1050 °C for 0.5 h and tempered at 780 °C for 1.5 h were investigated by transmission electron microscopy. Except for Cr-/Cr-Fe-Co-rich M{sub 23}C{sub 6},more » Nb-/V-/Ta-Nb-/Nd-rich MX, Fe-rich M{sub 5}C{sub 2}, Co-rich M{sub 3}C and Fe-Co-rich M{sub 6}C phases previously identified in the steel, two types of sigma phases consisting of σ-FeCr and σ-FeCrW were found to be also present in the normalized and tempered steel. Identified σ-FeCr and σ-FeCrW phases have a simple tetragonal crystal structure with estimated lattice parameters a/c = 0.8713/0.4986 and 0.9119/0.5053 nm, respectively. The compositions in atomic pct of the observed sigma phases were determined to be approximately 50Fe-50Cr for the σ-FeCr, and 30Fe-55Cr-10W in addition to a small amount of Ta, Co and Mn for the σ-FeCrW. The sigma phases in the steel exhibit various blocky morphologies, and appear to have a smaller amount compared with the dominant phases Cr-rich M{sub 23}C{sub 6} and Nb-/V-/Ta-Nb-rich MX of the steel. The σ-FeCr phase in the steel was found to precipitate at δ-ferrite/martensite boundaries, suggesting that δ-ferrite may rapidly induce the formation of sigma phase at δ-ferrite/martensite boundaries in high Cr F/M steels containing δ-ferrite. The formation mechanism of sigma phases in the steel is also discussed in terms of the presence of δ-ferrite, M{sub 23}C{sub 6} precipitation, precipitation/dissolution of M{sub 2}X, and steel composition. - Highlights: •Precipitate phases in normalized and tempered 11%Cr F/M steel are presented in detail. • σ-FeCr phase, 50Fe50Cr (in at.%), was identified in normalized and tempered 11%Cr F/M steel. • σ-FeCrW phase, 30Fe55Cr10W (in at.%), was identified in normalized and tempered 11%Cr F/M steel. • Sigma phase in the 11%Cr F/M steel was found to precipitate at δ-ferrite/martensite boundaries. • δ-ferrite may rapidly induce the sigma phase formation at δ-ferrite/martensite boundaries.« less

Studies on the influence on flexural wall deformations on the development of the flow boundary layer

NASA Technical Reports Server (NTRS)

Schilz, W.

1978-01-01

Flexural wave-like deformations can be used to excite boundary layer waves which in turn lead to the onset of turbulence in the boundary layer. The investigations were performed with flow velocities between 5 m/s and 40 m/s. With four different flexural wave transmissions a frequency range from 0.2 kc/s to 1.5 kc/s and a phase velocity range from 3.5 m/s to 12 m/s was covered. The excitation of boundary layer waves becomes most effective if the phase velocity of the flexural wave coincides with the phase velocity region of unstable boundary layer waves.

Defects, Entropy, and the Stabilization of Alternative Phase Boundary Orientations in Battery Electrode Particles

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

Heo, Tae Wook; Tang, Ming; Chen, Long-Qing

Using a novel statistical approach that efficiently explores the space of possible defect configurations, our present study investigates the chemomechanical coupling between interfacial structural defects and phase boundary alignments within phase-separating electrode particles. Applied to the battery cathode material Li XFePO 4 as an example, the theoretical analysis reveals that small, defect-induced deviations from an ideal interface can lead to dramatic shifts in the orientations of phase boundaries between Li-rich and Li-lean phases, stabilizing otherwise unfavorable orientations. Significantly, this stabilization arises predominantly from configurational entropic factors associated with the presence of the interfacial defects rather than from absolute energetic considerations.more » The specific entropic factors pertain to the diversity of defect configurations and their contributions to rotational/orientational rigidity of phase boundaries. Comparison of the predictions with experimental observations indicates that the additional entropy contributions indeed play a dominant role under actual cycling conditions, leading to the conclusion that interfacial defects must be considered when analyzing the stability and evolution kinetics of the internal phase microstructure of strongly phase-separating systems. Possible implications for tuning the kinetics of (de)lithiation based on selective defect incorporation are discussed. Ultimately, this understanding can be generalized to the chemomechanics of other defective solid phase boundaries.« less

Defects, Entropy, and the Stabilization of Alternative Phase Boundary Orientations in Battery Electrode Particles

DOE PAGES

Heo, Tae Wook; Tang, Ming; Chen, Long-Qing; ...

2016-01-04

Using a novel statistical approach that efficiently explores the space of possible defect configurations, our present study investigates the chemomechanical coupling between interfacial structural defects and phase boundary alignments within phase-separating electrode particles. Applied to the battery cathode material Li XFePO 4 as an example, the theoretical analysis reveals that small, defect-induced deviations from an ideal interface can lead to dramatic shifts in the orientations of phase boundaries between Li-rich and Li-lean phases, stabilizing otherwise unfavorable orientations. Significantly, this stabilization arises predominantly from configurational entropic factors associated with the presence of the interfacial defects rather than from absolute energetic considerations.more » The specific entropic factors pertain to the diversity of defect configurations and their contributions to rotational/orientational rigidity of phase boundaries. Comparison of the predictions with experimental observations indicates that the additional entropy contributions indeed play a dominant role under actual cycling conditions, leading to the conclusion that interfacial defects must be considered when analyzing the stability and evolution kinetics of the internal phase microstructure of strongly phase-separating systems. Possible implications for tuning the kinetics of (de)lithiation based on selective defect incorporation are discussed. Ultimately, this understanding can be generalized to the chemomechanics of other defective solid phase boundaries.« less

A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson-Boltzmann electrostatics

NASA Astrophysics Data System (ADS)

Sun, Hui; Wen, Jiayi; Zhao, Yanxiang; Li, Bo; McCammon, J. Andrew

2015-12-01

Dielectric boundary based implicit-solvent models provide efficient descriptions of coarse-grained effects, particularly the electrostatic effect, of aqueous solvent. Recent years have seen the initial success of a new such model, variational implicit-solvent model (VISM) [Dzubiella, Swanson, and McCammon Phys. Rev. Lett. 96, 087802 (2006) and J. Chem. Phys. 124, 084905 (2006)], in capturing multiple dry and wet hydration states, describing the subtle electrostatic effect in hydrophobic interactions, and providing qualitatively good estimates of solvation free energies. Here, we develop a phase-field VISM to the solvation of charged molecules in aqueous solvent to include more flexibility. In this approach, a stable equilibrium molecular system is described by a phase field that takes one constant value in the solute region and a different constant value in the solvent region, and smoothly changes its value on a thin transition layer representing a smeared solute-solvent interface or dielectric boundary. Such a phase field minimizes an effective solvation free-energy functional that consists of the solute-solvent interfacial energy, solute-solvent van der Waals interaction energy, and electrostatic free energy described by the Poisson-Boltzmann theory. We apply our model and methods to the solvation of single ions, two parallel plates, and protein complexes BphC and p53/MDM2 to demonstrate the capability and efficiency of our approach at different levels. With a diffuse dielectric boundary, our new approach can describe the dielectric asymmetry in the solute-solvent interfacial region. Our theory is developed based on rigorous mathematical studies and is also connected to the Lum-Chandler-Weeks theory (1999). We discuss these connections and possible extensions of our theory and methods.

A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson-Boltzmann electrostatics.

PubMed

Sun, Hui; Wen, Jiayi; Zhao, Yanxiang; Li, Bo; McCammon, J Andrew

2015-12-28

Dielectric boundary based implicit-solvent models provide efficient descriptions of coarse-grained effects, particularly the electrostatic effect, of aqueous solvent. Recent years have seen the initial success of a new such model, variational implicit-solvent model (VISM) [Dzubiella, Swanson, and McCammon Phys. Rev. Lett. 96, 087802 (2006) and J. Chem. Phys. 124, 084905 (2006)], in capturing multiple dry and wet hydration states, describing the subtle electrostatic effect in hydrophobic interactions, and providing qualitatively good estimates of solvation free energies. Here, we develop a phase-field VISM to the solvation of charged molecules in aqueous solvent to include more flexibility. In this approach, a stable equilibrium molecular system is described by a phase field that takes one constant value in the solute region and a different constant value in the solvent region, and smoothly changes its value on a thin transition layer representing a smeared solute-solvent interface or dielectric boundary. Such a phase field minimizes an effective solvation free-energy functional that consists of the solute-solvent interfacial energy, solute-solvent van der Waals interaction energy, and electrostatic free energy described by the Poisson-Boltzmann theory. We apply our model and methods to the solvation of single ions, two parallel plates, and protein complexes BphC and p53/MDM2 to demonstrate the capability and efficiency of our approach at different levels. With a diffuse dielectric boundary, our new approach can describe the dielectric asymmetry in the solute-solvent interfacial region. Our theory is developed based on rigorous mathematical studies and is also connected to the Lum-Chandler-Weeks theory (1999). We discuss these connections and possible extensions of our theory and methods.

A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson–Boltzmann electrostatics

PubMed Central

Sun, Hui; Wen, Jiayi; Zhao, Yanxiang; Li, Bo; McCammon, J. Andrew

2015-01-01

Dielectric boundary based implicit-solvent models provide efficient descriptions of coarse-grained effects, particularly the electrostatic effect, of aqueous solvent. Recent years have seen the initial success of a new such model, variational implicit-solvent model (VISM) [Dzubiella, Swanson, and McCammon Phys. Rev. Lett. 96, 087802 (2006) and J. Chem. Phys. 124, 084905 (2006)], in capturing multiple dry and wet hydration states, describing the subtle electrostatic effect in hydrophobic interactions, and providing qualitatively good estimates of solvation free energies. Here, we develop a phase-field VISM to the solvation of charged molecules in aqueous solvent to include more flexibility. In this approach, a stable equilibrium molecular system is described by a phase field that takes one constant value in the solute region and a different constant value in the solvent region, and smoothly changes its value on a thin transition layer representing a smeared solute-solvent interface or dielectric boundary. Such a phase field minimizes an effective solvation free-energy functional that consists of the solute-solvent interfacial energy, solute-solvent van der Waals interaction energy, and electrostatic free energy described by the Poisson–Boltzmann theory. We apply our model and methods to the solvation of single ions, two parallel plates, and protein complexes BphC and p53/MDM2 to demonstrate the capability and efficiency of our approach at different levels. With a diffuse dielectric boundary, our new approach can describe the dielectric asymmetry in the solute-solvent interfacial region. Our theory is developed based on rigorous mathematical studies and is also connected to the Lum–Chandler–Weeks theory (1999). We discuss these connections and possible extensions of our theory and methods. PMID:26723595

Two-phase convective CO 2 dissolution in saline aquifers

DOE PAGES

Martinez, Mario J.; Hesse, Marc A.

2016-01-30

Geologic carbon storage in deep saline aquifers is a promising technology for reducing anthropogenic emissions into the atmosphere. Dissolution of injected CO 2 into resident brines is one of the primary trapping mechanisms generally considered necessary to provide long-term storage security. Given that diffusion of CO 2 in brine is woefully slow, convective dissolution, driven by a small increase in brine density with CO 2 saturation, is considered to be the primary mechanism of dissolution trapping. Previous studies of convective dissolution have typically only considered the convective process in the single-phase region below the capillary transition zone and have eithermore » ignored the overlying two-phase region where dissolution actually takes place or replaced it with a virtual region with reduced or enhanced constant permeability. Our objective is to improve estimates of the long-term dissolution flux of CO 2 into brine by including the capillary transition zone in two-phase model simulations. In the fully two-phase model, there is a capillary transition zone above the brine-saturated region over which the brine saturation decreases with increasing elevation. Our two-phase simulations show that the dissolution flux obtained by assuming a brine-saturated, single-phase porous region with a closed upper boundary is recovered in the limit of vanishing entry pressure and capillary transition zone. For typical finite entry pressures and capillary transition zone, however, convection currents penetrate into the two-phase region. As a result, this removes the mass transfer limitation of the diffusive boundary layer and enhances the convective dissolution flux of CO 2 more than 3 times above the rate assuming single-phase conditions.« less

Modeling of potential TAE-induced beam ion loss from NSTX-U plasmas

NASA Astrophysics Data System (ADS)

Darrow, Douglass; Fredrickson, Eric; Podesta, Mario; White, Roscoe; Liu, Deyong

2015-11-01

NSTX-U will add three additional neutral beam sources, whose tangency radii of 1.1, 1.2, and 1.3 m, are significantly larger than the 0.5, 0.6, and 0.7 m tangency radii of the neutral beams previously used in NSTX. These latter beams will also be used in NSTX-U. Here, we attempt to formulate an estimate of the propensity of the beam ions from all the various sources to be lost under a range of NSTX-U plasma conditions. This estimation is based upon TRANSP calculations of beam ion deposition in phase space, and the location of the FLR-corrected loss boundary in that phase space. Since TAEs were a prominent driver of beam ion loss in NSTX, we incorporate their effects through the following process: NOVA modeling of TAEs in the anticipated NSTX-U plasma conditions gives the mode numbers, frequencies, and mode structures that are likely to occur. Using this information as inputs to the guiding center ORBIT code, it is possible to find resonant surfaces in the same phase space along which beam ions would be able to diffuse under the influence of the modes. The degree to which these resonant surfaces intersect both the beam deposition volume and the orbit loss boundary should then give a sense of the propensity of that beam population to be lost from the plasma. Work supported by US DOE contracts DE-AC0209CH11466, DE-FG02-06ER54867, and DE-FG03-02ER54681.

Optical veiling, disk accretion, and the evolution of T Tauri stars

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

Hartmann, L.W.; Kenyon, S.J.

1990-01-01

High-resolution spectra of 31 K7-M1 T Tauri stars (TTs) in the Taurus-Auriga molecular cloud demonstrate that most of these objects exhibit substantial excess emission at 5200 A. Extrapolations of these data consistent with low-resolution spectrophotometry indicate that the extra emission is comparable to the stellar luminosity in many cases. If this continuum emission arises in the boundary layers of accreting disks, more than about 30 percent of all TTs may be accreting material at a rate which is sufficiently rapid to alter their evolution from standard Hayashi tracks. It is estimated that roughly 10 percent of the final stellar massmore » is accreted in the TT phase. This amount of material is comparable to the minimum gravitationally unstable disk mass estimated by Larson and it is speculated that the TT phase represents the final stages of disk accretion driven by gravitational instabilities. 40 refs.« less

The interface character distribution of cold-rolled and annealed duplex stainless steel

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

Fang, Xiaoying, E-mail: fxy@sdut.edu.cn

The interface character distributions (ICDs) of cold-rolled and annealed duplex stainless steel specimens, previously solid-solution-heated (SHT) at 1573 K and 1323 K, are investigated using electron backscatter diffraction (EBSD) and five-parameter analysis (FPA). For the δ-ferrite phase, high concentrations of low angle grain boundaries (LAGBs) are developed, and the boundary planes are predominantly oriented on (111). High angle grain boundaries (HAGBs) with misorientations ranging from 50{sup o} to 60° are mostly pure tilt boundaries, and the boundary planes are primarily located on (112). For the austenite phase, very high density of coherent twin boundaries are introduced, implying that the boundarymore » planes are exactly oriented on (111). The phase boundary character distribution (PBPD) appears to be connected with the K-S and N-W orientation relationships (ORs) terminating on (110) {sub F}‖(111) {sub A} and (110){sub F}‖(hkl){sub A}, respectively. - Highlights: •Five-parameter analysis was used to determine interface character distribution. •ICD results of statistical meaning were achieved. •Initial microstructure has a significant effect on ICD. •Low and high angle GBs in δ phase prefer in (111) and (112) planes, respectively. •K-S phase boundaries terminate on (110){sub F}‖(111){sub A} while N-W ones on (110){sub F}‖(hkl){sub A}.« less

Regional and global climate for the mid-Pliocene using CCSM4 with PlioMIP2 boundary conditions

NASA Astrophysics Data System (ADS)

Chandan, D.; Peltier, W. R.

2016-12-01

The mid-Pliocene ( 3 Mya) hothouse continues to intrigue the climate community regarding the nature of the feedback mechanisms that could have amplified the warming that is expected from a modest concentration of atmospheric carbon-dioxide ( 300-400 ppmv). The Pliocene Model Intercomparison Project (PlioMIP) was created to help understand the mid-Pliocene climate through intercomparison between different climate models. The results from the first phase of this program revealed substantial variations between participating models and the pervasive inability of the models to capture the SST anomalies over equatorial upwelling regions and at high-latitude sites in the North Atlantic. The second phase, PlioMIP2 (Haywood et al., 2016), which has only recently begun, considerably revises the boundary conditions that are to be used with coupled-climate models, especially in high-latitude regions. The set of PlioMIP2 experiments which have been proposed will facilitate the attribution of the total warming to that arising from changes in (i) atmospheric CO2, (ii) orography and (iii) sea-ice extent, using the factor analysis methodology of Lunt et al., 2012. We have performed several very long, high-quality climate simulations from the PlioMIP2 set using the fully-coupled CCSM4/CESM1 model. We present our analysis of the mid-Pliocene climate based upon the results of these simulations and draw special attention to the extent of polar-amplification, the temperature pattern in the equatorial pacific and the existence and character of ENSO. In order to assess the regional and global impact of the new boundary conditions, our results are compared to the CCSM4 climate obtained using boundary conditions from the first phase of PlioMIP (Rosenbloom et al., 2013), to the PRISM3 (Dowsett et al., 2010) estimates for mid-Pliocene SST (relevant for the time-interval of study in PlioMIP), and to our own compilation of SST estimates for the time interval which is the focus in PlioMIP2. Dowsett et al., 2010, Stratigraphy (7) 123-129Haywood et al., 2016, CP (12) 663-675Lunt et al., 2012, EPSL (321-322) 128-138Rosenbloom et al., 2013, GMD (6) 549-561

An approach for automated fault diagnosis based on a fuzzy decision tree and boundary analysis of a reconstructed phase space.

PubMed

Aydin, Ilhan; Karakose, Mehmet; Akin, Erhan

2014-03-01

Although reconstructed phase space is one of the most powerful methods for analyzing a time series, it can fail in fault diagnosis of an induction motor when the appropriate pre-processing is not performed. Therefore, boundary analysis based a new feature extraction method in phase space is proposed for diagnosis of induction motor faults. The proposed approach requires the measurement of one phase current signal to construct the phase space representation. Each phase space is converted into an image, and the boundary of each image is extracted by a boundary detection algorithm. A fuzzy decision tree has been designed to detect broken rotor bars and broken connector faults. The results indicate that the proposed approach has a higher recognition rate than other methods on the same dataset. © 2013 ISA Published by ISA All rights reserved.

Grain boundary engineering to control the discontinuous precipitation in multicomponent U10Mo alloy

DOE PAGES

Devaraj, Arun; Kovarik, Libor; Kautz, Elizabeth; ...

2018-03-30

Here, we demonstrate here that locally stabilized structure and compositional segregation at grain boundaries in a complex multicomponent alloy can be modified using high temperature homogenization treatment to influence the kinetics of phase transformations initiating from grain boundaries during subsequent low temperature annealing. Using aberration-corrected scanning transmission electron microscopy and atom probe tomography of a model multicomponent metallic alloy —uranium-10 wt% molybdenum (U-10Mo) a nuclear fuel, that is highly relevant to worldwide nuclear non-proliferation efforts, we demonstrate the ability to change the structure and compositional segregation at grain boundary, which then controls the subsequent discontinuous precipitation kinetics during sub-eutectoid annealing.more » A change in grain boundary from one characterized by segregation of Mo and impurities at grain boundary to a phase boundary with a distinct U 2MoSi 2C wetting phase precipitates introducing Ni and Al rich interphase complexions caused a pronounced reduction in area fraction of subsequent discontinuous precipitation. The broader implication of this work is in highlighting the role of grain boundary structure and composition in metallic alloys on dictating the fate of grain boundary initiated phase transformations like discontinuous precipitation or cellular transformation. This work highlights a new pathway to tune the grain boundary structure and composition to tailor the final microstructure of multicomponent metallic alloys.« less

Grain boundary engineering to control the discontinuous precipitation in multicomponent U10Mo alloy

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

Devaraj, Arun; Kovarik, Libor; Kautz, Elizabeth

Here, we demonstrate here that locally stabilized structure and compositional segregation at grain boundaries in a complex multicomponent alloy can be modified using high temperature homogenization treatment to influence the kinetics of phase transformations initiating from grain boundaries during subsequent low temperature annealing. Using aberration-corrected scanning transmission electron microscopy and atom probe tomography of a model multicomponent metallic alloy —uranium-10 wt% molybdenum (U-10Mo) a nuclear fuel, that is highly relevant to worldwide nuclear non-proliferation efforts, we demonstrate the ability to change the structure and compositional segregation at grain boundary, which then controls the subsequent discontinuous precipitation kinetics during sub-eutectoid annealing.more » A change in grain boundary from one characterized by segregation of Mo and impurities at grain boundary to a phase boundary with a distinct U 2MoSi 2C wetting phase precipitates introducing Ni and Al rich interphase complexions caused a pronounced reduction in area fraction of subsequent discontinuous precipitation. The broader implication of this work is in highlighting the role of grain boundary structure and composition in metallic alloys on dictating the fate of grain boundary initiated phase transformations like discontinuous precipitation or cellular transformation. This work highlights a new pathway to tune the grain boundary structure and composition to tailor the final microstructure of multicomponent metallic alloys.« less

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

Frolov, T.; Setyawan, W.; Kurtz, R. J.

We report a computational discovery of novel grain boundary structures and multiple grain boundary phases in elemental bcc tungsten. While grain boundary structures created by the - surface method as a union of two perfect half crystals have been studied extensively, it is known that the method has limitations and does not always predict the correct ground states. Here, we use a newly developed computational tool, based on evolutionary algorithms, to perform a grand-canonical search of high-angle symmetric tilt boundary in tungsten, and we find new ground states and multiple phases that cannot be described using the conventional structural unitmore » model. We use MD simulations to demonstrate that the new structures can coexist at finite temperature in a closed system, confirming these are examples of different GB phases. The new ground state is confirmed by first-principles calculations.Evolutionary grand-canonical search predicts novel grain boundary structures and multiple grain boundary phases in elemental body-centered cubic (bcc) metals represented by tungsten, tantalum and molybdenum.« less

Domain wall and interphase boundary motion in (1−x)Bi(Mg{sub 0.5}Ti{sub 0.5})O{sub 3}–xPbTiO{sub 3} near the morphotropic phase boundary

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

Tutuncu, Goknur; Chen, Jun; Fan, Longlong

Electric field-induced changes in the domain wall motion of (1−x)Bi(Mg{sub 0.5}Ti{sub 0.5})O{sub 3}–xPbTiO{sub 3} (BMT-xPT) near the morphotropic phase boundary (MPB) where x = 0.37 (BMT-37PT) and x = 0.38 (BMT-38PT), are studied by means of synchrotron x-ray diffraction. Through Rietveld analysis and profile fitting, a mixture of coexisting monoclinic (Cm) and tetragonal (P4mm) phases is identified at room temperature. Extrinsic contributions to the property coefficients are evident from electric-field-induced domain wall motion in both the tetragonal and monoclinic phases, as well as through the interphase boundary motion between the two phases. Domain wall motion in the tetragonal and monoclinic phases for BMT-37PT ismore » larger than that of BMT-38PT, possibly due to this composition's closer proximity to the MPB. Increased interphase boundary motion was also observed in BMT-37PT. Lattice strain, which is a function of both intrinsic piezoelectric strain and elastic interactions of the grains (the latter originating from domain wall and interphase boundary motion), is similar for the respective tetragonal and monoclinic phases.« less

The chromium doping of Ni{sub 3}Fe alloy and restructuring of grain boundary ensemble at the phase transition A1→L1{sub 2}

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

Perevalova, Olga; Konovalova, Elena, E-mail: knv123@yandex.ru; Koneva, Nina

2016-01-15

The grain boundary structure of the Ni{sub 3}(Fe,Cr) alloy is studied in states with a short and long-range order formed at the phase transition A1→L1{sub 2}. It is found that the new boundaries of general and special types are formed during an ordering annealing, wherein the special boundaries share increases. The spectrum of special boundaries is changed due to decreasing of ∑3 boundary share. It leads to weakening of the texture in the alloy with atomic long-range order. The features of change of the special boundaries spectrum at the phase transition A1→L1{sub 2} in the Ni{sub 3}(Fe,Cr) alloy are determinedmore » by decreasing of the stacking fault energy and the atomic mean square displacement at the chromium doping.« less

Modeling the Effects of Beam Size and Flaw Morphology on Ultrasonic Pulse/Echo Sizing of Delaminations in Carbon Composites

NASA Technical Reports Server (NTRS)

Margetan, Frank J.; Leckey, Cara A.; Barnard, Dan

2012-01-01

The size and shape of a delamination in a multi-layered structure can be estimated in various ways from an ultrasonic pulse/echo image. For example the -6dB contours of measured response provide one simple estimate of the boundary. More sophisticated approaches can be imagined where one adjusts the proposed boundary to bring measured and predicted UT images into optimal agreement. Such approaches require suitable models of the inspection process. In this paper we explore issues pertaining to model-based size estimation for delaminations in carbon fiber reinforced laminates. In particular we consider the influence on sizing when the delamination is non-planar or partially transmitting in certain regions. Two models for predicting broadband sonic time-domain responses are considered: (1) a fast "simple" model using paraxial beam expansions and Kirchhoff and phase-screen approximations; and (2) the more exact (but computationally intensive) 3D elastodynamic finite integration technique (EFIT). Model-to-model and model-to experiment comparisons are made for delaminations in uniaxial composite plates, and the simple model is then used to critique the -6dB rule for delamination sizing.

Domain wall and interphase boundary motion in (1-x)Bi(Mg 0.5 Ti 0.5 )O 3 –xPbTiO 3 near the morphotropic phase boundary

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

Tutuncu, Goknur; Chen, Jun; Fan, Longlong

Electric field-induced changes in the domain wall motion of (1-x)Bi(Mg 0.5Ti 0.5)O 3–xPbTiO 3 (BMT-xPT) near the morphotropic phase boundary (MPB) where x = 0.37 (BMT-37PT) and x =0.38 (BMT-38PT), are studied by means of synchrotron x-ray diffraction. Through Rietveld analysis and profile fitting, a mixture of coexisting monoclinic (Cm) and tetragonal (P4mm) phases is identified at room temperature. Extrinsic contributions to the property coefficients are evident from electric-field-induced domain wall motion in both the tetragonal and monoclinic phases, as well as through the interphase boundary motion between the two phases. Domain wall motion in the tetragonal and monoclinic phasesmore » for BMT-37PT is larger than that of BMT-38PT, possibly due to this composition's closer proximity to the MPB. Increased interphase boundary motion was also observed in BMT-37PT. Lattice strain, which is a function of both intrinsic piezoelectric strain and elastic interactions of the grains (the latter originating from domain wall and interphase boundary motion), is similar for the respective tetragonal and monoclinic phases.« less

Planetary Boundary Layer Patterns, Height Variability and their Controls over the Indian Subcontinent with respect to Monsoon

NASA Astrophysics Data System (ADS)

Sathyanadh, A.; Karipot, A.; Prabhakaran, T.

2016-12-01

Planetary boundary layer (PBL) height and its controlling factors undergo large variations at different spatio-temporal scales over land regions. In the present study, Modern Era Retrospective analysis for Research and Applications (MERRA) data products are used to investigate variations of PBL height and its controls in relation to different phases of Indian monsoon. MERRA PBL height validations carried out against those estimated from radiosonde and Global Positioning System Radio Occultation atmospheric profiles revealed fairly good agreement. Different PBL patterns are identified in terms of maximum height, its time of occurrence and growth rate, and they vary with respect to geographical locations, terrain characteristics and monsoon circulation. The pre-monsoon boundary layers are the deepest over the region, often exceeding 4 km and grow at a rate of approximately 400 m hr-1. Large nocturnal BL depths, possibly related to weakly convective residual layers, are another feature noted during dry conditions. Monsoon BLs are generally shallower, except where rainfall is scanty. The break-monsoon periods have slightly deeper BLs than the active monsoon phase. The controlling factors for the observed boundary layer behaviour are investigated using supplementary MERRA datasets. Evaporative fraction is found to have dominant control on the PBL height varying with seasons and regions. The characteristics and controls of wet and dry boundary layer regimes over inland and coastal locations are different. The fractional diffusion (ratio of non-local and total diffusion) coefficient analyses indicated that enhanced entrainment during monsoon contributes to reduction in PBLH unlike in the dry period. The relationship between controls and PBLH are better defined over inland than coastal regions. The wavelet cross spectral analysis revealed temporal variations in dominant contributions from the controlling factors at different periodicities during the course of the year.

Development of mapped stress-field boundary conditions based on a Hill-type muscle model.

PubMed

Cardiff, P; Karač, A; FitzPatrick, D; Flavin, R; Ivanković, A

2014-09-01

Forces generated in the muscles and tendons actuate the movement of the skeleton. Accurate estimation and application of these musculotendon forces in a continuum model is not a trivial matter. Frequently, musculotendon attachments are approximated as point forces; however, accurate estimation of local mechanics requires a more realistic application of musculotendon forces. This paper describes the development of mapped Hill-type muscle models as boundary conditions for a finite volume model of the hip joint, where the calculated muscle fibres map continuously between attachment sites. The applied muscle forces are calculated using active Hill-type models, where input electromyography signals are determined from gait analysis. Realistic muscle attachment sites are determined directly from tomography images. The mapped muscle boundary conditions, implemented in a finite volume structural OpenFOAM (ESI-OpenCFD, Bracknell, UK) solver, are employed to simulate the mid-stance phase of gait using a patient-specific natural hip joint, and a comparison is performed with the standard point load muscle approach. It is concluded that physiological joint loading is not accurately represented by simplistic muscle point loading conditions; however, when contact pressures are of sole interest, simplifying assumptions with regard to muscular forces may be valid. Copyright © 2014 John Wiley & Sons, Ltd.

Interphase boundary misorientation in mantle rocks

NASA Astrophysics Data System (ADS)

Morales, L. F.; Mainprice, D.; Boudier, F. I.

2017-12-01

Interphase boundaries are planar defects that separate two different phases, which may have different compositions and/or crystalline structures. Depending on the degree of atomic structure matching between the two adjacent phases, the interphase boundaries can be classified in coherent, semicoherent and incoherent phase boundaries. Here we present the recent developments of interphase misorientation boundary analyses calculated from EBSD data in an olivine-antigorite schist from the Val Malenco (Italy) and a spinel lherzolite from the Horoman peridotite complex (Japan). The antigorite schist is strongly foliated and contains about 78% antigorite and 22% olivine, with minor amounts (<1%) of magnetite and chlorite. The antigorite CPO is characterized by a point maxima of poles to (100) parallel to lineation and poles to (001) to the foliation normal. Phase transformation relationships between olivine and antigorite are evident in phase boundary misorientation analysis, (100)ol||(001)atg being more frequent than [001]ol||[010]atg. From the interphase misorientation analyses, we have described two new phase transformation relationships between olivine and antigorite. The studied lherzolite contain 70% olivine, 15% enstatite, 13% diopside and 2% spinel. It has a porphyroclastic texture materialized by enstatite and olivine in a matrix of olivine. Both enstatite, diopside and spinel occur along discontinuous bands parallel to the foliation of the sample. Olivine bulk CPO can be described as a fibre-[100], while both enstatite and diopside show a (001) fibre texture. Interphase misorientation angle distribution between olivine-enstatite and olivine-diopside follow approximately the distribution expected for uniform texture, with some minor (but important) differences at high angle phase boundaries, particularly for olivine-diopside. The pair angle-misorientation axes for the olivine-enstatite show a relatively uniform distribution for different misorientation angle intervals. On the other hand there is a clear concentration of misorientation axes parallel to [010] of olivine in the case of olivine-diopside phase boundaries, possibly related to melt percolation. These differences demonstrate the potential use of interphase misorientation for the study of material processes in rocks.

Conductimetric determination of decomposition of silicate melts

NASA Technical Reports Server (NTRS)

Kroeger, C.; Lieck, K.

1986-01-01

A description of a procedure is given to detect decomposition of silicate systems in the liquid state by conductivity measurements. Onset of decomposition can be determined from the temperature curves of resistances measured on two pairs of electrodes, one above the other. Degree of decomposition can be estimated from temperature and concentration dependency of conductivity of phase boundaries. This procedure was tested with systems PbO-B2O3 and PbO-B2O3-SiO2.

A transfer function type of simplified electrochemical model with modified boundary conditions and Padé approximation for Li-ion battery: Part 2. Modeling and parameter estimation

NASA Astrophysics Data System (ADS)

Yuan, Shifei; Jiang, Lei; Yin, Chengliang; Wu, Hongjie; Zhang, Xi

2017-06-01

The electrochemistry-based battery model can provide physics-meaningful knowledge about the lithium-ion battery system with extensive computation burdens. To motivate the development of reduced order battery model, three major contributions have been made throughout this paper: (1) the transfer function type of simplified electrochemical model is proposed to address the current-voltage relationship with Padé approximation method and modified boundary conditions for electrolyte diffusion equations. The model performance has been verified under pulse charge/discharge and dynamic stress test (DST) profiles with the standard derivation less than 0.021 V and the runtime 50 times faster. (2) the parametric relationship between the equivalent circuit model and simplified electrochemical model has been established, which will enhance the comprehension level of two models with more in-depth physical significance and provide new methods for electrochemical model parameter estimation. (3) four simplified electrochemical model parameters: equivalent resistance Req, effective diffusion coefficient in electrolyte phase Deeff, electrolyte phase volume fraction ε and open circuit voltage (OCV), have been identified by the recursive least square (RLS) algorithm with the modified DST profiles under 45, 25 and 0 °C. The simulation results indicate that the proposed model coupled with RLS algorithm can achieve high accuracy for electrochemical parameter identification in dynamic scenarios.

Extremal Optimization for estimation of the error threshold in topological subsystem codes at T = 0

NASA Astrophysics Data System (ADS)

Millán-Otoya, Jorge E.; Boettcher, Stefan

2014-03-01

Quantum decoherence is a problem that arises in implementations of quantum computing proposals. Topological subsystem codes (TSC) have been suggested as a way to overcome decoherence. These offer a higher optimal error tolerance when compared to typical error-correcting algorithms. A TSC has been translated into a planar Ising spin-glass with constrained bimodal three-spin couplings. This spin-glass has been considered at finite temperature to determine the phase boundary between the unstable phase and the stable phase, where error recovery is possible.[1] We approach the study of the error threshold problem by exploring ground states of this spin-glass with the Extremal Optimization algorithm (EO).[2] EO has proven to be a effective heuristic to explore ground state configurations of glassy spin-systems.[3

Thermal Convection in a Creeping Solid With Melting/Freezing Interfaces at Either or Both Boundaries

NASA Astrophysics Data System (ADS)

Labrosse, S.; Morison, A.; Deguen, R.; Alboussiere, T.; Tackley, P. J.; Agrusta, R.

2017-12-01

Thermal convection in the solid mantles of the Earth, other terrestrial planets and icy satellites sets in while it is still crystallising from a liquid layer (see abstract by Morison et al, this conference). The existence of an ocean (water or magma) either or both below and above the solid mantle modifies the conditions applying at the boundary since matter can flow through it by changing phase. Adapting the boundary conditions developed for the dynamics of the inner core by Deguen et al (GJI 2013) to the plane layer and the spherical shell, we solve the linear stability problem and obtain weakly non-linear solutions as well as direct numerical solutions in both geometries, with a liquid-solid phase change at either or both boundaries. The phase change boundary condition is controlled by a dimensionless number, Φ , which when small, allows easy flow through the boundary while the classical non-penetrating boundary condition is recovered for large values. If both boundaries have a phase change, the preferred wavelength of the flow is large, i.e. λ ∝Φ -1/2 in a plane layer and degree 1 in a spherical shell, and the critical Rayleigh number is of order Φ . The heat transfer efficiency, as measured by the dependence of the Nusselt number on the Rayleigh number also increases indefinitely for decreasing values of Φ . If only one boundary has a phase change condition, the critical wavelength is increased by about a factor 2 and the critical Rayleigh number is decreased by about a factor 4. The dynamics is controlled entirely by the boundary layer opposite to the phase change interface and the geometry of the flow. This model provides a natural explanation for the emergence of degree 1 convection in thin ice layers and implies a style of early mantle dynamics on Earth very different from what is classically envisioned.

Temporal and Spatial Evolution Characteristics of Disturbance Wave in a Hypersonic Boundary Layer due to Single-Frequency Entropy Disturbance

PubMed Central

Lv, Hongqing; Shi, Jianqiang

2014-01-01

By using a high-order accurate finite difference scheme, direct numerical simulation of hypersonic flow over an 8° half-wedge-angle blunt wedge under freestream single-frequency entropy disturbance is conducted; the generation and the temporal and spatial nonlinear evolution of boundary layer disturbance waves are investigated. Results show that, under the freestream single-frequency entropy disturbance, the entropy state of boundary layer is changed sharply and the disturbance waves within a certain frequency range are induced in the boundary layer. Furthermore, the amplitudes of disturbance waves in the period phase are larger than that in the response phase and ablation phase and the frequency range in the boundary layer in the period phase is narrower than that in these two phases. In addition, the mode competition, dominant mode transformation, and disturbance energy transfer exist among different modes both in temporal and in spatial evolution. The mode competition changes the characteristics of nonlinear evolution of the unstable waves in the boundary layer. The development of the most unstable mode along streamwise relies more on the motivation of disturbance waves in the upstream than that of other modes on this motivation. PMID:25143983

Temporal and spatial evolution characteristics of disturbance wave in a hypersonic boundary layer due to single-frequency entropy disturbance.

PubMed

Wang, Zhenqing; Tang, Xiaojun; Lv, Hongqing; Shi, Jianqiang

2014-01-01

By using a high-order accurate finite difference scheme, direct numerical simulation of hypersonic flow over an 8° half-wedge-angle blunt wedge under freestream single-frequency entropy disturbance is conducted; the generation and the temporal and spatial nonlinear evolution of boundary layer disturbance waves are investigated. Results show that, under the freestream single-frequency entropy disturbance, the entropy state of boundary layer is changed sharply and the disturbance waves within a certain frequency range are induced in the boundary layer. Furthermore, the amplitudes of disturbance waves in the period phase are larger than that in the response phase and ablation phase and the frequency range in the boundary layer in the period phase is narrower than that in these two phases. In addition, the mode competition, dominant mode transformation, and disturbance energy transfer exist among different modes both in temporal and in spatial evolution. The mode competition changes the characteristics of nonlinear evolution of the unstable waves in the boundary layer. The development of the most unstable mode along streamwise relies more on the motivation of disturbance waves in the upstream than that of other modes on this motivation.

Distribution of marine boundary layer ammonia over the Atlantic and Indian Oceans during the Aerosols99 cruise

NASA Astrophysics Data System (ADS)

Norman, Michael; Leck, Caroline

2005-08-01

Over the Atlantic Ocean and southern Indian Ocean an overall large variation in gas phase ammonia was encountered with peak values occurring in regions heavily influenced by the smoke plume from biomass combustion and continental sources on the African continent. Concentrations were typically in the range 7 to 22 nmol m-3. Over the remote clean South Atlantic and Indian Oceans, median gas phase ammonia concentrations ranged between 1.1 and 3.2 nmol m-3, but were occasionally as high as 8.1 nmol m-3 or as low as 0.3 nmol m-3. It was reasonable to assume that the ocean was a net emitter of ammonia to the atmosphere and thus responsible for the ammonia levels measured. An average residence time of the order of a few hours was estimated. One implication of such a rapid removal of ammonia is that it prevented attainment of equilibrium between the gas phase and particulate phase ammonium. In areas under the influence of African biomass burning or dust, however, the particulate phase ammonium was concluded to be in equilibrium with the gas phase ammonia. The removal of atmospheric ammonia during the time of travel from the African continent to the position of the ship was estimated using a simplified Lagrangian approach. A response or residence time of 20 to 130 hours resulted. Thus, in order to explain the observed atmospheric ammonia levels at the ship, it seemed necessary to allow for an ammonia residence time of the order of several days within the plume which differs widely from previous reported estimates.

Influence of Boundary Conditions on Regional Air Quality Simulations—Analysis of AQMEII Phase 3 Results

EPA Science Inventory

Chemical boundary conditions are a key input to regional-scale photochemical models. In this study, performed during the third phase of the Air Quality Model Evaluation International Initiative (AQMEII3), we perform annual simulations over North America with chemical boundary con...

Ionosphere Profile Estimation Using Ionosonde & GPS Data in an Inverse Refraction Calculation

NASA Astrophysics Data System (ADS)

Psiaki, M. L.

2014-12-01

A method has been developed to assimilate ionosonde virtual heights and GPS slant TEC data to estimate the parameters of a local ionosphere model, including estimates of the topside and of latitude and longitude variations. This effort seeks to better assimilate a variety of remote sensing data in order to characterize local (and eventually regional and global) ionosphere electron density profiles. The core calculations involve a forward refractive ray-tracing solution and a nonlinear optimal estimation algorithm that inverts the forward model. The ray-tracing calculations solve a nonlinear two-point boundary value problem for the curved ionosonde or GPS ray path through a parameterized electron density profile. It implements a full 3D solution that can handle the case of a tilted ionosphere. These calculations use Hamiltonian equivalents of the Appleton-Hartree magneto-plasma refraction index model. The current ionosphere parameterization is a modified Booker profile. It has been augmented to include latitude and longitude dependencies. The forward ray-tracing solution yields a given signal's group delay and beat carrier phase observables. An auxiliary set of boundary value problem solutions determine the sensitivities of the ray paths and observables with respect to the parameters of the augmented Booker profile. The nonlinear estimation algorithm compares the measured ionosonde virtual-altitude observables and GPS slant-TEC observables to the corresponding values from the forward refraction model. It uses the parameter sensitivities of the model to iteratively improve its parameter estimates in a way the reduces the residual errors between the measurements and their modeled values. This method has been applied to data from HAARP in Gakona, AK and has produced good TEC and virtual height fits. It has been extended to characterize electron density perturbations caused by HAARP heating experiments through the use of GPS slant TEC data for an LOS through the heated zone. The next planned extension of the method is to estimate the parameters of a regional ionosphere profile. The input observables will be slant TEC from an array of GPS receivers and group delay and carrier phase observables from an array of high-frequency beacons. The beacon array will function as a sort of multi-static ionosonde.

Improved toughness of refractory compounds. [with elimination of the grain boundary phase

NASA Technical Reports Server (NTRS)

Wright, T. R.; Niesz, D. E.

1974-01-01

The concept of grain-boundary-engineering through elimination of the grain-boundary silicate phase in silicon nitride was developed. The process involved removal of the silica from the nitride powder via a thermal treatment coupled with the use of nitride additives to compensate the remaining oxygen. Magnesium and aluminum nitrides are found to be the most effective additive for use as oxygen compensators. Strength decreases at elevated temperatures are not observed in the alumina containing material. The creep rate of a dual additive sialon composition was two orders of magnitude lower at 1400 C than commercial silicon nitride. A cursory analysis of the creep mechanism indicate that grain-boundary sliding is avoided through elimination of the grain-boundary silicate phase.

Grain size dependent phase stabilities and presence of a monoclinic (Pm) phase in the morphotropic phase boundary region of (1-x)Bi(Mg1/2Ti1/2)O3-xPbTiO3 piezoceramics

NASA Astrophysics Data System (ADS)

Upadhyay, Ashutosh; Singh, Akhilesh Kumar

2015-04-01

Results of the room temperature structural studies on (1-x)Bi(Mg1/2Ti1/2)O3-xPbTiO3 ceramics using Rietveld analysis of the powder x-ray diffraction data in the composition range 0.28 ≤ x ≤ 0.45 are presented. The morphotropic phase boundary region exhibits coexistence of monoclinic (space group Pm) and tetragonal (space group P4 mm) phases in the composition range 0.33 ≤ x ≤ 0.40. The structure is nearly single phase monoclinic (space group Pm) in the composition range 0.28 ≤ x ≤ 0.32. The structure for the compositions with x ≥ 0.45 is found to be predominantly tetragonal with space group P4 mm. Rietveld refinement of the structure rules out the coexistence of rhombohedral and tetragonal phases in the morphotropic phase boundary region reported by earlier authors. The Rietveld structure analysis for the sample x = .35 calcined at various temperatures reveals that phase fraction of the coexisting phases in the morphotropic phase boundary region varies with grain size. The structural parameters of the two coexisting phases also change slightly with changing grain size.

Thermodynamic calculations in the system CH4-H2O and methane hydrate phase equilibria

USGS Publications Warehouse

Circone, S.; Kirby, S.H.; Stern, L.A.

2006-01-01

Using the Gibbs function of reaction, equilibrium pressure, temperature conditions for the formation of methane clathrate hydrate have been calculated from the thermodynamic properties of phases in the system CH4-H 2O. The thermodynamic model accurately reproduces the published phase-equilibria data to within ??2 K of the observed equilibrium boundaries in the range 0.08-117 MPa and 190-307 K. The model also provides an estimate of the third-law entropy of methane hydrate at 273.15 K, 0.1 MPa of 56.2 J mol-1 K-1 for 1/n CH4??H 2O, where n is the hydrate number. Agreement between the calculated and published phase-equilibria data is optimized when the hydrate composition is fixed and independent of the pressure and temperature for the conditions modeled. ?? 2006 American Chemical Society.

Turbulence Statistics in the Coastal Ocean Bottom Boundary Layer

NASA Astrophysics Data System (ADS)

Nayak, A. R.; Hackett, E. E.; Luznik, L.; Katz, J.; Osborn, T. R.

2010-12-01

A submersible particle image velocimetry (PIV) system was deployed off the coast of New Jersey, near the LEO-15 site, to characterize the flow and turbulence in the inner part of the continental shelf bottom boundary layer. The measurement domain extended from 5 mm at the bottom up to an elevation of 51 cm in different datasets. The flow comprised of a mean current and wave-induced flow with a period of 10 s. The ratio of wave velocity amplitude to mean current magnitude varied over the tidal cycle and with elevation, with a maximum of 2.35. Their relative orientation also varied. Large databases of time-resolved, high resolution, 2D velocity distributions enabled us to calculate the instantaneous spatial velocity gradients, and from them, the statistically converged vertical dissipation rate profiles. Reynolds Stresses were estimated using the Shaw & Trowbridge technique outside of the wave boundary layer (WBL), and directly, using the instantaneous spatial variations in velocity, near the wall. Results were utilized for calculating the shear production profiles. Hilbert Transforms were utilized for calculating the wave phase of each velocity distribution, and performing conditional sampling of data to determine variations in flow and turbulence parameters during a wave cycle. The mean velocity profiles indicated the presence of a wave boundary layer, followed by a transition region, and a log layer above it. The datasets extending to the wall show that there is no clear log layer within the WBL, but, as expected, profiles vary substantially with location relative to the ripples. Phase dependent variations in mean flow and dissipation rate occurred only in the WBL and transition region, but vanished at higher elevations. The dissipation rate typically peaked during acceleration phases of wave-induced motion, especially near the wall, but it sometimes peaked during wave-crest phases. Below the transition region, the dissipation rate increased rapidly as the wall was approached all the way to the ripple crest, presumably due to the increasing presence of eddies with characteristic size of 1-3 times the ripple height that fell in the dissipation range of the energy spectra. Shear production also peaked at the ripple crest, consistent with laboratory data for rough wall boundary layers. Acknowledgements : NSF

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

Heo, Yooun; Lee, Jin Hong; Xie, Lin

Enhanced properties in modern functional materials can often be found at structural transition regions, such as morphotropic phase boundaries (MPB), owing to the coexistence of multiple phases with nearly equivalent energies. Strain-engineered MPBs have emerged in epitaxially grown BiFeO 3 (BFO) thin films by precisely tailoring a compressive misfit strain, leading to numerous intriguing phenomena, such as a massive piezoelectric response, magnetoelectric coupling, interfacial magnetism and electronic conduction. Recently, an orthorhombic–rhombohedral (O–R) phase boundary has also been found in tensile-strained BFO. In this study, we characterise the crystal structure and electronic properties of the two competing O and R phasesmore » using X-ray diffraction, scanning probe microscope and scanning transmission electron microscopy (STEM). We observe the temperature evolution of R and O domains and find that the domain boundaries are highly conductive. Temperature-dependent measurements reveal that the conductivity is thermally activated for R–O boundaries. STEM observations point to structurally wide boundaries, significantly wider than in other systems. Furthermore, we reveal a strong correlation between the highly conductive domain boundaries and structural material properties. These findings provide a pathway to use phase boundaries in this system for novel nanoelectronic applications.« less

Partial phase diagram for the system NH3-H2O - The water-rich region

NASA Technical Reports Server (NTRS)

Johnson, M. L.; Schwake, A.; Nicol, M.

1984-01-01

Phase boundaries of the H2O-NH3 system for (NH3)/x/(H2O)/1-x/ have been determined with diamond-anvil cells for mixtures in two composition ranges: (1) for x in the range from 0 to 0.3, at pressures up to 4 GPa at 21 C, and (2) for x in the range from 0.46 to 0.50, at pressures up to 5 GPa from 150 to 400 K. Phases were identified visually with a microscope and polarized optics. The NH3.2(H2O) phase is strongly anisotropic with a much smaller refractive index than that of ice VII and cracks in two nonperpendicular networks. NH3.H2O has a refractive index closer to that of Ice VII and does not appear to form cracks. Both phases are colorless. Phase boundaries were determined on both increasing and decreasing pressures, and compositions of the ammonia ices were determined by estimating relative amounts of water and ammonia ices at known overall compositions. For low-ammonia compositions (x equal to or less than 0.15), the following assemblages succedd one another as pressure increases: liquid; liquid and Ice VI (at 1.0 + GPa); liquid and Ice VII (at 2.1 GPa); Ice VII and NH3.H2O (at 3.5 GPa). For x in the range from 0.15 to 0.30, the water ice and liquid fields are replaced by the NH3.2(H2O) and liquid field at pressures down to 1.0 GPa and lower.

CO2 convective dissolution controlled by temporal changes in free-phase CO2 properties

NASA Astrophysics Data System (ADS)

Jafari Raad, S. M.; Emami-Meybodi, H.; Hassanzadeh, H.

2017-12-01

Understanding the factors that control CO2 convective dissolution, which is one of the permanent trapping mechanisms, in the deep saline aquifer is crucial in the long-term fate of the injected CO2. The present study investigates the effects of temporal changes in the solubility of CO2 at the free-phase CO2/brine interface on the onset of natural convection and the subsequent convective mixing by conducting linear stability analyses (LSA) and direct numerical simulations (DNS). A time-dependent concentration boundary is considered for the free-phase CO2/brine interface where the CO2 concentration first decreases with the time and then remains constant. The LSA results show that the temporal variation in the concentration increases the onset of natural convection up to two orders of magnitude. In addition, the critical Rayleigh number significantly increases as CO2 concentration decreases. In other words, size and pressure of the injected CO2 affect the commencement of convective mixing. Based on LSA results, several scaling relations are proposed to correlate critical Rayleigh number, critical time, and its corresponding wavenumbers with time-dependent boundary's parameters, such as concentration decline rate and equilibrium concentration ratio. The DNS results reveal that the convective fingering patterns are significantly influenced by the variation of CO2 concentration at the interface. These findings improve our understanding of CO2 solubility trapping and are particularly important in estimation of potential storage capacity, risk assessment, and storage sites characterization and screening. Keywords: CO2 sequestration; natural convection; solubility trapping; time-dependent boundary condition; numerical simulation; stability analysis

Effect of joint spacing and joint dip on the stress distribution around tunnels using different numerical methods

NASA Astrophysics Data System (ADS)

Nikadat, Nooraddin; Fatehi Marji, Mohammad; Rahmannejad, Reza; Yarahmadi Bafghi, Alireza

2016-11-01

Different conditions may affect the stability of tunnels by the geometry (spacing and orientation) of joints in the surrounded rock mass. In this study, by comparing the results obtained by the three novel numerical methods i.e. finite element method (Phase2), discrete element method (UDEC) and indirect boundary element method (TFSDDM), the effects of joint spacing and joint dips on the stress distribution around rock tunnels are numerically studied. These comparisons indicate the validity of the stress analyses around circular rock tunnels. These analyses also reveal that for a semi-continuous environment, boundary element method gives more accurate results compared to the results of finite element and distinct element methods. In the indirect boundary element method, the displacements due to joints of different spacing and dips are estimated by using displacement discontinuity (DD) formulations and the total stress distribution around the tunnel are obtained by using fictitious stress (FS) formulations.

Numerical modeling of Stokes flows over a superhydrophobic surface containing gas bubbles

NASA Astrophysics Data System (ADS)

Ageev, A. I.; Golubkina, I. V.; Osiptsov, A. N.

2017-10-01

This paper continues the numerical modeling of Stokes flows near cavities of a superhydrophobic surface, occupied by gas bubbles, based on the Boundary Element Method (BEM). The aim of the present study is to estimate the friction reduction (pressure drop) in a microchannel with a bottom superhydrophobic surface, the texture of which is formed by a periodic system of striped rectangular microcavities containing compressible gas bubbles. The model proposed takes into account the streamwise variation of the bubble shift into the cavities, caused by the longitudinal pressure gradient in the channel flow. The solution for the macroscopic (averaged) flow in the microchannel, constructed using an effective slip boundary condition on the superhydrophobic bottom wall, is matched with the solution of the Stokes problem at the microscale of a single cavity containing a gas bubble. The 2D Stokes problems of fluid flow over single cavities containing curved phase interfaces with the condition of zero shear stress are reduced to the boundary integral equations which are solved using the BEM method.

Spectral factorization of wavefields and wave operators

NASA Astrophysics Data System (ADS)

Rickett, James Edward

Spectral factorization is the problem of finding a minimum-phase function with a given power spectrum. Minimum phase functions have the property that they are causal with a causal (stable) inverse. In this thesis, I factor multidimensional systems into their minimum-phase components. Helical boundary conditions resolve any ambiguities over causality, allowing me to factor multi-dimensional systems with conventional one-dimensional spectral factorization algorithms. In the first part, I factor passive seismic wavefields recorded in two-dimensional spatial arrays. The result provides an estimate of the acoustic impulse response of the medium that has higher bandwidth than autocorrelation-derived estimates. Also, the function's minimum-phase nature mimics the physics of the system better than the zero-phase autocorrelation model. I demonstrate this on helioseismic data recorded by the satellite-based Michelson Doppler Imager (MDI) instrument, and shallow seismic data recorded at Long Beach, California. In the second part of this thesis, I take advantage of the stable-inverse property of minimum-phase functions to solve wave-equation partial differential equations. By factoring multi-dimensional finite-difference stencils into minimum-phase components, I can invert them efficiently, facilitating rapid implicit extrapolation without the azimuthal anisotropy that is observed with splitting approximations. The final part of this thesis describes how to calculate diagonal weighting functions that approximate the combined operation of seismic modeling and migration. These weighting functions capture the effects of irregular subsurface illumination, which can be the result of either the surface-recording geometry, or focusing and defocusing of the seismic wavefield as it propagates through the earth. Since they are diagonal, they can be easily both factored and inverted to compensate for uneven subsurface illumination in migrated images. Experimental results show that applying these weighting functions after migration leads to significantly improved estimates of seismic reflectivity.

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

PubMed

Thuvander, Mattias; Andersson, Marcus; Stiller, Krystyna

2013-09-01

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

Shock induced phase transitions and current generation in ferroelectric ceramics

NASA Astrophysics Data System (ADS)

Agrawal, Vinamra; Bhattacharya, Kaushik

2017-06-01

Ferroelectric materials are used as ferroelectric generators to obtain pulsed power by subjecting them to a shock loading. The impact induces a phase transition and at high impact speeds, dielectric breakdown. Depending on the loading conditions and the electromechanical boundary conditions, the current or voltage profiles obtained vary. We explore the phenomenon of large deformation dynamic behavior and the associated electro-thermo-mechanical coupling of ferroelectric materials in adiabatic environments. Using conservation laws, Maxwell's equations and second law of thermodynamics, we obtain a set of governing equations for the material and the driving force acting on the propagating phase boundary. We also account for the possibility of surface charges on the phase boundary in case of dielectric breakdown which introduces contribution of curvature of the phase boundary in the equations. Next, the governing equations are used to solve a plate impact problem. The Helmholtz energy of the material is chosen be a combination of piecewise quadratic potential in polarization and thermo-elastic material capable of undergoing phase transformation. We obtain current profiles for short circuit boundary conditions along with strain, particle velocity and temperature maps. US AFOSR through Center of Excellence in High Rate Deformation of Heterogeneous Materials FA 9550-12-1-0091.

Temperature and pressure dependences of Sm valence in intermediate valence compound SmB6

NASA Astrophysics Data System (ADS)

Emi, N.; Mito, T.; Kawamura, N.; Mizumaki, M.; Ishimatsu, N.; Pristáš, G.; Kagayama, T.; Shimizu, K.; Osanai, Y.; Iga, F.

2018-05-01

We report the results of the X-ray absorption spectroscopy (XAS) on the intermediate valence compound SmB6. The XAS measurements were performed near the nonmagnetic-magnetic phase boundary. Mean Sm valence vSm was estimated from absorption spectra, and we found that vSm near the boundary (P ≥ 10 GPa and T ∼ 12 K) is far below a trivalent state with magnetic characteristics. Although the result is markedly different from the cases of pressure induced magnetic orders in Yb and Ce compounds, it is likely that the large deviation from the trivalent state seems to be common in some Sm compounds which possess electronic configuration between 4f5 and 4f6 with multi 4 f electrons.

Crystallization of the glassy phase of grain boundaries in silicon nitride

NASA Technical Reports Server (NTRS)

Jefferson, D. A.; Thomas, J. M.; Wen, S.

1984-01-01

Three types of hot-pressed silicon nitride specimens (containing 5wt% Y2O3 and 2wt% Al2O3 additives) which were subjected to different temperature heat treatments were studied by X-ray diffraction, X-ray microanalysis and high resolution electron microscopy. The results indicated that there were phase changes in the grain boundaries after heat treatment and the glassy phase at the grain boundaries was crystallized by heat treatment.

Lowermost mantle anisotropy and deformation along the boundary of the African LLSVP

NASA Astrophysics Data System (ADS)

Lynner, Colton; Long, Maureen D.

2014-05-01

Shear wave splitting of SK(K)S phases is often used to examine upper mantle anisotropy. In specific cases, however, splitting of these phases may reflect anisotropy in the lowermost mantle. Here we present SKS and SKKS splitting measurements for 233 event-station pairs at 34 seismic stations that sample D″ beneath Africa. Of these, 36 pairs show significantly different splitting between the two phases, which likely reflects a contribution from lowermost mantle anisotropy. The vast majority of discrepant pairs sample the boundary of the African large low shear velocity province (LLSVP), which dominates the lower mantle structure beneath this region. In general, we observe little or no splitting of phases that have passed through the LLSVP itself and significant splitting for phases that have sampled the boundary of the LLSVP. We infer that the D″ region just outside the LLSVP boundary is strongly deformed, while its interior remains undeformed (or weakly deformed).

Regularity estimates up to the boundary for elliptic systems of difference equations

NASA Technical Reports Server (NTRS)

Strikwerda, J. C.; Wade, B. A.; Bube, K. P.

1986-01-01

Regularity estimates up to the boundary for solutions of elliptic systems of finite difference equations were proved. The regularity estimates, obtained for boundary fitted coordinate systems on domains with smooth boundary, involve discrete Sobolev norms and are proved using pseudo-difference operators to treat systems with variable coefficients. The elliptic systems of difference equations and the boundary conditions which are considered are very general in form. The regularity of a regular elliptic system of difference equations was proved equivalent to the nonexistence of eigensolutions. The regularity estimates obtained are analogous to those in the theory of elliptic systems of partial differential equations, and to the results of Gustafsson, Kreiss, and Sundstrom (1972) and others for hyperbolic difference equations.

Development of the young spine questionnaire.

PubMed

Lauridsen, Henrik Hein; Hestbaek, Lise

2013-06-12

Back pain in children is common and early onset of back pain has been shown to increase the risk of back pain significantly in adulthood. Consequently, preventive efforts must be targeted the young population but research relating to spinal problems in this age group is scarce. Focus has primarily been on the working age population, and therefore specific questionnaires to measure spinal pain and its consequences, specifically aimed at children and adolescents are absent. The purpose of this study was to develop a questionnaire for schoolchildren filling this gap. The Young Spine Questionnaire (YSQ) was developed in three phases--a conceptualisation, development and testing phase. The conceptualisation phase followed the Wilson and Cleary model and included questions regarding spinal prevalence estimates, pain frequency and intensity, activity restrictions, care seeking behaviour and influence of parental back trouble. Items from existing questionnaires and the "Revised Faces Pain Scale" (rFPS) were included during the development phase. The testing phase consisted of a mixed quantitative and qualitative iterative method carried out in two pilot tests using 4th grade children and focusing on assessment of spinal area location and item validity. The testing phase resulted in omission of the pain drawings and the questions and answer categories were simplified in several questions. Agreement between the questionnaire prevalence estimates and the interviews ranged between 83.7% (cervical pain today) and 97.9% (thoracic pain today). To improve the understanding of the spinal boundaries we added bony landmarks to the spinal drawings after pilot test I. This resulted in an improved sense of spinal boundary location in pilot test II. Correlations between the rFPS and the interview pain score ranged between 0.67 (cervical spine) and 0.79 (lumbar spine). The Young Spine Questionnaire contains questions that assess spinal pain and its consequences. The items have been tested for content understanding and agreement between questionnaire scores and interview findings among target respondents. These preliminary results suggest that the YSQ is feasible, has content validity and is a well understood questionnaire to be used in studies of children aged 9 to 11 years.

Boundaries for martensitic transition of 7Li under pressure

DOE PAGES

Schaeffer, Anne Marie; Cai, Weizhao; Olejnik, Ella; ...

2015-08-14

We report that physical properties of lithium under extreme pressures continuously reveal unexpected features. These include a sequence of structural transitions to lower symmetry phases, metal-insulator-metal transition, superconductivity with one of the highest elemental transition temperatures, and a maximum followed by a minimum in its melting line. The instability of the bcc structure of lithium is well established by the presence of a temperature-driven martensitic phase transition. The boundaries of this phase, however, have not been previously explored above 3 GPa. All higher pressure phase boundaries are either extrapolations or inferred based on indirect evidence. Here we explore the pressuremore » dependence of the martensitic transition of lithium up to 7 GPa using a combination of neutron and X-ray scattering. We find a rather unexpected deviation from the extrapolated boundaries of the hR3 phase of lithium. Furthermore, there is evidence that, above ~3 GPa, once in fcc phase, lithium does not undergo a martensitic transition.« less

Uniform gradient estimates on manifolds with a boundary and applications

NASA Astrophysics Data System (ADS)

Cheng, Li-Juan; Thalmaier, Anton; Thompson, James

2018-04-01

We revisit the problem of obtaining uniform gradient estimates for Dirichlet and Neumann heat semigroups on Riemannian manifolds with boundary. As applications, we obtain isoperimetric inequalities, using Ledoux's argument, and uniform quantitative gradient estimates, firstly for C^2_b functions with boundary conditions and then for the unit spectral projection operators of Dirichlet and Neumann Laplacians.

Global phase diagram of the spinless Falicov-Kimball model in d = 3 : renormalization-group theory

NASA Astrophysics Data System (ADS)

Sariyer, Ozan S.; Hinczewski, Michael; Berker, A. Nihat

2011-03-01

The global phase diagram of the spinless Falicov-Kimball model in d = 3 spatial dimensions is obtained by renormalization-group theory. This global phase diagram exhibits five distinct phases. Four of these phases are charge-ordered (CO) phases, in which the system forms two sublattices with different electron densities. The phase boundaries are second order, except for an intermediate interaction regime, where a first-order phase boundary between two CO phases occurs. The first-order phase boundary is delimited by special bicritical points. The cross-sections of the global phase diagram with respect to the chemical potentials of the localized and mobile electrons, at all representative interaction and hopping strengths, are calculated and exhibit three distinct topologies. The phase diagrams with respect to electron densities are also calculated. This research was supported by the Alexander von Humboldt Foundation, the Scientific and Technological Research Council of Turkey (TÜBITAK), and the Academy of Sciences of Turkey.

Stability of Fe-Ni hydride after the reaction between Fe-Ni alloy and hydrous phase (δ-AlOOH) up to 1.2 Mbar: Possibility of H contribution to the core density deficit

NASA Astrophysics Data System (ADS)

Terasaki, Hidenori; Ohtani, Eiji; Sakai, Takeshi; Kamada, Seiji; Asanuma, Hidetoshi; Shibazaki, Yuki; Hirao, Naohisa; Sata, Nagayoshi; Ohishi, Yasuo; Sakamaki, Tatsuya; Suzuki, Akio; Funakoshi, Ken-ichi

2012-03-01

The hydrous mineral, δ-AlOOH, is stable up to at least the core-mantle boundary, and therefore has been proposed as a water carrier to the Earth's deep mantle. If δ-AlOOH is transported down to the core-mantle boundary by a subducting slab or the mantle convection, then the reaction between the iron alloy core and δ-AlOOH is important in the deep water/hydrogen cycle in the Earth. Here we conducted an in situ X-ray diffraction study to determine the behavior of hydrogen between Fe-Ni alloys and δ-AlOOH up to near the core-mantle boundary conditions. The obtained diffraction spectra show that fcc/dhcp Fe-Ni hydride is stable over a wide pressure range of 19-121 GPa at high temperatures. Although the temperature of formation of Fe-Ni hydride tends to increase up to 1950 K with increasing pressure to 121 GPa, this reaction temperature is well below the mantle geotherm. δ-AlOOH was confirmed to coexist stably with perovskite, suggesting that δ-AlOOH can be a major hydrous phase in the lower mantle. Therefore, when δ-AlOOH contacts with the core at the core-mantle boundary, the hydrogen is likely to dissolve into the Earth's core. Based on the present results, the amount of hydrogen to explain the core density deficit is estimated to be 1.0-2.0 wt.%.

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

Ahmed, K.; Tonks, M.; Zhang, Y.

A detailed phase field model for the effect of pore drag on grain growth kinetics was implemented in MARMOT. The model takes into consideration both the curvature-driven grain boundary motion and pore migration by surface diffusion. As such, the model accounts for the interaction between pore and grain boundary kinetics, which tends to retard the grain growth process. Our 2D and 3D simulations demonstrate that the model capture all possible pore-grain boundary interactions proposed in theoretical models. For high enough surface mobility, the pores move along with the migrating boundary as a quasi-rigid-body, albeit hindering its migration rate compared tomore » the pore-free case. For less mobile pores, the migrating boundary can separate from the pores. For the pore-controlled grain growth kinetics, the model predicts a strong dependence of the growth rate on the number of pores, pore size, and surface diffusivity in agreement with theroretical models. An evolution equation for the grain size that includes these parameters was derived and showed to agree well with numerical solution. It shows a smooth transition from boundary-controlled kinetics to pore-controlled kinetics as the surface diffusivity decreases or the number of pores or their size increases. This equation can be utilized in BISON to give accurate estimate for the grain size evolution. This will be accomplished in the near future. The effect of solute drag and anisotropy of grain boundary on grain growth will be investigated in future studies.« less

Phase relations and adiabats in boiling seafloor geothermal systems

USGS Publications Warehouse

Bischoff, J.L.; Pitzer, Kenneth S.

1985-01-01

Observations of large salinity variations and vent temperatures in the range of 380-400??C suggest that boiling or two-phase separation may be occurring in some seafloor geothermal systems. Consideration of flow rates and the relatively small differences in density between vapors and liquids at the supercritical pressures at depth in these systems suggests that boiling is occurring under closed-system conditions. Salinity and temperature of boiling vents can be used to estimate the pressure-temperature point in the subsurface at which liquid seawater first reached the two-phase boundary. Data are reviewed to construct phase diagrams of coexisting brines and vapors in the two-phase region at pressures corresponding to those of the seafloor geothermal systems. A method is developed for calculating the enthalpy and entropy of the coexisting mixtures, and results are used to construct adiabats from the seafloor to the P-T two-phase boundary. Results for seafloor vents discharging at 2300 m below sea level indicate that a 385??C vent is composed of a brine (7% NaCl equivalent) in equilibrium with a vapor (0.1% NaCl). Brine constitutes 45% by weight of the mixture, and the fluid first boiled at approximately 1 km below the seafloor at 415??C, 330 bar. A 400??C vent is primarily vapor (88 wt.%, 0.044% NaCl) with a small amount of brine (26% NaCl) and first boiled at 2.9 km below the seafloor at 500??C, 520 bar. These results show that adiabatic decompression in the two-phase region results in dramatic cooling of the fluid mixture when there is a large fraction of vapor. ?? 1985.

Atmospheric Turbulence Estimates from a Pulsed Lidar

NASA Technical Reports Server (NTRS)

Pruis, Matthew J.; Delisi, Donald P.; Ahmad, Nash'at N.; Proctor, Fred H.

2013-01-01

Estimates of the eddy dissipation rate (EDR) were obtained from measurements made by a coherent pulsed lidar and compared with estimates from mesoscale model simulations and measurements from an in situ sonic anemometer at the Denver International Airport and with EDR estimates from the last observation time of the trailing vortex pair. The estimates of EDR from the lidar were obtained using two different methodologies. The two methodologies show consistent estimates of the vertical profiles. Comparison of EDR derived from the Weather Research and Forecast (WRF) mesoscale model with the in situ lidar estimates show good agreement during the daytime convective boundary layer, but the WRF simulations tend to overestimate EDR during the nighttime. The EDR estimates from a sonic anemometer located at 7.3 meters above ground level are approximately one order of magnitude greater than both the WRF and lidar estimates - which are from greater heights - during the daytime convective boundary layer and substantially greater during the nighttime stable boundary layer. The consistency of the EDR estimates from different methods suggests a reasonable ability to predict the temporal evolution of a spatially averaged vertical profile of EDR in an airport terminal area using a mesoscale model during the daytime convective boundary layer. In the stable nighttime boundary layer, there may be added value to EDR estimates provided by in situ lidar measurements.

Development of diapiric structures in the upper mantle due to phase transitions

NASA Technical Reports Server (NTRS)

Liu, M.; Yuen, D. A.; Zhao, W.; Honda, S.

1991-01-01

Solid-state phase transition in time-dependent mantle convection can induce diapiric flows in the upper mantle. When a deep mantle plume rises toward phase boundaries in the upper mantle, the changes in the local thermal buoyancy, local heat capacity, and latent heat associated with the phase change at a depth of 670 kilometers tend to pinch off the plume head from the feeding stem and form a diapir. This mechanism may explain episodic hot spot volcanism. The nature of the multiple phase boundaries at the boundary between the upper and lower mantle may control the fate of deep mantle plumes, allowing hot plumes to go through and retarding the tepid ones.

Moving walls and geometric phases

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

Facchi, Paolo, E-mail: paolo.facchi@ba.infn.it; INFN, Sezione di Bari, I-70126 Bari; Garnero, Giancarlo, E-mail: giancarlo.garnero@uniba.it

2016-09-15

We unveil the existence of a non-trivial Berry phase associated to the dynamics of a quantum particle in a one dimensional box with moving walls. It is shown that a suitable choice of boundary conditions has to be made in order to preserve unitarity. For these boundary conditions we compute explicitly the geometric phase two-form on the parameter space. The unboundedness of the Hamiltonian describing the system leads to a natural prescription of renormalization for divergent contributions arising from the boundary.

Studies of the phase gradient at the boundary of the phase diffusion equation, motivated by peculiar wave patterns of rhythmic contraction in the amoeboid movement of Physarum polycephalum

NASA Astrophysics Data System (ADS)

Iima, Makoto; Kori, Hiroshi; Nakagaki, Toshiyuki

2017-04-01

The boundary of a cell is the interface with its surroundings and plays a key role in controlling the cell movement adaptations to different environments. We propose a study of the boundary effects on the patterns and waves of the rhythmic contractions in plasmodia of Physarum polycephalum, a tractable model organism of the amoeboid type. Boundary effects are defined as the effects of both the boundary conditions and the boundary shape. The rhythmicity of contraction can be modulated by local stimulation of temperature, light and chemicals, and by local deformation of cell shape via mechanosensitive ion channels as well. First, we examined the effects of boundary cell shapes in the case of a special shape resembling a tadpole, while requiring that the natural frequency in the proximity of the boundary is slightly higher and uniform. The simulation model reproduced the approximate propagated wave, from the tail to the head, while the inward waves were observed only near the periphery of the head section of the tadpole-shape. A key finding was that the frequency of the rhythmic contractions depended on the local shape of cell boundary. This implies that the boundary conditions of the phase were not always homogeneous. To understand the dependency, we reduced the two-dimensional model into a one-dimensional continuum model with Neumann boundary conditions. Here, the boundary conditions reflect the frequency distribution at the boundary. We described the analytic solutions and calculated the relationship between the boundary conditions and the wave propagation for a one-dimensional model of the continuous oscillatory field and a discrete coupled oscillator system. The results obtained may not be limited to cell movement of Physarum, but may be applicable to the other physical systems since the analysis used a generic phase diffusion equation.

Exact solution for a two-phase Stefan problem with variable latent heat and a convective boundary condition at the fixed face

NASA Astrophysics Data System (ADS)

Bollati, Julieta; Tarzia, Domingo A.

2018-04-01

Recently, in Tarzia (Thermal Sci 21A:1-11, 2017) for the classical two-phase Lamé-Clapeyron-Stefan problem an equivalence between the temperature and convective boundary conditions at the fixed face under a certain restriction was obtained. Motivated by this article we study the two-phase Stefan problem for a semi-infinite material with a latent heat defined as a power function of the position and a convective boundary condition at the fixed face. An exact solution is constructed using Kummer functions in case that an inequality for the convective transfer coefficient is satisfied generalizing recent works for the corresponding one-phase free boundary problem. We also consider the limit to our problem when that coefficient goes to infinity obtaining a new free boundary problem, which has been recently studied in Zhou et al. (J Eng Math 2017. https://doi.org/10.1007/s10665-017-9921-y).

Anomalously strong observations of PKiKP/PcP amplitude ratios on a global scale

NASA Astrophysics Data System (ADS)

Waszek, Lauren; Deuss, Arwen

2015-07-01

The inner core boundary marks the phase transition between the solid inner core and the fluid outer core. As the site of inner core solidification, the boundary provides insight into the processes generating the seismic structures of the inner core. In particular, it may hold the key to understanding the previously observed hemispherical asymmetry in inner core seismic velocity, anisotropy, and attenuation. Here we use a large PKiKP-PcP amplitude ratio and travel time residual data set to investigate velocity and density contrast properties near the inner core boundary. Although hemispherical structure at the boundary has been proposed by previous inner core studies, we find no evidence for hemispheres in the amplitude ratios or travel time residuals. In addition, we find that the amplitude ratios are much larger than can be explained by variations in density contrast at the inner core boundary or core-mantle boundary. This indicates that PKiKP is primarily observed when it is anomalously large, due to focusing along its raypath. Using data in which PKiKP is not detected above the noise level, we calculate an upper estimate for the inner core boundary (ICB) density contrast of 1.2 kg m-3. The travel time residuals display large regional variations, which differ on long and short length scales. These regions may be explained by large-scale velocity variations in the F layer just above the inner core boundary, and/or small-scale topography of varying magnitude on the ICB, which also causes the large amplitudes. Such differences could arise from localized freezing and melting of the inner core.

Boundary assessment under uncertainty: A case study

USGS Publications Warehouse

Pawlowsky, V.; Olea, R.A.; Davis, J.C.

1993-01-01

Estimating certain attributes within a geological body whose exact boundary is not known presents problems because of the lack of information. Estimation may result in values that are inadmissible from a geological point of view, especially with attributes which necessarily must be zero outside the boundary, such as the thickness of the oil column outside a reservoir. A simple but effective way to define the boundary is to use indicator kriging in two steps, the first for the purpose of extrapolating control points outside the body, the second to obtain a weighting function which expresses the uncertainty attached to estimations obtained in the boundary region. ?? 1993 International Association for Mathematical Geology.

Degradation analysis of a Ni-based layered positive-electrode active material cycled at elevated temperatures studied by scanning transmission electron microscopy and electron energy-loss spectroscopy

NASA Astrophysics Data System (ADS)

Kojima, Y.; Muto, S.; Tatsumi, K.; Kondo, H.; Oka, H.; Horibuchi, K.; Ukyo, Y.

We investigate the local structural changes in a positive electrode of a lithium ion secondary battery (LiNi 0.8Co 0.15Al 0.05O 2 (NCA) as the active material) associated with charge-discharge cycling at elevated temperatures by scanning transmission electron microscopy (STEM) and electron energy-loss spectroscopy (EELS). STEM-EELS spectral imaging reveals the evolution of a NiO-like phase localized near the surface and grain boundary regions after many cycles. The amounts of capacity fading and resistance increase are discussed based on the results of the semiquantitative estimation of NiO-like and other product phases. We also identify the chemical state of lithium in the NiO-like phase substituting for Ni.

Enhanced viscous flow drag reduction using acoustic excitation

NASA Technical Reports Server (NTRS)

Nagel, R. T.

1988-01-01

Large eddy break up devices (LEBUs) constitute a promising method of obtaining drag reduction in a turbulent boundary layer. Enhancement of the LEBU effectiveness by exciting its trailing edge with acoustic waves phase locked to the large scale structure influencing the momentum transfer to the wall is sought. An initial estimate of the required sound pressure level for an effective pulse was obtained by considering the magnitude of the pressure perturbations at the near wake of a thin plate in inviscid flow. Detailed skin friction measurments were obtained in the flow region downstream of a LEBU excited with acoustic waves. The data are compared with skin friction measurements of a simply manipulated flow, without acoustic excitation and with a plain flow configuration. The properties and the scales of motion in the flow regime downstream of the acoustically excited LEBU are studied. A parametric study based upon the characteristics of the acoustic input was pursued in addition to the careful mapping of the drag reduction phenomenon within the acoustically manipulated boundary layer. This study of boundary layer manipulation has lead to improved skin friction drag reduction and further understanding of the turbulent boundary layer.

Pulsating flow and boundary layers in viscous electronic hydrodynamics

NASA Astrophysics Data System (ADS)

Moessner, Roderich; Surówka, Piotr; Witkowski, Piotr

2018-04-01

Motivated by experiments on a hydrodynamic regime in electron transport, we study the effect of an oscillating electric field in such a setting. We consider a long two-dimensional channel of width L , whose geometrical simplicity allows an analytical study as well as hopefully permitting an experimental realization. The response depends on viscosity ν , driving frequency ω , and ohmic heating coefficient γ via the dimensionless complex variable L/2ν (i ω +γ ) =i Ω +Σ . While at small Ω , we recover the static solution, a different regime appears at large Ω with the emergence of a boundary layer. This includes a splitting of the location of maximal flow velocity from the center towards the edges of the boundary layer, an increasingly reactive nature of the response, with the phase shift of the response varying across the channel. The scaling of the total optical conductance with L differs between the two regimes, while its frequency dependence resembles a Drude form throughout, even in the complete absence of ohmic heating, against which, at the same time, our results are stable. Current estimates for transport coefficients in graphene and delafossites suggest that the boundary-layer regime should be experimentally accessible.

Using reweighting and free energy surface interpolation to predict solid-solid phase diagrams

NASA Astrophysics Data System (ADS)

Schieber, Natalie P.; Dybeck, Eric C.; Shirts, Michael R.

2018-04-01

Many physical properties of small organic molecules are dependent on the current crystal packing, or polymorph, of the material, including bioavailability of pharmaceuticals, optical properties of dyes, and charge transport properties of semiconductors. Predicting the most stable crystalline form at a given temperature and pressure requires determining the crystalline form with the lowest relative Gibbs free energy. Effective computational prediction of the most stable polymorph could save significant time and effort in the design of novel molecular crystalline solids or predict their behavior under new conditions. In this study, we introduce a new approach using multistate reweighting to address the problem of determining solid-solid phase diagrams and apply this approach to the phase diagram of solid benzene. For this approach, we perform sampling at a selection of temperature and pressure states in the region of interest. We use multistate reweighting methods to determine the reduced free energy differences between T and P states within a given polymorph and validate this phase diagram using several measures. The relative stability of the polymorphs at the sampled states can be successively interpolated from these points to create the phase diagram by combining these reduced free energy differences with a reference Gibbs free energy difference between polymorphs. The method also allows for straightforward estimation of uncertainties in the phase boundary. We also find that when properly implemented, multistate reweighting for phase diagram determination scales better with the size of the system than previously estimated.

Calcium-Magnesium-Aluminosilicate (CMAS) Reactions and Degradation Mechanisms of Advanced Environmental Barrier Coatings

NASA Technical Reports Server (NTRS)

Ahlborg, Nadia L.; Zhu, Dongming

2013-01-01

The thermochemical reactions between calcium-magnesium-aluminosilicate- (CMAS-) based road sand and several advanced turbine engine environmental barrier coating (EBC) materials were studied. The phase stability, reaction kinetics and degradation mechanisms of rare earth (RE)-silicates Yb2SiO5, Y2Si2O7, and RE-oxide doped HfO2 and ZrO2 under the CMAS infiltration condition at 1500 C were investigated, and the microstructure and phase characteristics of CMAS-EBC specimens were examined using Scanning Electron Microscopy (SEM) and X-ray Diffraction (XRD). Experimental results showed that the CMAS dissolved RE-silicates to form crystalline, highly non-stoichiometric apatite phases, and in particular attacking the silicate grain boundaries. Cross-section images show that the CMAS reacted with specimens and deeply penetrated into the EBC grain boundaries and formed extensive low-melting eutectic phases, causing grain boundary recession with increasing testing time in the silicate materials. The preliminary results also showed that CMAS reactions also formed low melting grain boundary phases in the higher concentration RE-oxide doped HfO2 systems. The effect of the test temperature on CMAS reactions of the EBC materials will also be discussed. The faster diffusion exhibited by apatite and RE-doped oxide phases and the formation of extensive grain boundary low-melting phases may limit the CMAS resistance of some of the environmental barrier coatings at high temperatures.

Identifying phase-space boundaries with Voronoi tessellations

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

Debnath, Dipsikha; Gainer, James S.; Kilic, Can

Determining the masses of new physics particles appearing in decay chains is an important and longstanding problem in high energy phenomenology. Recently it has been shown that these mass measurements can be improved by utilizing the boundary of the allowed region in the fully differentiable phase space in its full dimensionality. Here in this paper we show that the practical challenge of identifying this boundary can be solved using techniques based on the geometric properties of the cells resulting from Voronoi tessellations of the relevant data. The robust detection of such phase-space boundaries in the data could also be usedmore » to corroborate a new physics discovery based on a cut-and-count analysis.« less

Identifying phase-space boundaries with Voronoi tessellations

DOE PAGES

Debnath, Dipsikha; Gainer, James S.; Kilic, Can; ...

2016-11-24

Determining the masses of new physics particles appearing in decay chains is an important and longstanding problem in high energy phenomenology. Recently it has been shown that these mass measurements can be improved by utilizing the boundary of the allowed region in the fully differentiable phase space in its full dimensionality. Here in this paper we show that the practical challenge of identifying this boundary can be solved using techniques based on the geometric properties of the cells resulting from Voronoi tessellations of the relevant data. The robust detection of such phase-space boundaries in the data could also be usedmore » to corroborate a new physics discovery based on a cut-and-count analysis.« less

Revisiting Boundary Perturbation Theory for Inhomogeneous Transport Problems

DOE PAGES

Favorite, Jeffrey A.; Gonzalez, Esteban

2017-03-10

Adjoint-based first-order perturbation theory is applied again to boundary perturbation problems. Rahnema developed a perturbation estimate that gives an accurate first-order approximation of a flux or reaction rate within a radioactive system when the boundary is perturbed. When the response of interest is the flux or leakage current on the boundary, the Roussopoulos perturbation estimate has long been used. The Rahnema and Roussopoulos estimates differ in one term. Our paper shows that the Rahnema and Roussopoulos estimates can be derived consistently, using different responses, from a single variational functional (due to Gheorghiu and Rahnema), resolving any apparent contradiction. In analyticmore » test problems, Rahnema’s estimate and the Roussopoulos estimate produce exact first derivatives of the response of interest when appropriately applied. We also present a realistic, nonanalytic test problem.« less

Groundwater Flow Model of Corrective Action Units 101 and 102: Central and Western Pahute Mesa, Nevada Test Site, Nye County, Nevada, Revision 0

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

Greg Ruskauff

2006-06-01

The Pahute Mesa groundwater flow model supports the FFACO UGTA corrective action strategy objective of providing an estimate of the vertical and horizontal extent of contaminant migration for each CAU in order to predict contaminant boundaries. A contaminant boundary is the model-predicted perimeter that defines the extent of radionuclide-contaminated groundwater from underground nuclear testing above background conditions exceeding Safe Drinking Water Act (SDWA) standards. The contaminant boundary will be composed of both a perimeter boundary and a lower hydrostratigraphic unit (HSU) boundary. Additional results showing contaminant concentrations and the location of the contaminant boundary at selected times will also bemore » presented. These times may include the verification period, the end of the five-year proof-of-concept period, as well as other times that are of specific interest. The FFACO (1996) requires that the contaminant transport model predict the contaminant boundary at 1,000 years and “at a 95% level of confidence.” The Pahute Mesa Phase I flow model described in this report provides, through the flow fields derived from alternative hydrostratigraphic framework models (HFMs) and recharge models, one part of the data required to compute the contaminant boundary. Other components include the simplified source term model, which incorporates uncertainty and variability in the factors that control radionuclide release from an underground nuclear test (SNJV, 2004a), and the transport model with the concomitant parameter uncertainty as described in Shaw (2003). The uncertainty in all the above model components will be evaluated to produce the final contaminant boundary. This report documents the development of the groundwater flow model for the Central and Western Pahute Mesa CAUs.« less

Determination of baryon-baryon elastic scattering phase shift from finite volume spectra in elongated boxes

NASA Astrophysics Data System (ADS)

Li, Ning; Wu, Ya-Jie; Liu, Zhan-Wei

2018-01-01

The relations between the baryon-baryon elastic scattering phase shifts and the two-particle energy spectrum in the elongated box are established. We studied the cases with both the periodic boundary condition and twisted boundary condition in the center of mass frame. The framework is also extended to the system of nonzero total momentum with periodic boundary condition in the moving frame. Moreover, we discussed the sensitivity functions σ (q ) that represent the sensitivity of higher scattering phases. Our analytical results will be helpful to extract the baryon-baryon elastic scattering phase shifts in the continuum from lattice QCD data by using elongated boxes.

Phase transformations during aging of a nitrogen-strengthened austenitic stainless steel

NASA Astrophysics Data System (ADS)

Ritter, Ann M.; Henry, Michael F.

1985-10-01

An analytical electron microscopy study was undertaken in order to characterize intergranular and matrix precipitation accompanying intermediate temperature aging in NITRONIC 50, a nitrogen-strengthened austenitic stainless steel. Extensive precipitation on most grain boundaries had occurred after aging for 24 hours at 675 °C. The primary intergranular phase at that time was Cr-rich M23C6, and energy dispersive spectra taken on grain boundary segments between these carbides indicated Cr-depletion and Fe- and Ni-enhancement relative to the matrix. After aging for 336 and 1008 hours at 675 °C, M6C (eta-carbide) precipitates were also present on grain boundaries. These precipitates were distinguished from M23C6 on the basis of their lattice parameters and chemistries, with M6C containing less Cr and Fe, and more Ni, Mo, and Si than M23C6. The differences in chemistry were clarified by a statistical treatment of the spectra. The statistical analysis also showed that precipitates with a range of chemistries between M23C6 and M6C coexisted with these phases on the grain boundaries. Associated with this shift in precipitate stoichiometry was an increase in the average concentration of Cr and a decrease in the average concentration of Ni at the grain boundaries. Intergranular sigma phase was also observed after times 24 hours at 675 °C, with sigma precipitating on grain boundaries containing carbides. Intragranular precipitates observed to be stable up to 1008 hours at 675 °C included Z-phase, a complex nitride which had formed during solution annealing; M7C3 carbides, which nucleated at Z-phase/austenite interfaces; M23C6 carbides, which precipitated on incoherent twin boundaries; and Cr-rich MN precipitates, which nucleated on dislocations.

Revisiting the origin and diversification of vascular plants through a comprehensive Bayesian analysis of the fossil record.

PubMed

Silvestro, Daniele; Cascales-Miñana, Borja; Bacon, Christine D; Antonelli, Alexandre

2015-07-01

Plants have a long evolutionary history, during which mass extinction events dramatically affected Earth's ecosystems and its biodiversity. The fossil record can shed light on the diversification dynamics of plant life and reveal how changes in the origination-extinction balance have contributed to shaping the current flora. We use a novel Bayesian approach to estimate origination and extinction rates in plants throughout their history. We focus on the effect of the 'Big Five' mass extinctions and on estimating the timing of origin of vascular plants, seed plants and angiosperms. Our analyses show that plant diversification is characterized by several shifts in origination and extinction rates, often matching the most important geological boundaries. The estimated origin of major plant clades predates the oldest macrofossils when considering the uncertainties associated with the fossil record and the preservation process. Our findings show that the commonly recognized mass extinctions have affected each plant group differently and that phases of high extinction often coincided with major floral turnovers. For instance, after the Cretaceous-Paleogene boundary we infer negligible shifts in diversification of nonflowering seed plants, but find significantly decreased extinction in spore-bearing plants and increased origination rates in angiosperms, contributing to their current ecological and evolutionary dominance. © 2015 The Authors. New Phytologist © 2015 New Phytologist Trust.

Lithospheric strength in the active boundary between the Pacific Plate and Baja California microplate constrained from lower crustal and upper mantle xenoliths

NASA Astrophysics Data System (ADS)

Chatzaras, Vasileios; van der Werf, Thomas; Kriegsman, Leo M.; Kronenberg, Andreas; Tikoff, Basil; Drury, Martyn R.

2017-04-01

The lower crust is the most poorly understood of the lithospheric layers in terms of its rheology, particularly at active plate boundaries. We studied naturally deformed lower crustal xenoliths within an active plate boundary, in order to link their microstructures and rheological parameters to the well-defined active tectonic context. The Baja California shear zone (BCSZ), located at the western boundary of the Baja California microplate, comprises the active boundary accommodating the relative motion between the Pacific plate and Baja California microplate. The basalts of the Holocene San Quintin volcanic field carry lower crustal and upper mantle xenoliths, which sample the Baja California microplate lithosphere in the vicinity of the BCSZ. The lower crustal xenoliths range from undeformed gabbros to granoblastic two-pyroxene granulites. Two-pyroxene geothermometry shows that the granulites equilibrated at temperatures of 690-920 oC. Phase equilibria (P-T pseudosections using Perple_X) indicate that symplectites with intergrown pyroxenes, plagioclase, olivine and spinel formed at 3.6-5.4 kbar, following decompression from pressures exceeding 6 kbar. FTIR spectroscopy shows that the water content of plagioclase varies among the analyzed xenoliths; plagioclase is relatively dry in two xenoliths while one xenolith contains hydrated plagioclase grains. Microstructural observations and analysis of the crystallographic texture provide evidence for deformation of plagioclase by a combination of dislocation creep and grain boundary sliding. To constrain the strength of the lower crust and upper mantle near the BCSZ we estimated the differential stress using plagioclase and olivine grain size paleopiezomtery, respectively. Differential stress estimates for plagioclase range from 10 to 32 MPa and for olivine are 30 MPa. Thus the active microplate boundary records elevated crustal temperatures, heterogeneous levels of hydration, and low strength in both the lower crust and upper mantle. To further investigate the relative strength of the two lithospheric layers, we calculated the strain rate of plagioclase in granulites and the strain rate of olivine in lherzolites using experimental flow laws. These flow laws predict that plagioclase deforms at higher strain rates than olivine. Our data provide constraints on the viscosity structure of active transform plate boundaries and insights on how rheological processes in the lithosphere may change during plate boundary evolution.

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

Jensen, Brian James

There is a scientific need to obtain new data to constrain and refine next generation multi-phase equation-of-state (EOS) for metals. Experiments are needed to locate phase boundaries, determine transition kinetic times, and to obtain EOS and Hugoniot data for relevant phases. The objectives of the current work was to examine the multiphase properties for cerium including the dynamic melt boundary and the low-pressure solid-solid phase transition through the critical point. These objectives were addressed by performing plate impact experiment that used multiple experimental configuration including front-surface impact experiments to directly measure transition kinetics, multislug experiments that used the overtake methodmore » to measure sound speeds at pressure, and preheat experiments to map out phase boundaries. Preliminary data and analysis obtained for cerium will be presented.« less

3D Orthorhombic Elastic Wave Propagation Pre-Test Simulation of SPE DAG-1 Test

NASA Astrophysics Data System (ADS)

Jensen, R. P.; Preston, L. A.

2017-12-01

A more realistic representation of many geologic media can be characterized as a dense system of vertically-aligned microfractures superimposed on a finely-layered horizontal geology found in shallow crustal rocks. This seismic anisotropy representation lends itself to being modeled as an orthorhombic elastic medium comprising three mutually orthogonal symmetry planes containing nine independent moduli. These moduli can be determined by observing (or prescribing) nine independent P-wave and S-wave phase speeds along different propagation directions. We have developed an explicit time-domain finite-difference (FD) algorithm for simulating 3D elastic wave propagation in a heterogeneous orthorhombic medium. The components of the particle velocity vector and the stress tensor are governed by a set of nine, coupled, first-order, linear, partial differential equations (PDEs) called the velocity-stress system. All time and space derivatives are discretized with centered and staggered FD operators possessing second- and fourth-order numerical accuracy, respectively. Additionally, we have implemented novel perfectly matched layer (PML) absorbing boundary conditions, specifically designed for orthorhombic media, to effectively suppress grid boundary reflections. In support of the Source Physics Experiment (SPE) Phase II, a series of underground chemical explosions at the Nevada National Security Site, the code has been used to perform pre-test estimates of the Dry Alluvium Geology - Experiment 1 (DAG-1). Based on literature searches, realistic geologic structure and values for orthorhombic P-wave and S-wave speeds have been estimated. Results and predictions from the simulations are presented.

Obtaining phase velocity of turbulent boundary layer pressure fluctuations at high subsonic Mach number from wind tunnel data affected by strong background noise

NASA Astrophysics Data System (ADS)

Haxter, Stefan; Brouwer, Jens; Sesterhenn, Jörn; Spehr, Carsten

2017-08-01

Boundary layer measurements at high subsonic Mach number are evaluated in order to obtain the dominant phase velocities of boundary layer pressure fluctuations. The measurements were performed in a transonic wind tunnel which had a very strong background noise. The phase velocity was taken from phase inclination and from the convective peak in one- and two-dimensional wavenumber spectra. An approach was introduced to remove the acoustic noise from the data by applying a method based on CLEAN-SC on the two-dimensional spectra, thereby increasing the frequency range where information about the boundary layer was retrievable. A comparison with prediction models showed some discrepancies in the low-frequency range. Therefore, pressure data from a DNS calculation was used to substantiate the results of the analysis in this frequency range. Using the measured data, the DNS results and a review of the models used for comparison it was found that the phase velocity decreases at low frequencies.

Enhancing grain boundary ionic conductivity in mixed ionic–electronic conductors

DOE PAGES

Lin, Ye; Fang, Shumin; Su, Dong; ...

2015-04-10

Mixed ionic–electronic conductors are widely used in devices for energy conversion and storage. Grain boundaries in these materials have nanoscale spatial dimensions, which can generate substantial resistance to ionic transport due to dopant segregation. Here, we report the concept of targeted phase formation in a Ce 0.8Gd 0.2O 2₋δ–CoFe 2O 4 composite that serves to enhance the grain boundary ionic conductivity. Using transmission electron microscopy and spectroscopy approaches, we probe the grain boundary charge distribution and chemical environments altered by the phase reaction between the two constituents. The formation of an emergent phase successfully avoids segregation of the Gd dopantmore » and depletion of oxygen vacancies at the Ce 0.8Gd 0.2O 2₋δ–Ce 0.8Gd 0.2O 2₋δ grain boundary. This results in superior grain boundary ionic conductivity as demonstrated by the enhanced oxygen permeation flux. Lastly, this work illustrates the control of mesoscale level transport properties in mixed ionic–electronic conductor composites through processing induced modifications of the grain boundary defect distribution.« less

Enhancing grain boundary ionic conductivity in mixed ionic–electronic conductors

PubMed Central

Lin, Ye; Fang, Shumin; Su, Dong; Brinkman, Kyle S; Chen, Fanglin

2015-01-01

Mixed ionic–electronic conductors are widely used in devices for energy conversion and storage. Grain boundaries in these materials have nanoscale spatial dimensions, which can generate substantial resistance to ionic transport due to dopant segregation. Here, we report the concept of targeted phase formation in a Ce0.8Gd0.2O2−δ–CoFe2O4 composite that serves to enhance the grain boundary ionic conductivity. Using transmission electron microscopy and spectroscopy approaches, we probe the grain boundary charge distribution and chemical environments altered by the phase reaction between the two constituents. The formation of an emergent phase successfully avoids segregation of the Gd dopant and depletion of oxygen vacancies at the Ce0.8Gd0.2O2−δ–Ce0.8Gd0.2O2−δ grain boundary. This results in superior grain boundary ionic conductivity as demonstrated by the enhanced oxygen permeation flux. This work illustrates the control of mesoscale level transport properties in mixed ionic–electronic conductor composites through processing induced modifications of the grain boundary defect distribution. PMID:25857355

Enhancing grain boundary ionic conductivity in mixed ionic-electronic conductors.

PubMed

Lin, Ye; Fang, Shumin; Su, Dong; Brinkman, Kyle S; Chen, Fanglin

2015-04-10

Mixed ionic-electronic conductors are widely used in devices for energy conversion and storage. Grain boundaries in these materials have nanoscale spatial dimensions, which can generate substantial resistance to ionic transport due to dopant segregation. Here, we report the concept of targeted phase formation in a Ce0.8Gd0.2O2-δ-CoFe2O4 composite that serves to enhance the grain boundary ionic conductivity. Using transmission electron microscopy and spectroscopy approaches, we probe the grain boundary charge distribution and chemical environments altered by the phase reaction between the two constituents. The formation of an emergent phase successfully avoids segregation of the Gd dopant and depletion of oxygen vacancies at the Ce0.8Gd0.2O2-δ-Ce0.8Gd0.2O2-δ grain boundary. This results in superior grain boundary ionic conductivity as demonstrated by the enhanced oxygen permeation flux. This work illustrates the control of mesoscale level transport properties in mixed ionic-electronic conductor composites through processing induced modifications of the grain boundary defect distribution.

Enhancing grain boundary ionic conductivity in mixed ionic–electronic conductors

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

Lin, Ye; Fang, Shumin; Su, Dong

Mixed ionic–electronic conductors are widely used in devices for energy conversion and storage. Grain boundaries in these materials have nanoscale spatial dimensions, which can generate substantial resistance to ionic transport due to dopant segregation. Here, we report the concept of targeted phase formation in a Ce 0.8Gd 0.2O 2₋δ–CoFe 2O 4 composite that serves to enhance the grain boundary ionic conductivity. Using transmission electron microscopy and spectroscopy approaches, we probe the grain boundary charge distribution and chemical environments altered by the phase reaction between the two constituents. The formation of an emergent phase successfully avoids segregation of the Gd dopantmore » and depletion of oxygen vacancies at the Ce 0.8Gd 0.2O 2₋δ–Ce 0.8Gd 0.2O 2₋δ grain boundary. This results in superior grain boundary ionic conductivity as demonstrated by the enhanced oxygen permeation flux. Lastly, this work illustrates the control of mesoscale level transport properties in mixed ionic–electronic conductor composites through processing induced modifications of the grain boundary defect distribution.« less

PockDrug: A Model for Predicting Pocket Druggability That Overcomes Pocket Estimation Uncertainties.

PubMed

Borrel, Alexandre; Regad, Leslie; Xhaard, Henri; Petitjean, Michel; Camproux, Anne-Claude

2015-04-27

Predicting protein druggability is a key interest in the target identification phase of drug discovery. Here, we assess the pocket estimation methods' influence on druggability predictions by comparing statistical models constructed from pockets estimated using different pocket estimation methods: a proximity of either 4 or 5.5 Å to a cocrystallized ligand or DoGSite and fpocket estimation methods. We developed PockDrug, a robust pocket druggability model that copes with uncertainties in pocket boundaries. It is based on a linear discriminant analysis from a pool of 52 descriptors combined with a selection of the most stable and efficient models using different pocket estimation methods. PockDrug retains the best combinations of three pocket properties which impact druggability: geometry, hydrophobicity, and aromaticity. It results in an average accuracy of 87.9% ± 4.7% using a test set and exhibits higher accuracy (∼5-10%) than previous studies that used an identical apo set. In conclusion, this study confirms the influence of pocket estimation on pocket druggability prediction and proposes PockDrug as a new model that overcomes pocket estimation variability.

A missing element of the deep carbon cycle: CO2 degassing estimates from rift length analysis during Pangea fragmentation

NASA Astrophysics Data System (ADS)

Brune, S.; Williams, S.; Müller, D.

2016-12-01

The deep carbon cycle connects CO2 within the atmosphere and oceans to the vast CO2 reservoir in Earth's mantle: subducted lithosphere carries CO2 into the mantle, while extensional plate boundaries and arc volcanoes release it back to Earth's surface. The length of plate boundaries thereby exerts first-order control on global CO2 fluxes on geological time scales. Here we provide a worldwide census of extensional plate boundary length from the Triassic to present day, in one million year time intervals, using a novel analysis technique (Brune et al. 2016, Nature, doi:10.1038/nature18319). The most extensive rift phase during the fragmentation of Pangea occurred in the Cretaceous with extension along the South Atlantic (9700 km) and North Atlantic rifts (9100 km), within East Gondwana (8500 km), and the failed African rift systems (4900 km). The combined extent of these and several smaller rifts amounts to more than 30.000 km of simultaneously active continental rifting. It is well-accepted that volcanoes at plate boundaries release large amounts of CO2 from the Earth's interior. Recent work, however, revealed the importance of deep-cutting faults and diffuse degassing on CO2 emissions in the East African rift (Lee et al. 2016, Nature Geoscience, doi: 10.1038/ngeo2622). Upscaling these measured CO2 fluxes to all concurrently active global rift zones, we compute first-order estimates of total rift-related CO2 degassing rates for the last 240 Myr. Our results show that rift-related CO2 release rates may have reached 600 Mt/yr in the Early Cretaceous, while Cenozoic rates rarely exceeded 200 Mt/yr. By comparison, present-day estimates of CO2 release at mid-ocean ridges range between 53 and 97 Mt/yr. We suggest that rift-related degassing during supercontinental breakup played a major role in maintaining high atmospheric CO2 concentrations through Mesozoic times, which exceeded Quaternary values by 400%.

Electric-field-dependent phase volume fractions and enhanced piezoelectricity near the polymorphic phase boundary of (K0.5Na0.5)1-xLixNbO3 textured ceramics

NASA Astrophysics Data System (ADS)

Ge, Wenwei; Li, Jiefang; Viehland, D.; Chang, Yunfei; Messing, Gary L.

2011-06-01

The structure, ferroelectric and piezoelectric properties of <001> textured (K0.5Na0.5)0.98Li0.02NbO3 ceramics were investigated as a function of temperature and dc bias E. X-ray diffraction revealed an orthorhombic (O) → tetragonal (T) polymorphic phase boundary (PPB). Phase coexistence was found near the PPB over a 30 °C temperature range, where the relative phase volume fractions changed with temperature. Furthermore, increasing E applied along the <001> texture direction resulted in a notable increase in the volume fraction of the T phase at the expense of the O phase, effectively shifting the O → T boundary to lower temperature. An enhancement in the piezoelectric properties was found to accompany this increase in the T volume fraction.

A boundary condition for layer to level ocean model interaction

NASA Astrophysics Data System (ADS)

Mask, A.; O'Brien, J.; Preller, R.

2003-04-01

A radiation boundary condition based on vertical normal modes is introduced to allow a physical transition between nested/coupled ocean models that are of differing vertical structure and/or differing physics. In this particular study, a fine resolution regional/coastal sigma-coordinate Naval Coastal Ocean Model (NCOM) has been successfully nested to a coarse resolution (in the horizontal and vertical) basin scale NCOM and a coarse resolution basin scale Navy Layered Ocean Model (NLOM). Both of these models were developed at the Naval Research Laboratory (NRL) at Stennis Space Center, Mississippi, USA. This new method, which decomposes the vertical structure of the models into barotropic and baroclinic modes, gives improved results in the coastal domain over Orlanski radiation boundary conditions for the test cases. The principle reason for the improvement is that each mode has the radiation boundary condition applied individually; therefore, the packet of information passing through the boundary is allowed to have multiple phase speeds instead of a single-phase speed. Allowing multiple phase speeds reduces boundary reflections, thus improving results.

Single particle nonlocality, geometric phases and time-dependent boundary conditions

NASA Astrophysics Data System (ADS)

Matzkin, A.

2018-03-01

We investigate the issue of single particle nonlocality in a quantum system subjected to time-dependent boundary conditions. We discuss earlier claims according to which the quantum state of a particle remaining localized at the center of an infinite well with moving walls would be specifically modified by the change in boundary conditions due to the wall’s motion. We first prove that the evolution of an initially localized Gaussian state is not affected nonlocally by a linearly moving wall: as long as the quantum state has negligible amplitude near the wall, the boundary motion has no effect. This result is further extended to related confined time-dependent oscillators in which the boundary’s motion is known to give rise to geometric phases: for a Gaussian state remaining localized far from the boundaries, the effect of the geometric phases is washed out and the particle dynamics shows no traces of a nonlocal influence that would be induced by the moving boundaries.

Generation of net sediment transport by velocity skewness in oscillatory sheet flow

NASA Astrophysics Data System (ADS)

Chen, Xin; Li, Yong; Chen, Genfa; Wang, Fujun; Tang, Xuelin

2018-01-01

This study utilizes a qualitative approach and a two-phase numerical model to investigate net sediment transport caused by velocity skewness beneath oscillatory sheet flow and current. The qualitative approach is derived based on the pseudo-laminar approximation of boundary layer velocity and exponential approximation of concentration. The two-phase model can obtain well the instantaneous erosion depth, sediment flux, boundary layer thickness, and sediment transport rate. It can especially illustrate the difference between positive and negative flow stages caused by velocity skewness, which is considerably important in determining the net boundary layer flow and sediment transport direction. The two-phase model also explains the effect of sediment diameter and phase-lag to sediment transport by comparing the instantaneous-type formulas to better illustrate velocity skewness effect. In previous studies about sheet flow transport in pure velocity-skewed flows, net sediment transport is only attributed to the phase-lag effect. In the present study with the qualitative approach and two-phase model, phase-lag effect is shown important but not sufficient for the net sediment transport beneath pure velocity-skewed flow and current, while the asymmetric wave boundary layer development between positive and negative flow stages also contributes to the sediment transport.

Statistical study of auroral omega bands

NASA Astrophysics Data System (ADS)

Partamies, Noora; Weygand, James M.; Juusola, Liisa

2017-09-01

The presence of very few statistical studies on auroral omega bands motivated us to test-use a semi-automatic method for identifying large-scale undulations of the diffuse aurora boundary and to investigate their occurrence. Five identical all-sky cameras with overlapping fields of view provided data for 438 auroral omega-like structures over Fennoscandian Lapland from 1996 to 2007. The results from this set of omega band events agree remarkably well with previous observations of omega band occurrence in magnetic local time (MLT), lifetime, location between the region 1 and 2 field-aligned currents, as well as current density estimates. The average peak emission height of omega forms corresponds to the estimated precipitation energies of a few keV, which experienced no significant change during the events. Analysis of both local and global magnetic indices demonstrates that omega bands are observed during substorm expansion and recovery phases that are more intense than average substorm expansion and recovery phases in the same region. The omega occurrence with respect to the substorm expansion and recovery phases is in a very good agreement with an earlier observed distribution of fast earthward flows in the plasma sheet during expansion and recovery phases. These findings support the theory that omegas are produced by fast earthward flows and auroral streamers, despite the rarity of good conjugate observations.

Grain size dependent phase stabilities and presence of a monoclinic (Pm) phase in the morphotropic phase boundary region of (1−x)Bi(Mg{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} piezoceramics

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

Upadhyay, Ashutosh; Singh, Akhilesh Kumar, E-mail: akhilesh-bhu@yahoo.com, E-mail: aksingh.mst@itbhu.ac.in

2015-04-14

Results of the room temperature structural studies on (1−x)Bi(Mg{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} ceramics using Rietveld analysis of the powder x-ray diffraction data in the composition range 0.28 ≤ x ≤ 0.45 are presented. The morphotropic phase boundary region exhibits coexistence of monoclinic (space group Pm) and tetragonal (space group P4 mm) phases in the composition range 0.33 ≤ x ≤ 0.40. The structure is nearly single phase monoclinic (space group Pm) in the composition range 0.28 ≤ x ≤ 0.32. The structure for the compositions with x ≥ 0.45 is found to be predominantly tetragonal with space group P4 mm. Rietveld refinement of the structure rules out the coexistence of rhombohedral and tetragonal phases inmore » the morphotropic phase boundary region reported by earlier authors. The Rietveld structure analysis for the sample x = .35 calcined at various temperatures reveals that phase fraction of the coexisting phases in the morphotropic phase boundary region varies with grain size. The structural parameters of the two coexisting phases also change slightly with changing grain size.« less

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

Zhai, Hua; Zhang, Jialin, E-mail: jialinzhang@hunnu.edu.cn; Yu, Hongwei, E-mail: hwyu@hunnu.edu.cn

We study the geometric phase of a uniformly accelerated two-level atom coupled with vacuum fluctuations of electromagnetic fields in the presence of a perfectly reflecting plane. We find that the geometric phase difference between the accelerated and inertial atoms which can be observed by atom interferometry crucially depends on the polarizability of the atom and the distance to the boundary and it can be dramatically manipulated with anisotropically polarizable atoms. In particular, extremely close to the boundary, the phase difference can be increased by two times as compared to the case without any boundary. So, the detectability of the effectsmore » associated with acceleration using an atom interferometer can be significantly increased by the presence of a boundary using atoms with anisotropic polarizability.« less

Entanglement and area law with a fractal boundary in a topologically ordered phase

NASA Astrophysics Data System (ADS)

Hamma, Alioscia; Lidar, Daniel A.; Severini, Simone

2010-01-01

Quantum systems with short-range interactions are known to respect an area law for the entanglement entropy: The von Neumann entropy S associated to a bipartition scales with the boundary p between the two parts. Here we study the case in which the boundary is a fractal. We consider the topologically ordered phase of the toric code with a magnetic field. When the field vanishes it is possible to analytically compute the entanglement entropy for both regular and fractal bipartitions (A,B) of the system and this yields an upper bound for the entire topological phase. When the A-B boundary is regular we have S/p=1 for large p. When the boundary is a fractal of the Hausdorff dimension D, we show that the entanglement between the two parts scales as S/p=γ⩽1/D, and γ depends on the fractal considered.

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.

Piezo-/dielectric properties of perovskite-structure high-temperature relaxor ferroelectrics: The Pb(Lu{sub 1/2}Nb{sub 1/2})O{sub 3}–Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–PbTiO{sub 3} ternary ceramics

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

Li, Tao; University of Chinese Academy of Sciences, Beijing 100049; Long, Xifa, E-mail: lxf@fjirsm.ac.cn

2014-03-01

Graphical abstract: - Highlights: • Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}-based ternary ferroelectric ceramics were prepared by solid-state synthesis method. • Morphotropic phase boundary region has been determined by XRD, di-/piezoelectric properties. • The compositions near MPB region exhibit excellent piezoelectric properties. - Abstract: A new compositional system of relaxor ferroelectrics was investigated based on the high piezoelectricity Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–PbTiO{sub 3} ferroelectric perovskite family. Compositions were fabricated near an estimated morphotropic phase boundary (MPB) of the Pb(Lu{sub 1/2}Nb{sub 1/2})O{sub 3}–Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–PbTiO{sub 3} (PLZNT) ternary system by a two-step synthetic process. Their structures have been analyzed by means ofmore » X-ray diffraction technique. On the basis of X-ray powder diffraction, the morphotropic phase boundary (MPB) region for the ternary system was obtained. The Curie temperature T{sub C} of ternary system varied from 240 °C to 330 °C and the coercive fields E{sub c}s > 10 kV/cm. The values of piezoelectric coefficients d{sub 33} vary in the range of 260–450 pC/N with different PZN contents. It is worth noting that the optimum compositions were located at MPB region but near the tetragonal phase. The new PLZNT ceramics exhibit wider range of T{sub C}s and E{sub c}s, making it a promising material for high-powder ultrasound transducers using in a large temperature range.« less

Reconsideration of F-layer seismic model in the south polar region

NASA Astrophysics Data System (ADS)

Ohtaki, T.; Kaneshima, S.

2017-12-01

Previously, we analyzed the seismic structure near the inner core boundary beneath Antarctica (Ohtaki et al., 2012). In the study, we determined the velocity of the lowermost outer core (F-layer) using amplitude ratio observations between the inner-core phase (PKIKP) and the inner-core grazing/diffracted phase (PKPbc/c-diff). Because the observations are not so sensitive to the F-layer structure, a constant velocity is assumed in the layer to simplify the model. The obtained model (SPR) has a flat velocity zone with a 75 km thick on the inner core boundary. With this F-layer structure and using travel times of these phases as well as the phase that reflects at the boundary, we determined the seismic structure of the inner core in the south polar region. However, a constant velocity layer is unrealistic, although it is reasonable assumption.Recently, we determined F-layer velocity structures more accurately using the combined observations of PKiKP-PKPbc differential travel times and of PKPbc/c-diff dispersion (Ohtaki et al., 2015, 2016). The former observation is sensitive to average velocity in the F-layer; the latter to velocity gradient in the layer. By analyzing these two observations together, we can determine the detailed velocity structure in the F-layer. The surveyed areas are beneath the Northeast Pacific and Australia. The seismic velocity models obtained are quite different between the two regions. Thus our results require laterally heterogeneous F-layer, and show that F-layer is more complicated than we ever imagined.Then there is one question; which structure is that of the south polar region close to? Unfortunately, the seismic waveforms that we analyzed in the previous study may not have quality high enough to analyze the PKiKP-PKPbc or PKPbc dispersion. However, it would be meaningful to reanalyze the amplitude data and reconsider the F-layer velocity there. And we also estimate how large slope of velocity can be acceptable for the F-layer velocity structure in this region.

Pore and grain boundary migration under a temperature gradient: A phase-field model study

DOE PAGES

Biner, S. B.

2016-03-16

In this study, the collective migration behavior of pores and grain boundaries under a temperature gradient is studied for simple single crystal, bi-crystal and polycrystal configurations with a phase-field model formulism. For simulation of the microstructure of solids, composed of pores and grain boundaries, the results indicate that not only the volume fraction of pores, but also its spatial partitioning between the grain boundary junctions and the grain boundary segments appears to be important. In addition to various physical properties, the evolution kinetics, under given temperature gradients, will be strongly influenced with the initial morphology of a poly-crystalline microstructure.

The role of guessing and boundaries on date estimation biases.

PubMed

Lee, Peter James; Brown, Norman R

2004-08-01

This study investigates the causes of event-dating biases. Two hundred participants provided knowledge ratings and date estimates for 64 news events. Four independent groups dated the same events under different boundary constraints. Analysis across all responses showed that forward telescoping decreased with boundary age, concurring with the boundary-effects model. With guesses removed from the data set, backward telescoping was greatly reduced, but forward telescoping was unaffected by boundaries. This dissociation indicates that multiple factors (e.g., guessing and reconstructive strategies) are responsible for different dating biases and argue against a boundary explanation of forward telescoping.

FAQ-HDSC/OWP

Science.gov Websites

improve transition, they will be different from the ones published on the PFDS around volumes' boundaries . 2.7 Why do I see inconsistencies in some NOAA Atlas 14 estimates at boundaries of different NOAA Atlas different times in volumes based on state boundaries, some differences in estimates between volumes at

In situ TEM study of G-phase precipitates under heavy ion irradiation in CF8 cast austenitic stainless steel

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

Chen, Wei-Ying; Li, Meimei; Zhang, Xuan

2015-09-01

Thermally-aged cast austenitic stainless steels (CASS) CF8 was irradiated with 1 MeV Kr ions at 300, 350 and 400°C to 1.88x10^15 ions/cm2 (~3 dpa) at the IVEM-Tandem Facility at the Argonne National Laboratory. Before irradiation, the distribution of G-phase precipitates in the ferrite showed strong spatial variations, and both their size and density were affected by the ferrite-austenite phase boundary and presence of M23C6 carbides. Under 300°C irradiation, in-situ TEM observation showed G-phase precipitates were relatively unchanged in the vicinity of the phase boundary M23C6 carbides, while the density of G-phase precipitates increased with increasing dose within the ferrite matrix.more » Coarsening of G-phase precipitates was observed in the vicinity of phase boundary M23C6 carbides at 350°C and 400°C.« less

Precipitation in AISI 316L(N) during creep tests at 550 and 600 °C up to 10 years

NASA Astrophysics Data System (ADS)

Padilha, A. F.; Escriba, D. M.; Materna-Morris, E.; Rieth, M.; Klimenkov, M.

2007-05-01

The precipitation behaviour in the gauge lengths and in the heads of initially solution annealed type 316L(N) austenitic stainless steel specimens tested in creep at 550 and 600 °C for periods of up to 85 000 h has been studied using several metallographic techniques. Three phases were detected: M 23C 6, Laves, and sigma phase. The volume fraction of the precipitated sigma phase was significantly higher than that of carbides and the Laves phase. M 23C 6 carbide precipitation occurred very rapidly and was followed by the sigma and Laves phases formation in the delta ferrite islands. Sigma and Laves phases precipitated at grain boundaries after longer times. Two different mechanisms of sigma phase precipitation have been proposed, one for delta ferrite decomposition and another for grain boundary precipitation. Small quantities of the Laves phase were detected in delta ferrite, at grain boundaries and inside the grains.

In situ TEM study of G-phase precipitates under heavy ion irradiation in CF8 cast austenitic stainless steel

NASA Astrophysics Data System (ADS)

Chen, Wei-Ying; Li, Meimei; Zhang, Xuan; Kirk, Marquis A.; Baldo, Peter M.; Lian, Tiangan

2015-09-01

Thermally-aged cast austenitic stainless steels (CASS) CF8 was irradiated with 1 MeV Kr ions at 300, 350 and 400 °C to 1.88 × 1019 ions/m2 (∼3 dpa) at the IVEM-Tandem Facility at the Argonne National Laboratory. Before irradiation, the distribution of G-phase precipitates in the ferrite showed spatial variations, and both their size and density were affected by the ferrite-austenite phase boundary and presence of M23C6 carbides. Under 300 °C irradiation, in situ TEM observation showed G-phase precipitates were relatively unchanged in the vicinity of the phase boundary M23C6 carbides, while the density of G-phase precipitates increased with increasing dose within the ferrite matrix. Coarsening of G-phase precipitates was observed in the vicinity of phase boundary M23C6 carbides at 350 °C and 400 °C.

Investigating the Importance of the Pocket-estimation Method in Pocket-based Approaches: An Illustration Using Pocket-ligand Classification.

PubMed

Caumes, Géraldine; Borrel, Alexandre; Abi Hussein, Hiba; Camproux, Anne-Claude; Regad, Leslie

2017-09-01

Small molecules interact with their protein target on surface cavities known as binding pockets. Pocket-based approaches are very useful in all of the phases of drug design. Their first step is estimating the binding pocket based on protein structure. The available pocket-estimation methods produce different pockets for the same target. The aim of this work is to investigate the effects of different pocket-estimation methods on the results of pocket-based approaches. We focused on the effect of three pocket-estimation methods on a pocket-ligand (PL) classification. This pocket-based approach is useful for understanding the correspondence between the pocket and ligand spaces and to develop pharmacological profiling models. We found pocket-estimation methods yield different binding pockets in terms of boundaries and properties. These differences are responsible for the variation in the PL classification results that can have an impact on the detected correspondence between pocket and ligand profiles. Thus, we highlighted the importance of the pocket-estimation method choice in pocket-based approaches. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Determining the composition of small features in atom probe: bcc Cu-rich precipitates in an Fe-rich matrix.

PubMed

Morley, A; Sha, G; Hirosawa, S; Cerezo, A; Smith, G D W

2009-04-01

Aberrations in the ion trajectories near the specimen surface are an important factor in the spatial resolution of the atom probe technique. Near the boundary between two phases with dissimilar evaporation fields, ion trajectory overlaps may occur, leading to a biased measurement of composition in the vicinity of this interface. In the case of very small second-phase precipitates, the region affected by trajectory overlaps may extend to the centre of the precipitate prohibiting a direct measurement of composition. A method of quantifying the aberrant matrix contribution and thus estimating the underlying composition is presented. This method is applied to the Fe-Cu-alloy system, where the precipitation of low-nanometre size Cu-rich precipitates is of considerable technical importance in a number of materials applications. It is shown definitively that there is a non-zero underlying level of Fe within precipitates formed upon thermal ageing, which is augmented and masked by trajectory overlaps. The concentration of Fe in the precipitate phase is shown to be a function of ageing temperature. An estimate of the underlying Fe level is made, which is at lower levels than commonly reported by atom probe investigations.

Exponential Boundary Observers for Pressurized Water Pipe

NASA Astrophysics Data System (ADS)

Hermine Som, Idellette Judith; Cocquempot, Vincent; Aitouche, Abdel

2015-11-01

This paper deals with state estimation on a pressurized water pipe modeled by nonlinear coupled distributed hyperbolic equations for non-conservative laws with three known boundary measures. Our objective is to estimate the fourth boundary variable, which will be useful for leakage detection. Two approaches are studied. Firstly, the distributed hyperbolic equations are discretized through a finite-difference scheme. By using the Lipschitz property of the nonlinear term and a Lyapunov function, the exponential stability of the estimation error is proven by solving Linear Matrix Inequalities (LMIs). Secondly, the distributed hyperbolic system is preserved for state estimation. After state transformations, a Luenberger-like PDE boundary observer based on backstepping mathematical tools is proposed. An exponential Lyapunov function is used to prove the stability of the resulted estimation error. The performance of the two observers are shown on a water pipe prototype simulated example.

Removal of NOx and NOy in biomass burning plumes in the boundary layer over northern Australia

NASA Astrophysics Data System (ADS)

Takegawa, N.; Kondo, Y.; Koike, M.; Ko, M.; Kita, K.; Blake, D. R.; Nishi, N.; Hu, W.; Liley, J. B.; Kawakami, S.; Shirai, T.; Miyazaki, Y.; Ikeda, H.; Russel-Smith, J.; Ogawa, T.

2003-05-01

The Biomass Burning and Lightning Experiment Phase B (BIBLE-B) aircraft measurement campaign was conducted over the western Pacific and Australia in August and September 1999. In situ aircraft measurements of carbon monoxide (CO), nitric oxide (NO), total reactive nitrogen (NOy), ozone (O3), nonmethane hydrocarbons (NMHCs), and other species were made during BIBLE-B. Meteorological analysis shows that the trace gases emitted from biomass burning in northern Australia were mostly confined within the planetary boundary layer (below ˜3 km) by strong subsidence in the free troposphere. Removal processes of NOx (equal to measured NO + calculated NO2) and NOy in biomass burning plumes in the boundary layer are examined on the basis of correlation analysis. The photochemical lifetime of NOx in biomass burning plumes during the daytime is estimated to be 0.1 to 0.3 days using the correlations of NOx with short-lived NMHCs and hydroxyl radical (OH) concentration calculated from a constrained photochemical model. Correlation of NOy with CO shows that ˜60% of the NOy molecules originating from biomass burning were removed in the boundary layer within 2-3 days. This result is consistent with dry deposition of nitric acid (HNO3) in the plumes. It is likely that only a small fraction of NOy emitted from biomass burning was exported from the boundary layer to the free troposphere during the BIBLE-B period.

Capital cost expenditure of high temperature latent and sensible thermal energy storage systems

NASA Astrophysics Data System (ADS)

Jacob, Rhys; Saman, Wasim; Bruno, Frank

2017-06-01

In the following study cost estimates have been undertaken for an encapsulated phase change material (EPCM) packed bed, a packed bed thermocline and a traditional two-tank molten salt system. The effect of various heat transfer fluids (air and molten salt), system configuration (cascade vs one PCM, and direct vs indirect) and temperature difference (ΔT = 100-500 °C) on the cost estimate of the system was also investigated. Lastly, the storage system boundary was expanded to include heat exchangers, pumps and fans, and heat tracing so that a thorough cost comparison could be undertaken. The results presented in this paper provide a methodology to quickly compare various systems and configurations while providing design limits for the studied technologies.

A taxonomy of three species of negative velocity arrivals in the lithospheric mantle beneath the United States using Sp receiver functions

NASA Astrophysics Data System (ADS)

Foster, K.; Dueker, K.; McClenahan, J.; Hansen, S. M.; Schmandt, B.

2012-12-01

The Transportable Array, with significant supplement from past PASSCAL experiments, provides an unprecedented opportunity for a holistic view over the geologically and tectonically diverse continent. New images from 34,000 Sp Receiver Functions image lithospheric and upper mantle structure that has not previously been well constrained, significant to our understanding of upper mantle processes and continental evolution. The negative velocity gradient (NVG) found beneath the Moho has been elusive and is often loosely termed the "Lithosphere-Asthenosphere Boundary" (LAB).This label is used by some researchers to indicate a rheological boundary, a thermal gradient, an anisotropic velocity contrast, or a compositional boundary, and much confusion has arisen around what observed NVG arrivals manifest. Deconvolution across up to 400 stations simultaneously has enhanced the source wavelet estimation and allowed for more accurate receiver functions. In addition, Sdp converted phases are precursory to the direct S phase arrival, eliminating the issue of contamination from reverberated phases that add noise to Ps receiver functions in this lower-lithospheric and upper mantle depth range. We present taxonomy of the NVG arrivals beneath the Moho across the span of the Transportable Array (125° - 85° W). The NVG is classified into three different categories, primarily distinguished by the estimated temperature at the depth of the arrival. The first species of Sp NVG arrivals is found to be in the region west of the Precambrian rift hinge line, at a depth range of 70 - 90 km, corresponding to a temperature of >1150° C. This temperature and depth is predicted to be supersolidus for a 0.02% weight H2O Peridotite (Katz et al., 2004), supporting the theory that these arrivals are due to a melt-staging area (MSA), which could be correlated with the base of the thermal lithosphere. The current depth estimate of the cratonic US thermal LAB ranges from 150-220 km (Yuan and Romanowitz, 2010), and yet a pervasive arrival in our Sp and Ps images shows a NVG ranging from 80 - 110 km depth, with temperature estimates of ~800° C. Clearly internal to the lithosphere, this signal cannot be a LAB arrival. Hence, our second species of NVG is a Mid-Lithospheric Discontinuity (MLD) that we interpret as a layer of sub-solidus metasomatic minerals that have solidus in the 1000-1100°C range near three Gpa. These low solidus minerals are amphibole, phlogophite, and carbon-bearing phases. A freezing front (solidus) near three Gpa freezing front would concentrate these low velocity minerals to make a metasomatic layer over Ga time-scales to explain our NVG MLD arrivals. A third species of NVG, in the "warm" category of 950-1150° C, exists beneath the intermountain west region of Laramide shortening that extends from Montana to New Mexico. This region has experienced abundant post-Eocene alkaline magmatism. Mantle xenoliths from this region provide temperature at depth measurements which are in agreement with our surface wave velocity based temperature estimates. Thus, this NVG arrival is interpreted as a near to super-solidus metasomatic layer. Noteworthy is that a deeper arrival (150-190 km) is intermittently observed which would be more relative to the base of the thermal lithosphere.

Oracle estimation of parametric models under boundary constraints.

PubMed

Wong, Kin Yau; Goldberg, Yair; Fine, Jason P

2016-12-01

In many classical estimation problems, the parameter space has a boundary. In most cases, the standard asymptotic properties of the estimator do not hold when some of the underlying true parameters lie on the boundary. However, without knowledge of the true parameter values, confidence intervals constructed assuming that the parameters lie in the interior are generally over-conservative. A penalized estimation method is proposed in this article to address this issue. An adaptive lasso procedure is employed to shrink the parameters to the boundary, yielding oracle inference which adapt to whether or not the true parameters are on the boundary. When the true parameters are on the boundary, the inference is equivalent to that which would be achieved with a priori knowledge of the boundary, while if the converse is true, the inference is equivalent to that which is obtained in the interior of the parameter space. The method is demonstrated under two practical scenarios, namely the frailty survival model and linear regression with order-restricted parameters. Simulation studies and real data analyses show that the method performs well with realistic sample sizes and exhibits certain advantages over standard methods. © 2016, The International Biometric Society.

Interface tension in the improved Blume-Capel model

NASA Astrophysics Data System (ADS)

Hasenbusch, Martin

2017-09-01

We study interfaces with periodic boundary conditions in the low-temperature phase of the improved Blume-Capel model on the simple cubic lattice. The interface free energy is defined by the difference of the free energy of a system with antiperiodic boundary conditions in one of the directions and that of a system with periodic boundary conditions in all directions. It is obtained by integration of differences of the corresponding internal energies over the inverse temperature. These differences can be computed efficiently by using a variance reduced estimator that is based on the exchange cluster algorithm. The interface tension is obtained from the interface free energy by using predictions based on effective interface models. By using our numerical results for the interface tension σ and the correlation length ξ obtained in previous work, we determine the universal amplitude ratios R2 nd ,+=σ0f2nd ,+ 2=0.3863 (6 ) , R2 nd ,-=σ0f2nd ,- 2=0.1028 (1 ) , and Rexp ,-=σ0fexp,- 2=0.1077 (3 ) . Our results are consistent with those obtained previously for the three-dimensional Ising model, confirming the universality hypothesis.

Performance improvement of 64-QAM coherent optical communication system by optimizing symbol decision boundary based on support vector machine

NASA Astrophysics Data System (ADS)

Chen, Wei; Zhang, Junfeng; Gao, Mingyi; Shen, Gangxiang

2018-03-01

High-order modulation signals are suited for high-capacity communication systems because of their high spectral efficiency, but they are more vulnerable to various impairments. For the signals that experience degradation, when symbol points overlap on the constellation diagram, the original linear decision boundary cannot be used to distinguish the classification of symbol. Therefore, it is advantageous to create an optimum symbol decision boundary for the degraded signals. In this work, we experimentally demonstrated the 64-quadrature-amplitude modulation (64-QAM) coherent optical communication system using support-vector machine (SVM) decision boundary algorithm to create the optimum symbol decision boundary for improving the system performance. We investigated the influence of various impairments on the 64-QAM coherent optical communication systems, such as the impairments caused by modulator nonlinearity, phase skew between in-phase (I) arm and quadrature-phase (Q) arm of the modulator, fiber Kerr nonlinearity and amplified spontaneous emission (ASE) noise. We measured the bit-error-ratio (BER) performance of 75-Gb/s 64-QAM signals in the back-to-back and 50-km transmission. By using SVM to optimize symbol decision boundary, the impairments caused by I/Q phase skew of the modulator, fiber Kerr nonlinearity and ASE noise are greatly mitigated.

Use of an Accurate DNS Particulate Flow Method to Supply and Validate Boundary Conditions for the MFIX Code

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

Zhi-Gang Feng

2012-05-31

The simulation of particulate flows for industrial applications often requires the use of two-fluid models, where the solid particles are considered as a separate continuous phase. One of the underlining uncertainties in the use of the two-fluid models in multiphase computations comes from the boundary condition of the solid phase. Typically, the gas or liquid fluid boundary condition at a solid wall is the so called no-slip condition, which has been widely accepted to be valid for single-phase fluid dynamics provided that the Knudsen number is low. However, the boundary condition for the solid phase is not well understood. Themore » no-slip condition at a solid boundary is not a valid assumption for the solid phase. Instead, several researchers advocate a slip condition as a more appropriate boundary condition. However, the question on the selection of an exact slip length or a slip velocity coefficient is still unanswered. Experimental or numerical simulation data are needed in order to determinate the slip boundary condition that is applicable to a two-fluid model. The goal of this project is to improve the performance and accuracy of the boundary conditions used in two-fluid models such as the MFIX code, which is frequently used in multiphase flow simulations. The specific objectives of the project are to use first principles embedded in a validated Direct Numerical Simulation particulate flow numerical program, which uses the Immersed Boundary method (DNS-IB) and the Direct Forcing scheme in order to establish, modify and validate needed energy and momentum boundary conditions for the MFIX code. To achieve these objectives, we have developed a highly efficient DNS code and conducted numerical simulations to investigate the particle-wall and particle-particle interactions in particulate flows. Most of our research findings have been reported in major conferences and archived journals, which are listed in Section 7 of this report. In this report, we will present a brief description of these results.« less

Cavitation During Superplastic Forming

PubMed Central

Campbell, John

2011-01-01

Cavitation is the opening of pores during superplastic forming, typically at grain boundary triple points or on second phase grain boundary particles during slip of grain boundaries. Theories for the initiation of cavitation are reviewed. It seems that cavitation is unlikely to occur by processes intrinsic to metals such as dislocation mechanisms or point defect condensation. It is proposed that cavitation can only occur at non-bonded interfaces such as those introduced extrinsically (i.e., from the outside) during the original casting of the metal. These defects, known as oxide bifilms, are naturally introduced during pouring of the liquid metal, and are frozen into the solid, often pushed by dendritic growth into grain boundaries where they are difficult to detect because of their extreme thinness, often measured in nanometres. Their unbonded central interface acts as a crack and can initiate cavitation. Second phase precipitates probably do not nucleate and grow on grain boundaries but grow on bifilms in the boundaries, explaining the apparent association between boundaries, second phase particles and failure initiation. Improved melting and casting techniques can provide metal with reduced or zero bifilm population for which cavitation would not be possible, promising significant improvements in superplastic behaviour. PMID:28824142

Cavitation During Superplastic Forming.

PubMed

Campbell, John

2011-07-08

Cavitation is the opening of pores during superplastic forming, typically at grain boundary triple points or on second phase grain boundary particles during slip of grain boundaries. Theories for the initiation of cavitation are reviewed. It seems that cavitation is unlikely to occur by processes intrinsic to metals such as dislocation mechanisms or point defect condensation. It is proposed that cavitation can only occur at non-bonded interfaces such as those introduced extrinsically (i.e., from the outside) during the original casting of the metal. These defects, known as oxide bifilms, are naturally introduced during pouring of the liquid metal, and are frozen into the solid, often pushed by dendritic growth into grain boundaries where they are difficult to detect because of their extreme thinness, often measured in nanometres. Their unbonded central interface acts as a crack and can initiate cavitation. Second phase precipitates probably do not nucleate and grow on grain boundaries but grow on bifilms in the boundaries, explaining the apparent association between boundaries, second phase particles and failure initiation. Improved melting and casting techniques can provide metal with reduced or zero bifilm population for which cavitation would not be possible, promising significant improvements in superplastic behaviour.

[delta] precipitation in an Al-Li-Cu-Mg-Zr alloy

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

Prasad, K.S.; Mukhopadhyay, A.K.; Gokhale, A.A.

1994-05-15

AlLi based [delta] phase has an NaTl structure (i.e., a diamond cubic) with a = 0.637nm and is an equilibrium phase in the binary Al-Li system. In heat treated binary Al-Li alloys of appropriate compositions, [delta] phase can format grain boundaries as well as within the grains. In commercially heat treated Al-Li-Cu alloys of 2090 specification, the grain boundary precipitate [delta] of the binary Al-Li system is replaced by a combination of T[sub 2](Al[sub 6]CuLi[sub 3]), R(Al[sub 5]CuLi[sub 3]) and T[sub 1](Al[sub 2]CuLi) phases. In similarly treated Al-Li-Cu-Mg alloys of 8090 specification, the copper rich T[sub 2] phase, present inmore » the form of Al[sub 6]CuLi[sub 3[minus]x]Mg[sub x], is known to be the major coarse g.b. precipitate. The presence of an Al-Li-Cu-Mg based C phase at the grain boundaries of the commercially heat treated 8090 alloys has also been documented. No detailed study has yet been carried out to verify whether the [delta] phase can be present at the grain boundaries of the commercially heat treated 8090 alloys. Given the correlations between the g.b. phase morphology, g.b. phase chemistry, and the stress corrosion cracking resistance of these alloys, it is important that the g.b. precipitates be examined and identified. In this paper results using TEM are presented to show that the [delta] phase can be present in varying amounts at the grain boundaries in an 8090 alloy when heat treated in the temperature range of 170--350 C. An examination is also made of the [delta] precipitation within the grain to establish that the T[sub 2]/[alpha]-Al interface is the dominant nucleation site for the noncoherent [delta] phase.« less

Accurate diblock copolymer phase boundaries at strong segregations

NASA Astrophysics Data System (ADS)

Matsen, M. W.; Whitmore, M. D.

1996-12-01

We examine the lamellar/cylinder and cylinder/sphere phase boundaries for strongly segregated diblock copolymer melts using self-consistent-field theory (SCFT) and the standard Gaussian chain model. Calculations are performed with and without the conventional unit-cell approximation (UCA). We find that for strongly segregated melts, the UCA simply produces a small constant shift in each of the phase boundaries. Furthermore, the boundaries are found to be linear at strong segregations when plotted versus (χN)-1, which allows for accurate extrapolations to χN=∞. Our calculations using the UCA allow direct comparisons to strong-segregation theory (SST), which is accepted as the χN=∞ limit of SCFT. A significant discrepancy between the SST and SCFT results indicate otherwise, suggesting that the present formulation of SST is incomplete.

Assessing housing growth when census boundaries change

Treesearch

Alexandra D. Syphard; Susan I. Stewart; Jason McKeefry; Roger B. Hammer; Jeremy S. Fried; Sherry Holcomb; Volker C. Radeloff

2009-01-01

The US Census provides the primary source of spatially explicit social data, but changing block boundaries complicate analyses of housing growth over time. We compared procedures for reconciling housing density data between 1990 and 2000 census block boundaries in order to assess the sensitivity of analytical methods to estimates of housing growth in Oregon. Estimates...

Effect of oxygen content of Nd-Fe-B sintered magnet on grain boundary diffusion process of DyH2 dip-coating

NASA Astrophysics Data System (ADS)

Bae, Kyoung-Hoon; Lee, Seong-Rae; Kim, Hyo-Jun; Lee, Min-Woo; Jang, Tae-Suk

2015-11-01

We investigated the effect of oxygen content on the microstructural and magnetic properties of a DyH2 dip-coated Nd-Fe-B sintered magnet. When the magnet had a low oxygen content (1500 ppm), the volume and size of the rare-earth-rich oxide (Nd-Dy-O) phase was reduced, and a uniform and continuous thin Nd-rich grain boundary phase (GBP) was well developed. The grain boundary diffusion depth of Dy increased from 200 to 350 μm with decreasing oxygen content from ˜3000 to 1500 ppm. The coercivity of the low-oxygen magnet increased from 19.98 to 23.59 kOe after grain boundary diffusion process (GBDP) while the remanence reduction was minimized. The formation of an fcc-NdOx Nd-rich phase in the high-oxygen magnet hindered the formation of a Nd-rich triple-junction phase and GBP. In contrast, a metallic dhcp-Nd phase, which was closely related to coercivity enhancement after GBDP, was formed in the low-oxygen magnet.

Phase-Sensitive Coherence and the Classical-Quantum Boundary in Ghost Imaging

NASA Technical Reports Server (NTRS)

Erkmen, Baris I.; Hardy, Nicholas D.; Venkatraman, Dheera; Wong, Franco N. C.; Shapiro, Jeffrey H.

2011-01-01

The theory of partial coherence has a long and storied history in classical statistical optics. the vast majority of this work addresses fields that are statistically stationary in time, hence their complex envelopes only have phase-insensitive correlations. The quantum optics of squeezed-state generation, however, depends on nonlinear interactions producing baseband field operators with phase-insensitive and phase-sensitive correlations. Utilizing quantum light to enhance imaging has been a topic of considerable current interest, much of it involving biphotons, i.e., streams of entangled-photon pairs. Biphotons have been employed for quantum versions of optical coherence tomography, ghost imaging, holography, and lithography. However, their seemingly quantum features have been mimicked with classical-sate light, questioning wherein lies the classical-quantum boundary. We have shown, for the case of Gaussian-state light, that this boundary is intimately connected to the theory of phase-sensitive partial coherence. Here we present that theory, contrasting it with the familiar case of phase-insensitive partial coherence, and use it to elucidate the classical-quantum boundary of ghost imaging. We show, both theoretically and experimentally, that classical phase-sensitive light produces ghost imaging most closely mimicking those obtained in biphotons, and we derived the spatial resolution, image contrast, and signal-to-noise ratio of a standoff-sensing ghost imager, taking into account target-induced speckle.

Parameters of oscillation generation regions in open star cluster models

NASA Astrophysics Data System (ADS)

Danilov, V. M.; Putkov, S. I.

2017-07-01

We determine the masses and radii of central regions of open star cluster (OCL) models with small or zero entropy production and estimate the masses of oscillation generation regions in clustermodels based on the data of the phase-space coordinates of stars. The radii of such regions are close to the core radii of the OCL models. We develop a new method for estimating the total OCL masses based on the cluster core mass, the cluster and cluster core radii, and radial distribution of stars. This method yields estimates of dynamical masses of Pleiades, Praesepe, and M67, which agree well with the estimates of the total masses of the corresponding clusters based on proper motions and spectroscopic data for cluster stars.We construct the spectra and dispersion curves of the oscillations of the field of azimuthal velocities v φ in OCL models. Weak, low-amplitude unstable oscillations of v φ develop in cluster models near the cluster core boundary, and weak damped oscillations of v φ often develop at frequencies close to the frequencies of more powerful oscillations, which may reduce the non-stationarity degree in OCL models. We determine the number and parameters of such oscillations near the cores boundaries of cluster models. Such oscillations points to the possible role that gradient instability near the core of cluster models plays in the decrease of the mass of the oscillation generation regions and production of entropy in the cores of OCL models with massive extended cores.

On-line Model Structure Selection for Estimation of Plasma Boundary in a Tokamak

NASA Astrophysics Data System (ADS)

Škvára, Vít; Šmídl, Václav; Urban, Jakub

2015-11-01

Control of the plasma field in the tokamak requires reliable estimation of the plasma boundary. The plasma boundary is given by a complex mathematical model and the only available measurements are responses of induction coils around the plasma. For the purpose of boundary estimation the model can be reduced to simple linear regression with potentially infinitely many elements. The number of elements must be selected manually and this choice significantly influences the resulting shape. In this paper, we investigate the use of formal model structure estimation techniques for the problem. Specifically, we formulate a sparse least squares estimator using the automatic relevance principle. The resulting algorithm is a repetitive evaluation of the least squares problem which could be computed in real time. Performance of the resulting algorithm is illustrated on simulated data and evaluated with respect to a more detailed and computationally costly model FREEBIE.

Disintegration of the net-shaped grain-boundary phase by multi-directional forging and its influence on the microstructure and properties of Cu-Ni-Si alloy

NASA Astrophysics Data System (ADS)

Zhang, Jinlong; Lu, Zhenlin; Zhao, Yuntao; Jia, Lei; Xie, Hui; Tao, Shiping

2017-09-01

Cu-Ni-Si alloys with 90% Cu content and Ni to Si ratios of 5:1 were fabricated by fusion casting, and severe plastic deformation of the Cu-Ni-Si alloy was carried out by multi-direction forging (MDF). The results showed that the as-cast and homogenized Cu-Ni-Si alloys consisted of three phases, namely the matrix phase α-Cu (Ni, Si), the reticular grain boundary phase Ni31Si12 and the precipitated phase Ni2Si. MDF significantly destroyed the net-shaped grain boundary phase, the Ni31Si12 phase and refined the grain size of the Cu matrix, and also resulted in the dissolving of Ni2Si precipitates into the Cu matrix. The effect of MDF on the conductivity of the solid solution Cu-Ni-Si alloy was very significant, with an average increase of 165.16%, and the hardness of the Cu-Ni-Si alloy also increased obviously.

Linkage disequilibrium, persistence of phase, and effective population size in Spanish local beef cattle breeds assessed through a high-density single nucleotide polymorphism chip.

PubMed

Cañas-Álvarez, J J; Mouresan, E F; Varona, L; Díaz, C; Molina, A; Baro, J A; Altarriba, J; Carabaño, M J; Casellas, J; Piedrafita, J

2016-07-01

Linkage disequilibrium (LD) and persistence of phase are fundamental approaches for exploring the genetic basis of economically important traits in cattle, including the identification of QTL for genomic selection and the estimation of effective population size () to determine the size of the training populations. In this study, we have used the Illumina BovineHD chip in 168 trios of 7 Spanish beef cattle breeds to obtain an overview of the magnitude of LD and the persistence of LD phase through the physical distance between markers. Also, we estimated the time of divergence based on the persistence of the LD phase and calculated past from LD estimates using different alternatives to define the recombination rate. Estimates of average (as a measure of LD) for adjacent markers were close to 0.52 in the 7 breeds and decreased with the distance between markers, although in long distances, some LD still remained (0.07 and 0.05 for markers 200 kb and 1 Mb apart, respectively). A panel with a lower boundary of 38,000 SNP would be necessary to launch a successful within-breed genomic selection program. Persistence of phase, measured as the pairwise correlations between estimates of in 2 breeds at short distances (10 kb), was in the 0.89 to 0.94 range and decreased from 0.33 to 0.52 to a range of 0.01 to 0.08 when marker distance increased from 200 kb to 1 Mb, respectively. The magnitude of the persistence of phase between the Spanish beef breeds was similar to those found in dairy breeds. For across-breed genomic selection, the size of the SNP panels must be in the range of 50,000 to 83,000 SNP. Estimates of past showed values ranging from 26 to 31 for 1 generation ago in all breeds. The divergence among breeds occurred between 129 and 207 generations ago. The results of this study are relevant for the future implementation of within- and across-breed genomic selection programs in the Spanish beef cattle populations. Our results suggest that a reduced subset of the SNP panel would be enough to achieve an adequate precision of the genomic predictions.

Wave-optics uncertainty propagation and regression-based bias model in GNSS radio occultation bending angle retrievals

NASA Astrophysics Data System (ADS)

Gorbunov, Michael E.; Kirchengast, Gottfried

2018-01-01

A new reference occultation processing system (rOPS) will include a Global Navigation Satellite System (GNSS) radio occultation (RO) retrieval chain with integrated uncertainty propagation. In this paper, we focus on wave-optics bending angle (BA) retrieval in the lower troposphere and introduce (1) an empirically estimated boundary layer bias (BLB) model then employed to reduce the systematic uncertainty of excess phases and bending angles in about the lowest 2 km of the troposphere and (2) the estimation of (residual) systematic uncertainties and their propagation together with random uncertainties from excess phase to bending angle profiles. Our BLB model describes the estimated bias of the excess phase transferred from the estimated bias of the bending angle, for which the model is built, informed by analyzing refractivity fluctuation statistics shown to induce such biases. The model is derived from regression analysis using a large ensemble of Constellation Observing System for Meteorology, Ionosphere, and Climate (COSMIC) RO observations and concurrent European Centre for Medium-Range Weather Forecasts (ECMWF) analysis fields. It is formulated in terms of predictors and adaptive functions (powers and cross products of predictors), where we use six main predictors derived from observations: impact altitude, latitude, bending angle and its standard deviation, canonical transform (CT) amplitude, and its fluctuation index. Based on an ensemble of test days, independent of the days of data used for the regression analysis to establish the BLB model, we find the model very effective for bias reduction and capable of reducing bending angle and corresponding refractivity biases by about a factor of 5. The estimated residual systematic uncertainty, after the BLB profile subtraction, is lower bounded by the uncertainty from the (indirect) use of ECMWF analysis fields but is significantly lower than the systematic uncertainty without BLB correction. The systematic and random uncertainties are propagated from excess phase to bending angle profiles, using a perturbation approach and the wave-optical method recently introduced by Gorbunov and Kirchengast (2015), starting with estimated excess phase uncertainties. The results are encouraging and this uncertainty propagation approach combined with BLB correction enables a robust reduction and quantification of the uncertainties of excess phases and bending angles in the lower troposphere.

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

Lee, Hak-Sung, E-mail: hslee@kims.re.kr; Park, Chanbum; Oh, Chang-Seok

Highlights: • We model the sample grain boundary of LiCoO2, one of important Li cathode materials. • Rigid body translation was found the asymmetric GB is more stable than symmetric GB. • The vacancy formation energy of Li and O was estimated with first principles calculations. • This model boundary can help to find a new dopant to improve Li diffusions. - Abstract: An atomic structure of LiCoO{sub 2} model grain boundary, Σ2 [1120](1102), is introduced and grain boundary energies with rigid body translations are investigated systematically to find the most stable interface structures. It is found that the coordinatedmore » structures of Co and O in the vicinity of grain boundary are strongly related to grain boundary energy. Examining nonstoichiometry at grain boundary, the defect energetics of Li and O site at grain boundary are estimated. In addition, the effect of grain boundary on Li diffusion is investigated to calculate Li diffusion across grain boundary.« less

Nonlinear dynamics of mushy layers induced by external stochastic fluctuations.

PubMed

Alexandrov, Dmitri V; Bashkirtseva, Irina A; Ryashko, Lev B

2018-02-28

The time-dependent process of directional crystallization in the presence of a mushy layer is considered with allowance for arbitrary fluctuations in the atmospheric temperature and friction velocity. A nonlinear set of mushy layer equations and boundary conditions is solved analytically when the heat and mass fluxes at the boundary between the mushy layer and liquid phase are induced by turbulent motion in the liquid and, as a result, have the corresponding convective form. Namely, the 'solid phase-mushy layer' and 'mushy layer-liquid phase' phase transition boundaries as well as the solid fraction, temperature and concentration (salinity) distributions are found. If the atmospheric temperature and friction velocity are constant, the analytical solution takes a parametric form. In the more common case when they represent arbitrary functions of time, the analytical solution is given by means of the standard Cauchy problem. The deterministic and stochastic behaviour of the phase transition process is analysed on the basis of the obtained analytical solutions. In the case of stochastic fluctuations in the atmospheric temperature and friction velocity, the phase transition interfaces (mushy layer boundaries) move faster than in the deterministic case. A cumulative effect of these noise contributions is revealed as well. In other words, when the atmospheric temperature and friction velocity fluctuate simultaneously due to the influence of different external processes and phenomena, the phase transition boundaries move even faster. This article is part of the theme issue 'From atomistic interfaces to dendritic patterns'.This article is part of the theme issue 'From atomistic interfaces to dendritic patterns'. © 2018 The Author(s).

Phase II modification of the Water Availability Tool for Environmental Resources (WATER) for Kentucky: The sinkhole-drainage process, point-and-click basin delineation, and results of karst test-basin simulations

USGS Publications Warehouse

Taylor, Charles J.; Williamson, Tanja N.; Newson, Jeremy K.; Ulery, Randy L.; Nelson, Hugh L.; Cinotto, Peter J.

2012-01-01

This report describes Phase II modifications made to the Water Availability Tool for Environmental Resources (WATER), which applies the process-based TOPMODEL approach to simulate or predict stream discharge in surface basins in the Commonwealth of Kentucky. The previous (Phase I) version of WATER did not provide a means of identifying sinkhole catchments or accounting for the effects of karst (internal) drainage in a TOPMODEL-simulated basin. In the Phase II version of WATER, sinkhole catchments are automatically identified and delineated as internally drained subbasins, and a modified TOPMODEL approach (called the sinkhole drainage process, or SDP-TOPMODEL) is applied that calculates mean daily discharges for the basin based on summed area-weighted contributions from sinkhole drain-age (SD) areas and non-karstic topographically drained (TD) areas. Results obtained using the SDP-TOPMODEL approach were evaluated for 12 karst test basins located in each of the major karst terrains in Kentucky. Visual comparison of simulated hydrographs and flow-duration curves, along with statistical measures applied to the simulated discharge data (bias, correlation, root mean square error, and Nash-Sutcliffe efficiency coefficients), indicate that the SDPOPMODEL approach provides acceptably accurate estimates of discharge for most flow conditions and typically provides more accurate simulation of stream discharge in karstic basins compared to the standard TOPMODEL approach. Additional programming modifications made to the Phase II version of WATER included implementation of a point-and-click graphical user interface (GUI), which fully automates the delineation of simulation-basin boundaries and improves the speed of input-data processing. The Phase II version of WATER enables the user to select a pour point anywhere on a stream reach of interest, and the program will automatically delineate all upstream areas that contribute drainage to that point. This capability enables automatic delineation of a simulation basin of any size (area) and having any level of stream-network complexity. WATER then automatically identifies the presence of sinkholes catchments within the simulation basin boundaries; extracts and compiles the necessary climatic, topographic, and basin characteristics datasets; and runs the SDP-TOPMODEL approach to estimate daily mean discharges (streamflow).

Numerical analysis of one-dimensional temperature data for groundwater/surface-water exchange with 1DTempPro

NASA Astrophysics Data System (ADS)

Voytek, E. B.; Drenkelfuss, A.; Day-Lewis, F. D.; Healy, R. W.; Lane, J. W.; Werkema, D. D.

2012-12-01

Temperature is a naturally occurring tracer, which can be exploited to infer the movement of water through the vadose and saturated zones, as well as the exchange of water between aquifers and surface-water bodies, such as estuaries, lakes, and streams. One-dimensional (1D) vertical temperature profiles commonly show thermal amplitude attenuation and increasing phase lag of diurnal or seasonal temperature variations with propagation into the subsurface. This behavior is described by the heat-transport equation (i.e., the convection-conduction-dispersion equation), which can be solved analytically in 1D under certain simplifying assumptions (e.g., sinusoidal or steady-state boundary conditions and homogeneous hydraulic and thermal properties). Analysis of 1D temperature profiles using analytical models provides estimates of vertical groundwater/surface-water exchange. The utility of these estimates can be diminished when the model assumptions are violated, as is common in field applications. Alternatively, analysis of 1D temperature profiles using numerical models allows for consideration of more complex and realistic boundary conditions. However, such analyses commonly require model calibration and the development of input files for finite-difference or finite-element codes. To address the calibration and input file requirements, a new computer program, 1DTempPro, is presented that facilitates numerical analysis of vertical 1D temperature profiles. 1DTempPro is a graphical user interface (GUI) to the USGS code VS2DH, which numerically solves the flow- and heat-transport equations. Pre- and post-processor features within 1DTempPro allow the user to calibrate VS2DH models to estimate groundwater/surface-water exchange and hydraulic conductivity in cases where hydraulic head is known. This approach improves groundwater/ surface-water exchange-rate estimates for real-world data with complexities ill-suited for examination with analytical methods. Additionally, the code allows for time-varying temperature and hydraulic boundary conditions. Here, we present the approach and include examples for several datasets from stream/aquifer systems.

Performance comparison between packet and continuous data transmission using two adaptive equalizers in shallow water

NASA Astrophysics Data System (ADS)

Yoon, Jong Rak; Park, Kyu-Chil; Park, Jihyun

2015-07-01

Transmitted signals are markedly affected by sea surface and bottom boundaries in shallow water. The time variant reflection signals from such boundaries characterize the channel as a frequency-selective fading channel and cause intersymbol interference (ISI) in underwater acoustic communication. A channel-estimate-based equalizer is usually adopted to compensate for the reflected signals under this kind of acoustic channel. In this study, we apply two approaches for packet and continuous data transmission of the quadrature phase shift keying (QPSK) system. One is the use of a two-dimensional (2D) rotation matrix in a non-frequency-selective channel. The other is the use of two equalizers of types — the feed forward equalizer (FFE) and decision-directed equalizer (DDE) — with a normalized least mean square (NLMS) algorithm in a frequency-selective channel. The percentage improvement of packet transmission is notably better than that of continuous transmission.

Phase boundary of hot dense fluid hydrogen

PubMed Central

Ohta, Kenji; Ichimaru, Kota; Einaga, Mari; Kawaguchi, Sho; Shimizu, Katsuya; Matsuoka, Takahiro; Hirao, Naohisa; Ohishi, Yasuo

2015-01-01

We investigated the phase transformation of hot dense fluid hydrogen using static high-pressure laser-heating experiments in a laser-heated diamond anvil cell. The results show anomalies in the heating efficiency that are likely to be attributed to the phase transition from a diatomic to monoatomic fluid hydrogen (plasma phase transition) in the pressure range between 82 and 106 GPa. This study imposes tighter constraints on the location of the hydrogen plasma phase transition boundary and suggests higher critical point than that predicted by the theoretical calculations. PMID:26548442

Boundary of Phase Co-existence in Docosahexaenoic Acid System

NASA Astrophysics Data System (ADS)

Lor, Chai; Hirst, Linda S.

2011-11-01

Docosahexaenoic acid (DHA) is a highly polyunsaturated fatty acid (PUFA) that exhibits six double bonds in the hydrocarbon tail. It induces phase separation of the membrane into liquid order and liquid disorder in mixtures containing other lipids with more saturation and cholesterol. With the utilization of atomic force microscopy, phase co-existence is observed in lipid mixtures containing DHA on a single supported lipid bilayer. The boundary of phase co-existence with decreasing DHA concentration is explored. The elastic force, thickness, and roughness of the different phases are investigated.

The importance of the boundary condition in the transport of intensity equation based phase measurement

NASA Astrophysics Data System (ADS)

Zhang, Jialin; Chen, Qian; Li, Jiaji; Zuo, Chao

2017-02-01

The transport of intensity equation (TIE) is a powerful tool for direct quantitative phase retrieval in microscopy imaging. However, there may be some problems when dealing with the boundary condition of the TIE. The previous work introduces a hard-edged aperture to the camera port of the traditional bright field microscope to generate the boundary signal for the TIE solver. Under this Neumann boundary condition, we can obtain the quantitative phase without any assumption or prior knowledge about the test object and the setup. In this paper, we will demonstrate the effectiveness of this method based on some experiments in practice. The micro lens array will be used for the comparison of two TIE solvers results based on introducing the aperture or not and this accurate quantitative phase imaging technique allows measuring cell dry mass which is used in biology to follow cell cycle, to investigate cell metabolism, or to address effects of drugs.

Three-phase boundary length in solid-oxide fuel cells: A mathematical model

NASA Astrophysics Data System (ADS)

Janardhanan, Vinod M.; Heuveline, Vincent; Deutschmann, Olaf

A mathematical model to calculate the volume specific three-phase boundary length in the porous composite electrodes of solid-oxide fuel cell is presented. The model is exclusively based on geometrical considerations accounting for porosity, particle diameter, particle size distribution, and solids phase distribution. Results are presented for uniform particle size distribution as well as for non-uniform particle size distribution.

Controls on rheology of peridotite at a palaeosubduction interface: a transect across the base of the Oman-UAE ophiolite

NASA Astrophysics Data System (ADS)

Ambrose, T. K.; Wallis, D.; Hansen, L. N.; Waters, D. J.; Searle, M. P.

2017-12-01

Studies of experimentally deformed rocks and small-scale natural shear zones have demonstrated that volumetrically minor phases can control strain localisation by limiting grain growth and promoting grain-size sensitive deformation mechanisms. Such studies are often used to infer a critical role for minor phases in the development of plate boundaries. However, the role of of minor phases in strain localisation at plate boundaries remains to be tested by direct observation. To test the hypothesis that minor phases control strain localisation at plate boundaries, we conducted microstructural analyses of peridotite samples collected across the base of the Oman-UAE ophiolite. The base of the ophiolite is marked by the Semail thrust, which represents the now exhumed contact between subducted oceanic crust and the overlying mantle wedge. As such, the base of the ophiolite provides the opportunity to directly examine a former plate boundary. Our results demonstrate that the mean olivine grain size is inversely proportional to the abundance of minor phases (primarily pyroxene), consistent with suppression of grain growth by grain-boundary pinning. Our results also reveal that mean olivine grain size is proportional to CPO strength, suggesting that the fraction of strain accommodated by different deformation mechanisms varied spatially. Experimentally-derived flow laws indicate that under the inferred deformation conditions the viscosity of olivine was grain-size sensitive. As such, grain size, and thereby the abundance of minor phases, influenced viscosity during subduction-related deformation along the base of the mantle wedge. We calculate that viscosity and strain rate respectively decrease and increase by approximately an order of magnitude towards the base of the ophiolite. Our data indicate that this rheological weakening was primarily the result of more abundant secondary phases near the base of the ophiolite. Our interpretations are consistent with those of previous studies on experimentally deformed rocks and smaller-scale natural shear zones that indicate minor phases can strongly influence strain localisation. However, our study demonstrates for the first time that minor phases can control strain localisation at the scale of a major plate boundary.

Comparison of microstructure of superplastically deformed synthetic materials and ultramylonite: Coalescence of secondary mineral grains via grain boundary sliding

NASA Astrophysics Data System (ADS)

Hiraga, T.; Miyazaki, T.; Tasaka, M.; Yoshida, H.

2011-12-01

Using very fine-grained aggregates of forsterite containing ~10vol% secondary mineral phase such as periclase and enstatite, we have been able to demonstrate their superplascity, that is, achievement of more than a few 100 % tensile strain (Hiraga et al. 2010). Superplastic deformation is commonly considered to proceed via grain boundary sliding (GBS) which results in grain switching in the samples. Hiraga et al. (2010) succeeded in detecting the operation of GBS from observing the coalescence of grains of secondary phase in superplastically deformed samples. The secondary phase pins the motion of grain boundaries of the primary phase; however, the reduction of the number of the grains of secondary phase due to their coalescence allows grain growth of the primary phase. We analyzed the relationships between grain size of the primary and secondary phases, between strain and grain size, and between strain and the number of coalesced grains in the superplastically deformed samples. The results supports participation of all the grains of the primary phase in grain switching process indicating that the grain boundary sliding accommodates almost entire strain during the deformation. Mechanical properties of these materials such as their stress and grain size exponents of 1-2 do not conflict this conclusion. We applied the relationships obtained from analyzing superplastic materials to the microstructure of the natural samples, which has been considered to have deformed via grain boundary sliding, that is, ultramylonite. The microstructure of greenschist-grade ultramylonite reported by Fliervoet et al. (1997) was analyzed. Distributions of the mineral phases (i.e., quartz, plagioclase, K-feldspar and biotite) show distinct coalescence of the same mineral phases in the direction almost perpendicular to the foliation of the rock. The number of coalesced grains indicates that the strain that rock experienced is > 2. [reference] Hiraga et al. (2010) Nature 468, 1091-1094; Fliervoet et al. (1997) Journal of Structural Geology 19, 1495-1520

Automated methods of tree boundary extraction and foliage transparency estimation from digital imagery

Treesearch

Sang-Mook Lee; Neil A. Clark; Philip A. Araman

2003-01-01

Foliage transparency in trees is an important indicator for forest health assessment. This paper helps advance transparency measurement research by presenting methods of automatic tree boundary extraction and foliage transparency estimation from digital images taken from the ground of open grown trees.Extraction of proper boundaries of tree crowns is the...

Correlation Among the Variant Group, Effective Grain Size, and Elastic Strain Energy During the Phase Transformation in 9Ni Steels

NASA Astrophysics Data System (ADS)

Terasaki, Hidenori; Moriguchi, Koji; Tomio, Yusaku; Yamagishi, Hideki; Morito, Shigekazu

2017-12-01

The effect of carbon content on the density of variant-pair boundaries was investigated in 9Ni steel using an electron backscatter diffraction patterns method. The changes in the density of variant-pair boundaries were correlated with the nondestructive measured values of shear modulus of the austenite phase at the phase transformation point. Furthermore, the effective grain size was correlated with the shear modulus and the density of variant-pair boundaries. These relations are discussed from the viewpoint of self-accommodation of elastic strain energy and the nucleation event in the bainite and martensitic transformations.

Change in the magnetic structure of (Bi,Sm)FeO3 thin films at the morphotropic phase boundary probed by neutron diffraction

NASA Astrophysics Data System (ADS)

Maruyama, Shingo; Anbusathaiah, Varatharajan; Fennell, Amy; Enderle, Mechthild; Takeuchi, Ichiro; Ratcliff, William D.

2014-11-01

We report on the evolution of the magnetic structure of BiFeO3 thin films grown on SrTiO3 substrates as a function of Sm doping. We determined the magnetic structure using neutron diffraction. We found that as Sm increases, the magnetic structure evolves from a cycloid to a G-type antiferromagnet at the morphotropic phase boundary, where there is a large piezoelectric response due to an electric-field induced structural transition. The occurrence of the magnetic structural transition at the morphotropic phase boundary offers another route towards room temperature multiferroic devices.

Competing exchanges and spin-phonon coupling in Eu(1-x)R(x)MnO3 (R=Y, Lu).

PubMed

Mota, D A; Barcelay, Y Romaguera; Tavares, P B; Chaves, M R; Almeida, A; Oliveira, J; Ferreira, W S; Moreira, J Agostinho

2013-06-12

This work is focused on the phase diagrams and physical properties of Y-doped and Lu-doped EuMnO3. The differences in the corresponding phase boundaries in the (x,T) phase diagram could be overcome by considering a scaling of the Y(3+) and Lu(3+) concentrations to the tolerance factor. This outcome evidences that the tolerance factor is in fact a more reliable representative of the lattice deformation induced by doping. The normalization of the phase boundaries using the tolerance factor corroborates previous theoretical outcomes regarding the key role of competitive FM and AFM exchanges in determining the phase diagrams of manganite perovskites. However, significant differences in the nature and number of phases at low temperatures and concentrations could not be explained by just considering the normalization to the tolerance factor. The vertical phase boundary observed just for Lu-doped EuMnO3, close to 10% Lu, is understood by considering a low temperature Peierls-type spin-phonon coupling, which stabilizes the AFM-4 phase in Lu-doped EuMnO3.

Grain boundary phase transformations in PtAu and relevance to thermal stabilization of bulk nanocrystalline metals

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

O’Brien, C. J.; Barr, C. M.; Price, P. M.

There has recently been a great deal of interest in employing immiscible solutes to stabilize nanocrystalline microstructures. Existing modeling efforts largely rely on mesoscale Monte Carlo approaches that employ a simplified model of the microstructure and result in highly homogeneous segregation to grain boundaries. However, there is ample evidence from experimental and modeling studies that demonstrates segregation to grain boundaries is highly non-uniform and sensitive to boundary character. This work employs a realistic nanocrystalline microstructure with experimentally relevant global solute concentrations to illustrate inhomogeneous boundary segregation. Furthermore, experiments quantifying segregation in thin films are reported that corroborate the prediction thatmore » grain boundary segregation is highly inhomogeneous. In addition to grain boundary structure modifying the degree of segregation, the existence of a phase transformation between low and high solute content grain boundaries is predicted. In order to conduct this study, new embedded atom method interatomic potentials are developed for Pt, Au, and the PtAu binary alloy.« less

Grain boundary phase transformations in PtAu and relevance to thermal stabilization of bulk nanocrystalline metals

DOE PAGES

O’Brien, C. J.; Barr, C. M.; Price, P. M.; ...

2017-10-31

There has recently been a great deal of interest in employing immiscible solutes to stabilize nanocrystalline microstructures. Existing modeling efforts largely rely on mesoscale Monte Carlo approaches that employ a simplified model of the microstructure and result in highly homogeneous segregation to grain boundaries. However, there is ample evidence from experimental and modeling studies that demonstrates segregation to grain boundaries is highly non-uniform and sensitive to boundary character. This work employs a realistic nanocrystalline microstructure with experimentally relevant global solute concentrations to illustrate inhomogeneous boundary segregation. Furthermore, experiments quantifying segregation in thin films are reported that corroborate the prediction thatmore » grain boundary segregation is highly inhomogeneous. In addition to grain boundary structure modifying the degree of segregation, the existence of a phase transformation between low and high solute content grain boundaries is predicted. In order to conduct this study, new embedded atom method interatomic potentials are developed for Pt, Au, and the PtAu binary alloy.« less

Coupled domain wall motion, lattice strain and phase transformation in morphotropic phase boundary composition of PbTiO 3-BiScO 3 piezoelectric ceramic

DOE PAGES

Khatua, Dipak Kumar; V., Lalitha K.; Fancher, Chris M.; ...

2016-10-18

High energy synchrotron X-ray diffraction, in situ with electric field, was carried out on the morphotropic phase boundary composition of the piezoelectric alloy PbTiO 3-BiScO 3. We demonstrate a strong correlation between ferroelectric-ferroelastic domain reorientation, lattice strain and phase transformation. Lastly, we also show the occurrence of the three phenomena and persistence of their correlation in the weak field regime.

Evolution from successive phase transitions to "morphotropic phase boundary" in BaTiO3-based ferroelectrics

NASA Astrophysics Data System (ADS)

Zhou, Chao; Ke, Xiaoqin; Yao, Yonggang; Yang, Sen; Ji, Yuanchao; Liu, Wenfeng; Yang, Yaodong; Zhang, Lixue; Hao, Yanshuang; Ren, Shuai; Zhang, Le; Ren, Xiaobing

2018-04-01

Obtaining superior physical properties for ferroic materials by manipulating the phase transitions is a key concern in solid state physics. Here, we investigated the dielectric permittivity, piezoelectric coefficient d33, storage modulus, and crystal symmetry of (1-x)Ba(Ti0.8Zr0.2)O3-x(Ba1-yCay)TiO3 (BZT-xBCyT) systems to demonstrate the gradual evolution process from successive phase transitions in BaTiO3 to the morphotropic phase boundary (MPB) regime in BZT-xBC0.3T. Furthermore, we analysed with a Landau-type theoretical model to show that the high field-sensitive response (dielectric permittivity) originates from a small polarization anisotropy and low energy barrier at the quadruple point. Together, the intermediate orthorhombic phase regime and the tetragonal-orthorhombic and orthorhombic-rhombohedral phase boundaries constitute the MPB. Our work not only reconciles the arguments regarding whether the structural state around the MPB corresponds to a single-phase regime or a multiple-phase-coexistence regime but also suggests an effective method to design high-performance functional ferroic materials by tailoring the successive phase transitions.

Effect of boundary heat flux on columnar formation in binary alloys: A phase-field study

NASA Astrophysics Data System (ADS)

Du, Lifei; Zhang, Peng; Yang, Shaomei; Chen, Jie; Du, Huiling

2018-02-01

A non-isothermal phase-field model was employed to simulate the columnar formation during rapid solidification in binary Ni-Cu alloy. Heat flux at different boundaries was applied to investigate the temperature gradient effect on the morphology, concentration and temperature distributions during directional solidifications. With the heat flux input/extraction from boundaries, coupling with latent heat release and initial temperature gradient, temperature distributions are significantly changed, leading to solute diffusion changes during the phase-transition. Thus, irregular columnar structures are formed during the directional solidification, and the concentration distribution in solid columnar arms could also be changed due to the different growing speeds and temperature distributions at the solid-liquid interfaces. Therefore, applying specific heat conditions at the solidifying boundaries could be an efficient way to control the microstructure during solidifications.

Dynamics of Mantle Plume Controlled by both Post-spinel and Post-garnet Phase Transitions

NASA Astrophysics Data System (ADS)

Liu, H.; Leng, W.

2017-12-01

Mineralogical studies indicate that two major phase transitions occur near 660 km depth in the Earth's pyrolitic mantle: the ringwoodite (Rw) to perovskite (Pv) + magnesiowüstite (Mw) and majorite (Mj) to perovskite (Pv) phase transitions. Seismological results also show a complicated phase boundary structure for plume regions at this depth, including broad pulse, double reflections and depressed 660 km discontinuity beneath hot regions etc… These observations have been attributed to the co-existence of these two phase transformations. However, previous geodynamical modeling mainly focused on the effects of Rw-Pv+Mw phase transition on the plume dynamics and largely neglected the effects of Mj-Pv phase transition. Here we develop a 3-D regional spherical geodynamic model to study the influence of the combination of Rw - Pv+Mw and Mj - Pv phase transitions on plume dynamics, including the topography fluctuation of 660 km discontinuity, plume shape and penetration capability of plume. Our results show that (1) a double phase boundary occurs at the hot center area of plume while for other regions with relatively lower temperature the phase boundary is single and flat, which respectively corresponds to the double reflections in the seismic observations and a high velocity prism-like structure at the top of 660 km discontinuity; (2) a large amount of low temperature plume materials could be trapped to form a complex trapezoid overlying the 660 km depth; (3) Mj - Pv phase change strongly enhances the plume penetration capability at 660 km depth, which significantly increases the plume mass flux due to the increased plume radius, but significantly reduces plume heat flux due to the decreased plume temperature in the upper mantle. Our model results provide new enlightenments for better constraining seismic structure and mineral reactions at 660 km phase boundaries.

Characterization of the martensite phase formed during hydrogen ion irradiation in austenitic stainless steel

NASA Astrophysics Data System (ADS)

Jin, Hyung-Ha; Lim, Sangyeob; Kwon, Junhyun

2017-10-01

Microstructural changes in austenitic stainless steel caused by hydrogen ion irradiation were investigated using transmission electron microscopy (TEM). It has been confirmed that the irradiation induced the formation of martensite along the grain boundary; the martensite phase exhibited a crystal orientation relationship with the adjacent austenite phase. The results of this study also indicate that the concentration of Cr in the martensite phase is lower compared to that in the austenite matrix. The TEM results showed the development of asymmetric radiation-induced segregation (RIS) near the grain boundary, which leads to local changes in the chemical composition such as reduction of Cr near the grain boundary. The asymmetric RIS serves as a prerequisite for the formation of the martensite under hydrogen irradiation.

Experimental determination of the phase relationships in Zr/2.5 8.0 at% Nb/0 6.7 at% Al alloys with 750 at ppm 0 and 250 at ppm N between 730 900° C

NASA Astrophysics Data System (ADS)

Peruzzi, A.; Bolcich, J.

1990-11-01

Zr alloys with 2.5 to 8.0 at% Nb and 0 to 6.7 at% Al were subjected to dynamic and static treatments between 730-900° C and studied by qualitative and quantitative optical metallography, electrical resistance, X-ray diffractometry and electron microanalysis. The experimental data were analyzed by taking into account the effects of oxygen and nitrogen impurities. The main results for Zn-Nb-Al alloys with 750 at ppm O and 250 at ppm N are the following: (i) Equilibrium relationships are established between the α (hcp), β (bcc) and Zr 3Al (Cu 3Au) phases along isothermal sections at 730, 771 and 800°C. (ii) The β/ α + β boundaries are determined along iso-aluminum vertical sections at 6.7, 3.3 and 0 at% Al. (iii) The addition of Al to Zr-Nb alloys increases the solubility of Nb in the α phase, its maximum value at 730° C being about 0.7-0.8 at% for 4 at% Al. (iv) Solubility values for Al in the α-phase of Zr-Al were estimated by extrapolation from ternary alloys. These estimates help to solve an existing discrepancy in the Zr-Al system.

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

Baidakov, Vladimir G., E-mail: baidakov@itp.uran.ru; Tipeev, Azat O.

The method of molecular dynamics simulation has been used to investigate the phase decay of a metastable Lennard-Jones face-centered cubic crystal at positive and negative pressures. It is shown that at high degrees of metastability, crystal decay proceeds through the spontaneous formation and growth of new-phase nuclei. It has been found that there exists a certain boundary temperature. Below this temperature, the crystal phase disintegrates as the result of formation of voids, and above, as a result of formation of liquid droplets. The boundary temperature corresponds to the temperature of cessation of a crystal–liquid phase equilibrium when the melting linemore » comes in contact with the spinodal of the stretched liquid. The results of the simulations are interpreted in the framework of classical nucleation theory. The thermodynamics of phase transitions in solids has been examined with allowance for the elastic energy of stresses arising owing to the difference in the densities of the initial and the forming phases. As a result of the action of elastic forces, at negative pressures, the boundary of the limiting superheating (stretching) of a crystal approaches the spinodal, on which the isothermal bulk modulus of dilatation becomes equal to zero. At the boundary of the limiting superheating (stretching), the shape of liquid droplets and voids is close to the spherical one.« less

Phase behavior of casein micelles/exocellular polysaccharide mixtures: Experiment and theory

NASA Astrophysics Data System (ADS)

Tuinier, R.; de Kruif, C. G.

1999-05-01

Dispersions of casein micelles and an exocellular polysaccharide (EPS), obtained from Lactococcus lactis subsp. cremoris NIZO B40 EPS, show a phase separation. The phase separation is of the colloidal gas-liquid type. We have determined a phase diagram that describes the separation of skim milk with EPS into a casein-micelle rich phase and an EPS rich phase. We compare the phase diagram with those calculated from theories developed by Vrij, and by Lekkerkerker and co-workers, showing that the experimental phase boundary can be predicted quite well. From dynamic light scattering measurements of the self-diffusion of the casein micelles in the presence of EPS the spinodal could be located and it corresponds with the experimental phase boundary.

Equilibrium polymerization models of re-entrant self-assembly

NASA Astrophysics Data System (ADS)

Dudowicz, Jacek; Douglas, Jack F.; Freed, Karl F.

2009-04-01

As is well known, liquid-liquid phase separation can occur either upon heating or cooling, corresponding to lower and upper critical solution phase boundaries, respectively. Likewise, self-assembly transitions from a monomeric state to an organized polymeric state can proceed either upon increasing or decreasing temperature, and the concentration dependent ordering temperature is correspondingly called the "floor" or "ceiling" temperature. Motivated by the fact that some phase separating systems exhibit closed loop phase boundaries with two critical points, the present paper analyzes self-assembly analogs of re-entrant phase separation, i.e., re-entrant self-assembly. In particular, re-entrant self-assembly transitions are demonstrated to arise in thermally activated equilibrium self-assembling systems, when thermal activation is more favorable than chain propagation, and in equilibrium self-assembly near an adsorbing boundary where strong competition exists between adsorption and self-assembly. Apparently, the competition between interactions or equilibria generally underlies re-entrant behavior in both liquid-liquid phase separation and self-assembly transitions.

Predicting boundary shear stress and sediment transport over bed forms

USGS Publications Warehouse

McLean, S.R.; Wolfe, S.R.; Nelson, J.M.

1999-01-01

To estimate bed-load sediment transport rates in flows over bed forms such as ripples and dunes, spatially averaged velocity profiles are frequently used to predict mean boundary shear stress. However, such averaging obscures the complex, nonlinear interaction of wake decay, boundary-layer development, and topographically induced acceleration downstream of flow separation and often leads to inaccurate estimates of boundary stress, particularly skin friction, which is critically important in predicting bed-load transport rates. This paper presents an alternative methodology for predicting skin friction over 2D bed forms. The approach is based on combining the equations describing the mechanics of the internal boundary layer with semiempirical structure functions to predict the velocity at the crest of a bedform, where the flow is most similar to a uniform boundary layer. Significantly, the methodology is directed toward making specific predictions only at the bed-form crest, and as a result it avoids the difficulty and questionable validity of spatial averaging. The model provides an accurate estimate of the skin friction at the crest where transport rates are highest. Simple geometric constraints can be used to derive the mean transport rates as long as bed load is dominant.To estimate bed-load sediment transport rates in flows over bed forms such as ripples and dunes, spatially averaged velocity profiles are frequently used to predict mean boundary shear stress. However, such averaging obscures the complex, nonlinear interaction of wake decay, boundary-layer development, and topographically induced acceleration downstream of flow separation and often leads to inaccurate estimates of boundary stress, particularly skin friction, which is critically important in predicting bed-load transport rates. This paper presents an alternative methodology for predicting skin friction over 2D bed forms. The approach is based on combining the equations describing the mechanics of the internal boundary layer with semiempirical structure functions to predict the velocity at the crest of a bedform, where the flow is most similar to a uniform boundary layer. Significantly, the methodology is directed toward making specific predictions only at the bed-form crest, and as a result it avoids the difficulty and questionable validity of spatial averaging. The model provides an accurate estimate of the skin friction at the crest where transport rates are highest. Simple geometric constraints can be used to derive the mean transport rates as long as bed load is dominant.

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

Favorite, Jeffrey A.; Gonzalez, Esteban

Adjoint-based first-order perturbation theory is applied again to boundary perturbation problems. Rahnema developed a perturbation estimate that gives an accurate first-order approximation of a flux or reaction rate within a radioactive system when the boundary is perturbed. When the response of interest is the flux or leakage current on the boundary, the Roussopoulos perturbation estimate has long been used. The Rahnema and Roussopoulos estimates differ in one term. Our paper shows that the Rahnema and Roussopoulos estimates can be derived consistently, using different responses, from a single variational functional (due to Gheorghiu and Rahnema), resolving any apparent contradiction. In analyticmore » test problems, Rahnema’s estimate and the Roussopoulos estimate produce exact first derivatives of the response of interest when appropriately applied. We also present a realistic, nonanalytic test problem.« less

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

NASA Technical Reports Server (NTRS)

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

Hidden magnetism and quantum criticality in the heavy fermion superconductor CeRhIn5.

PubMed

Park, Tuson; Ronning, F; Yuan, H Q; Salamon, M B; Movshovich, R; Sarrao, J L; Thompson, J D

2006-03-02

With only a few exceptions that are well understood, conventional superconductivity does not coexist with long-range magnetic order (for example, ref. 1). Unconventional superconductivity, on the other hand, develops near a phase boundary separating magnetically ordered and magnetically disordered phases. A maximum in the superconducting transition temperature T(c) develops where this boundary extrapolates to zero Kelvin, suggesting that fluctuations associated with this magnetic quantum-critical point are essential for unconventional superconductivity. Invariably, though, unconventional superconductivity masks the magnetic phase boundary when T < T(c), preventing proof of a magnetic quantum-critical point. Here we report specific-heat measurements of the pressure-tuned unconventional superconductor CeRhIn5 in which we find a line of quantum-phase transitions induced inside the superconducting state by an applied magnetic field. This quantum-critical line separates a phase of coexisting antiferromagnetism and superconductivity from a purely unconventional superconducting phase, and terminates at a quantum tetracritical point where the magnetic field completely suppresses superconductivity. The T --> 0 K magnetic field-pressure phase diagram of CeRhIn5 is well described with a theoretical model developed to explain field-induced magnetism in the high-T(c) copper oxides, but in which a clear delineation of quantum-phase boundaries has not been possible. These experiments establish a common relationship among hidden magnetism, quantum criticality and unconventional superconductivity in copper oxides and heavy-electron systems such as CeRhIn5.

Presence of a monoclinic (Pm) phase in the morphotropic phase boundary region of multiferroic (1 − x)Bi(Ni{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} solid solution: A Rietveld study

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

Pandey, Rishikesh, E-mail: akhilesh-bhu@yahoo.com, E-mail: aksingh.mst@itbhu.ac.in; Singh, Akhilesh Kumar, E-mail: akhilesh-bhu@yahoo.com, E-mail: aksingh.mst@itbhu.ac.in

2014-07-28

We present here the results of structural studies on multiferroic (1 − x)Bi(Ni{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} solid solution using Rietveld analysis on powder x-ray diffraction data in the composition range 0.35 ≤ x ≤ 0.55. The stability region of various crystallographic phases at room temperature for (1 − x)Bi(Ni{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} is determined precisely. Structural transformation from pseudo-cubic (x ≤ 0.40) to tetragonal (x ≥ 0.50) phase is observed via phase coexistence region demarcating the morphotropic phase boundary. The morphotropic phase boundary region consists of coexisting tetragonal and monoclinic structures with space group P4mm and Pm, respectively, stable in composition range 0.41 ≤ x ≤ 0.49 as confirmed by Rietveld analysis. The resultsmore » of Rietveld analysis completely rule out the coexistence of rhombohedral and tetragonal phases in the morphotropic phase boundary region reported by earlier workers. A comparison between the bond lengths for “B-site cations-oxygen anions” obtained after Rietveld refinement, with the bond length calculated using Shannon-Prewitt ionic radii, reveals the ionic nature of B-O (Ni/Ti-O) bonds for the cubic phase and partial covalent character for the other crystallographic phases.« less

Growth of AlGaN under the conditions of significant gallium evaporation: Phase separation and enhanced lateral growth

NASA Astrophysics Data System (ADS)

Mayboroda, I. O.; Knizhnik, A. A.; Grishchenko, Yu. V.; Ezubchenko, I. S.; Zanaveskin, Maxim L.; Kondratev, O. A.; Presniakov, M. Yu.; Potapkin, B. V.; Ilyin, V. A.

2017-09-01

The growth kinetics of AlGaN in NH3 MBE under significant Ga desorption was studied. It was found that the addition of gallium stimulates 2D growth and provides better morphology of films compared to pure AlN. The effect was experimentally observed at up to 98% desorption of the impinging gallium. We found that under the conditions of significant thermal desorption, larger amounts of gallium were retained at lateral boundaries of 3D surface features than at flat terraces because of the higher binding energy of Ga atoms at specific surface defects. The selective accumulation of gallium resulted in an increase in the lateral growth component through the formation of the Ga-enriched AlGaN phase at boundaries of 3D surface features. We studied the temperature dependence of AlGaN growth rate and developed a kinetic model analytically describing this dependence. As the model was in good agreement with the experimental data, we used it to estimate the increase in the binding energy of Ga atoms at surface defects compared to terrace surface sites using data on the Ga content in different AlGaN phases. We also applied first-principles calculations to the thermodynamic analysis of stable configurations on the AlN surface and then used these surface configurations to compare the binding energy of Ga atoms at terraces and steps. Both first-principles calculations and analytical estimations of the experimental results gave similar values of difference in binding energies; this value is 0.3 eV. Finally, it was studied experimentally whether gallium can act as a surfactant in AlN growth by NH3 MBE at elevated temperatures. Gallium application has allowed us to grow a 300 nm thick AlN film with a RMS surface roughness of 2.2 Å over an area of 10 × 10 μm and a reduced density of screw dislocations.

A comparison between CloudSat and aircraft data for a multilayer, mixed phase cloud system during the Canadian CloudSat-CALIPSO Validation Project

NASA Astrophysics Data System (ADS)

Barker, H. W.; Korolev, A. V.; Hudak, D. R.; Strapp, J. W.; Strawbridge, K. B.; Wolde, M.

2008-04-01

Reflectivities recorded by the W-band Cloud Profiling Radar (CPR) aboard NASA's CloudSat satellite and some of CloudSat's retrieval products are compared to Ka-band radar reflectivities and in situ cloud properties gathered by instrumentation on the NRC's Convair-580 aircraft. On 20 February 2007, the Convair flew several transects along a 60 nautical mile stretch of CloudSat's afternoon ground track over southern Quebec. On one of the transects it was well within CloudSat's radar's footprint while in situ sampling a mixed phase boundary layer cloud. A cirrus cloud was also sampled before and after overpass. Air temperature and humidity profiles from ECMWF reanalyses, as employed in CloudSat's retrieval stream, agree very well with those measured by the Convair. The boundary layer cloud was clearly visible, to the eye and lidar, and dominated the region's solar radiation budget. It was, however, often below or near the Ka-band's distance-dependent minimum detectable signal. In situ samples at overpass revealed it to be composed primarily of small, supercooled droplets at the south end and increasingly intermixed with ice northward. Convair and CloudSat CPR reflectivities for the low cloud agree well, but while CloudSat properly ascribed it as overcast, mixed phase, and mostly liquid near the south end, its estimates of liquid water content LWC (and visible extinction coefficient κ) and droplet effective radii are too small and large, respectively. The cirrus consisted largely of irregular crystals with typical effective radii ˜150 μm. While both CPR reflectivities agree nicely, CloudSat's estimates of crystal number concentrations are too large by a factor of 5. Nevertheless, distributions of ice water content and κ deduced from in situ data agree quite well with values retrieved from CloudSat algorithms.

Automatic estimation of heart boundaries and cardiothoracic ratio from chest x-ray images

NASA Astrophysics Data System (ADS)

Dallal, Ahmed H.; Agarwal, Chirag; Arbabshirani, Mohammad R.; Patel, Aalpen; Moore, Gregory

2017-03-01

Cardiothoracic ratio (CTR) is a widely used radiographic index to assess heart size on chest X-rays (CXRs). Recent studies have suggested that also two-dimensional CTR might contain clinical information about the heart function. However, manual measurement of such indices is both subjective and time consuming. This study proposes a fast algorithm to automatically estimate CTR indices based on CXRs. The algorithm has three main steps: 1) model based lung segmentation, 2) estimation of heart boundaries from lung contours, and 3) computation of cardiothoracic indices from the estimated boundaries. We extended a previously employed lung detection algorithm to automatically estimate heart boundaries without using ground truth heart markings. We used two datasets: a publicly available dataset with 247 images as well as clinical dataset with 167 studies from Geisinger Health System. The models of lung fields are learned from both datasets. The lung regions in a given test image are estimated by registering the learned models to patient CXRs. Then, heart region is estimated by applying Harris operator on segmented lung fields to detect the corner points corresponding to the heart boundaries. The algorithm calculates three indices, CTR1D, CTR2D, and cardiothoracic area ratio (CTAR). The method was tested on 103 clinical CXRs and average error rates of 7.9%, 25.5%, and 26.4% (for CTR1D, CTR2D, and CTAR respectively) were achieved. The proposed method outperforms previous CTR estimation methods without using any heart templates. This method can have important clinical implications as it can provide fast and accurate estimate of cardiothoracic indices.

Spatiotemporal motion boundary detection and motion boundary velocity estimation for tracking moving objects with a moving camera: a level sets PDEs approach with concurrent camera motion compensation.

PubMed

Feghali, Rosario; Mitiche, Amar

2004-11-01

The purpose of this study is to investigate a method of tracking moving objects with a moving camera. This method estimates simultaneously the motion induced by camera movement. The problem is formulated as a Bayesian motion-based partitioning problem in the spatiotemporal domain of the image quence. An energy functional is derived from the Bayesian formulation. The Euler-Lagrange descent equations determine imultaneously an estimate of the image motion field induced by camera motion and an estimate of the spatiotemporal motion undary surface. The Euler-Lagrange equation corresponding to the surface is expressed as a level-set partial differential equation for topology independence and numerically stable implementation. The method can be initialized simply and can track multiple objects with nonsimultaneous motions. Velocities on motion boundaries can be estimated from geometrical properties of the motion boundary. Several examples of experimental verification are given using synthetic and real-image sequences.

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

Park, J.; Kucharek, H.; Möbius, E.

In this paper we report on a two-year study to estimate the Ne/O abundance ratio in the gas phase of the local interstellar cloud (LIC). Based on the first two years of observations with the Interstellar Boundary Explorer, we determined the fluxes of interstellar neutral (ISN) O and Ne atoms at the Earth's orbit in spring 2009 and 2010. A temporal variation of the Ne/O abundance ratio at the Earth's orbit could be expected due to solar cycle-related effects such as changes of ionization. However, this study shows that there is no significant change in the Ne/O ratio at themore » Earths orbit from 2009 to 2010. We used time-dependent survival probabilities of the ISNs to calculate the Ne/O abundance ratio at the termination shock. Then we estimated the Ne/O abundance ratio in the gas phase of the LIC with the use of filtration factors and the ionization fractions. From our analysis, the Ne/O abundance ratio in the LIC is 0.33 ± 0.07, which is in agreement with the abundance ratio inferred from pickup-ion measurements.« less

The deconfining phase transition in and out of equilibrium

NASA Astrophysics Data System (ADS)

Bazavov, Oleksiy

Recent experiments carried out at the Relativistic Heavy Ion Collider at the Brookhaven National Laboratory provide strong evidence that a matter can be driven from a confined, low-temperature phase, observed in our every day world into a deconfined high-temperature phase of liberated quarks and gluons. The equilibrium and dynamical properties of the deconfining phase transition are thus of great theoretical interest, since they also provide an information about the first femtoseconds of the evolution of our Universe, when the hot primordial soup while cooling has undergone a chain of phase transitions. The aspects of the deconfining phase transition studied in this work include: the dynamics of the SU(3) gauge theory after the heating quench (which models rapid heating in the heavy-ion collisions), equilibrium properties of the phase transition in the SU(3) gauge theory with boundaries at low temperature (small volumes at RHIC suggest that boundary effects cannot be neglected and periodic boundary conditions normally used in lattice simulations do not correspond to the experimental situation), and a study of the order of the transition in U(1) gauge theory.

Global significance of a sub-Moho boundary layer (SMBL) deduced from high-resolution seismic observations

USGS Publications Warehouse

Fuchs, K.; Tittgemeyer, M.; Ryberg, T.; Wenzel, F.; Mooney, W.

2002-01-01

We infer the fine structure of a sub-Moho boundary layer (SMBL) at the top of the lithospheric mantle from high-resolution seismic observations of Peaceful Nuclear Explosions (PNE) on superlong-range profiles in Russia. Densely recorded seismograms permit recognition of previously unknown features of teleseismic propagation of the well known Pn and Sn phases, such as a band of incoherent, scattered, high-frequency seismic energy, developing consistently from station to station, apparent velocities of sub-Moho material, and high-frequency energy to distances of more than 3000 km with a coda band, incoherent at 10 km spacing and yet consistently observed to the end of the profiles. Estimates of the other key elements of the SMBL were obtained by finite difference calculations of wave propagation in elastic 2D models from a systematic grid search through parameter space. The SMBL consists of randomly distributed, mild velocity fluctuations of 2% or schlieren of high aspect ratios (???40) with long horizontal extent (???20 km) and therefore as thin as 0.5 km only; SMBL thickness is 60-100 km. It is suggested that the SMBL is of global significance as the physical base of the platewide observed high-frequency phases Pn and Sn. It is shown that wave propagation in the SMBL waveguide is insensitive to the background velocity distribution on which its schlieren are superimposed. This explains why the Pn and Sn phases traverse geological provinces of various age, heat flow, crustal thickness, and tectonic regimes. Their propagation appears to be independent of age. temperature, pressure, and stress. Dynamic stretching of mantle material during subduction or flow, possibly combined with chemical differentiation have to be considered as scale-forming processes in the upper mantle. However, it is difficult to distinguish with the present sets of Pn/Sn array data whether (and also where) the boundary layer is a frozen-in feature of paleo-processes or whether it is a response to an on-going processes; nevertheless, the derived quantitative estimates of the SMBL properties provide important constraints for any hypothesis on scale-forming processes. Models to be tested by future numerical and field experiments are, for example, repeated subduction-convection stretching of oceanic lithosphere (marble-cake model) and schlieren formation at mid-ocean ridges. It is also proposed that the modeling of the observed blocking of Sn and Pn propagation at active plate margins offers a new tool to study the depth range of tectonics below the crust-mantle boundary. Finally, the deduced schlieren structure of the SMBL closes an important scale gap of three to four orders of magnitude between structural dimensions studied in petrological analysis of mantle samples (xenoliths or outcrop of oceanic lithosphere) and those imaged in classical seismological studies of the lithosphere.

Friction and Wear Modifiers Using Solvent Partitioning of Hydrophilic Surface-interactive Chemicals Contained in Boundary Layer-targeted Emulsions

NASA Technical Reports Server (NTRS)

Richmond, Robert Chafee (Inventor); Schramm, Jr., Harry F. (Inventor); Defalco, Francis G. (Inventor)

2013-01-01

A wear and/or friction reducing additive for a lubricating fluid in which the additive is a combination of a moderately hydrophilic single-phase compound and an anti-wear and/or anti-friction aqueous salt solution. The aqueous salt solution produces a coating on boundary layer surfaces. The lubricating fluid can be an emulsion-free hydrophobic oil, hydraulic fluid, antifreeze, or water. Preferably, the moderately hydrophilic single-phase compound is sulfonated castor oil and the aqueous salt solution additionally contains boric acid and zinc oxide. The emulsions produced by the aqueous salt solutions, the moderately hydrophilic single-phase compounds, or the combination thereof provide targeted boundary layer organizers that significantly enhance the anti-wear and/or anti-friction properties of the base lubricant by decreasing wear and/or friction of sliding and/or rolling surfaces at boundary layers.

Friction and Wear Modifiers Using Solvent Partitioning of Hydrophilic Surface-Interactive Chemicals Contained in Boundary Layer-Targeted Emulsions

NASA Technical Reports Server (NTRS)

Defalco, Francis G. (Inventor); Richmond, Robert Chaffee (Inventor); Schramm, Jr., Harry F. (Inventor)

2017-01-01

A wear and/or friction reducing additive for a lubricating fluid in which the additive is a combination of a moderately hydrophilic single-phase compound and an anti-wear and/or anti-friction aqueous salt solution. The aqueous salt solution produces a coating on boundary layer surfaces. The lubricating fluid can be an emulsion-free hydrophobic oil, hydraulic fluid, antifreeze, water, or a water-based lubricant. Preferably, the moderately hydrophilic single-phase compound is sulfonated castor oil and the aqueous salt solution additionally contains boric acid and zinc oxide. The emulsions produced by the aqueous salt solutions, the moderately hydrophilic single-phase compounds, or the combination thereof provide targeted boundary layer organizers that significantly enhance the anti-wear and/or anti-friction properties of the base lubricant by decreasing wear and/or friction of sliding and/or rolling surfaces at boundary layers.

Friction and Wear Modifiers Using Solvent Partitioning of Hydrophilic Surface-Interactive Chemicals Contained in Boundary Layer-Targeted Emulsions

NASA Technical Reports Server (NTRS)

Defalco, Francis G. (Inventor); Richmond, Robert Chaffee (Inventor); Schramm, Harry F., Jr. (Inventor)

2016-01-01

A wear and/or friction reducing additive for a lubricating fluid in which the additive is a combination of a moderately hydrophilic single-phase compound and an anti-wear and/or anti-friction aqueous salt solution. The aqueous salt solution produces a coating on boundary layer surfaces. The lubricating fluid can be an emulsion-free hydrophobic oil, hydraulic fluid, antifreeze, or water. Preferably, the moderately hydrophilic single-phase compound is sulfonated castor oil and the aqueous salt solution additionally contains boric acid and zinc oxide. The emulsions produced by the aqueous salt solutions, the moderately hydrophilic single-phase compounds, or the combination thereof provide targeted boundary layer organizers that significantly enhance the anti-wear and/or anti-friction properties of the base lubricant by decreasing wear and/or friction of sliding and/or rolling surfaces at boundary layers.

Holographic P -wave superconductors in 1 +1 dimensions

NASA Astrophysics Data System (ADS)

Alkac, Gokhan; Chakrabortty, Shankhadeep; Chaturvedi, Pankaj

2017-10-01

We study (1 +1 )-dimensional P -wave holographic superconductors described by three- dimensional Einstein-Maxwell gravity coupled to a massive complex vector field in the context of AdS3/CFT2 correspondence. In the probe limit, where the backreaction of matter fields is neglected, we show that there is a formation of a vector hair around the black hole below a certain critical temperature. In the dual strongly coupled (1 +1 )-dimensional boundary theory, this holographically corresponds to the formation of a charged vector condensate which breaks spontaneously both the U (1 ) and S O (1 ,1 ) symmetries. We numerically compute both the free energy and the ac conductivity for the superconducting phase of the boundary field theory. Our numerical computations clearly establish that the superconducting phase of the boundary theory is favorable to the normal phase, and the presence of a magnetic moment term in the dual bulk theory effects the conductivity in the boundary field theory.

Phase-field model with plastic flow for grain growth in nanocrystalline material

NASA Astrophysics Data System (ADS)

Steinbach, Ingo; Song, Xiaoyan; Hartmaier, Alexander

2010-01-01

A phase-field model is presented which considers the accumulation of structural defects in grain boundaries by an isotropic eigenstrain associated with the grain boundaries. It is demonstrated that the elastic energy caused by dilatation of the grain boundary with respect to the bulk crystal contributes largely to the grain boundary energy. The sign of this contribution can be both positive and negative dependent on the local stress state in the grain boundary. Self-diffusion of atoms is taken into account to relax the stress caused by the dilatation of the grain boundary. Application of the model to discontinuous grain growth in pure nanocrystalline cobalt material is presented. Linear grain growth is found in the nanocrystalline state, which is explained by the interpretation of grain boundary motion as a diffusive process defining an upper limit of the grain boundary velocity independent of the grain boundary curvature but dependent on temperature. The transition to regular grain growth at a critical temperature, as observed experimentally, is explained by the drop of theoretical grain boundary velocity due to its mean curvature during coarsening of the nanograin structure below the maximum velocity.

Single-Track Melt-Pool Measurements and Microstructures in Inconel 625

NASA Astrophysics Data System (ADS)

Ghosh, Supriyo; Ma, Li; Levine, Lyle E.; Ricker, Richard E.; Stoudt, Mark R.; Heigel, Jarred C.; Guyer, Jonathan E.

2018-06-01

We use single-track laser melting experiments and simulations on Inconel 625 to estimate the dimensions and microstructure of the resulting melt pool. Our work is based on a design-of-experiments approach which uses multiple laser power and scan speed combinations. Single-track experiments generated melt pools of certain dimensions that showed reasonable agreement with our finite-element calculations. Phase-field simulations were used to predict the size and segregation of the cellular microstructure that formed along the melt-pool boundaries for the solidification conditions that changed as a function of melt-pool dimensions.

Analytical procedures for estimating structural response to acoustic fields generated by advanced launch systems, phase 2

NASA Technical Reports Server (NTRS)

Elishakoff, Isaac; Lin, Y. K.; Zhu, Li-Ping; Fang, Jian-Jie; Cai, G. Q.

1994-01-01

This report supplements a previous report of the same title submitted in June, 1992. It summarizes additional analytical techniques which have been developed for predicting the response of linear and nonlinear structures to noise excitations generated by large propulsion power plants. The report is divided into nine chapters. The first two deal with incomplete knowledge of boundary conditions of engineering structures. The incomplete knowledge is characterized by a convex set, and its diagnosis is formulated as a multi-hypothesis discrete decision-making algorithm with attendant criteria of adaptive termination.

Single-Track Melt-Pool Measurements and Microstructures in Inconel 625

NASA Astrophysics Data System (ADS)

Ghosh, Supriyo; Ma, Li; Levine, Lyle E.; Ricker, Richard E.; Stoudt, Mark R.; Heigel, Jarred C.; Guyer, Jonathan E.

2018-02-01

We use single-track laser melting experiments and simulations on Inconel 625 to estimate the dimensions and microstructure of the resulting melt pool. Our work is based on a design-of-experiments approach which uses multiple laser power and scan speed combinations. Single-track experiments generated melt pools of certain dimensions that showed reasonable agreement with our finite-element calculations. Phase-field simulations were used to predict the size and segregation of the cellular microstructure that formed along the melt-pool boundaries for the solidification conditions that changed as a function of melt-pool dimensions.

Near Surface Seismic Hazard Characterization in the Presence of High Velocity Contrasts

NASA Astrophysics Data System (ADS)

Gribler, G.; Mikesell, D.; Liberty, L. M.

2017-12-01

We present new multicomponent surface wave processing techniques that provide accurate characterization of near-surface conditions in the presence of large lateral or vertical shear wave velocity boundaries. A common problem with vertical component Rayleigh wave analysis in the presence of high contrast subsurface conditions is Rayleigh wave propagation mode misidentification due to an overlap of frequency-phase velocity domain dispersion, leading to an overestimate of shear wave velocities. By using the vertical and horizontal inline component signals, we isolate retrograde and prograde particle motions to separate fundamental and higher mode signals, leading to more accurate and confident dispersion curve picks and shear wave velocity estimates. Shallow, high impedance scenarios, such as the case with shallow bedrock, are poorly constrained when using surface wave dispersion information alone. By using a joint inversion of dispersion and horizontal-to-vertical (H/V) curves within active source frequency ranges (down to 3 Hz), we can accurately estimate the depth to high impedance boundaries, a significant improvement compared to the estimates based on dispersion information alone. We compare our approach to body wave results that show comparable estimates of bedrock topography. For lateral velocity contrasts, we observe horizontal polarization of Rayleigh waves identified by an increase in amplitude and broadening of the horizontal spectra with little variation in the vertical component spectra. The horizontal spectra offer a means to identify and map near surface faults where there is no topographic or clear body wave expression. With these new multicomponent active source seismic data processing and inversion techniques, we better constrain a variety of near surface conditions critical to the estimation of local site response and seismic hazards.

Classical topological paramagnetism

NASA Astrophysics Data System (ADS)

Bondesan, R.; Ringel, Z.

2017-05-01

Topological phases of matter are one of the hallmarks of quantum condensed matter physics. One of their striking features is a bulk-boundary correspondence wherein the topological nature of the bulk manifests itself on boundaries via exotic massless phases. In classical wave phenomena, analogous effects may arise; however, these cannot be viewed as equilibrium phases of matter. Here, we identify a set of rules under which robust equilibrium classical topological phenomena exist. We write simple and analytically tractable classical lattice models of spins and rotors in two and three dimensions which, at suitable parameter ranges, are paramagnetic in the bulk but nonetheless exhibit some unusual long-range or critical order on their boundaries. We point out the role of simplicial cohomology as a means of classifying, writing, and analyzing such models. This opens an experimental route for studying strongly interacting topological phases of spins.

Topological Luttinger liquids from decorated domain walls

NASA Astrophysics Data System (ADS)

Parker, Daniel E.; Scaffidi, Thomas; Vasseur, Romain

2018-04-01

We introduce a systematic construction of a gapless symmetry-protected topological phase in one dimension by "decorating" the domain walls of Luttinger liquids. The resulting strongly interacting phases provide a concrete example of a gapless symmetry-protected topological (gSPT) phase with robust symmetry-protected edge modes. Using boundary conformal field theory arguments, we show that while the bulks of such gSPT phases are identical to conventional Luttinger liquids, their boundary critical behavior is controlled by a different, strongly coupled renormalization group fixed point. Our results are checked against extensive density matrix renormalization group calculations.

Local phase space and edge modes for diffeomorphism-invariant theories

NASA Astrophysics Data System (ADS)

Speranza, Antony J.

2018-02-01

We discuss an approach to characterizing local degrees of freedom of a subregion in diffeomorphism-invariant theories using the extended phase space of Donnelly and Freidel [36]. Such a characterization is important for defining local observables and entanglement entropy in gravitational theories. Traditional phase space constructions for subregions are not invariant with respect to diffeomorphisms that act at the boundary. The extended phase space remedies this problem by introducing edge mode fields at the boundary whose transformations under diffeomorphisms render the extended symplectic structure fully gauge invariant. In this work, we present a general construction for the edge mode symplectic structure. We show that the new fields satisfy a surface symmetry algebra generated by the Noether charges associated with the edge mode fields. For surface-preserving symmetries, the algebra is universal for all diffeomorphism-invariant theories, comprised of diffeomorphisms of the boundary, SL(2, ℝ) transformations of the normal plane, and, in some cases, normal shearing transformations. We also show that if boundary conditions are chosen such that surface translations are symmetries, the algebra acquires a central extension.

Structural phase transitions in the Ag{sub 2}Nb{sub 4}O{sub 11}-Na{sub 2}Nb{sub 4}O{sub 11} solid solution

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

Woodward, David I., E-mail: d.i.woodward@warwick.ac.uk; Lees, Martin R.; Thomas, Pam A.

2012-08-15

The phase transitions between various structural modifications of the natrotantite-structured system xAg{sub 2}Nb{sub 4}O{sub 11}-(1-x)Na{sub 2}Nb{sub 4}O{sub 11} have been investigated and a phase diagram constructed as a function of temperature and composition. This shows three separate phase transition types: (1) paraelectric-ferroelectric, (2) rhombohedral-monoclinic and (3) a phase transition within the ferroelectric rhombohedral zone between space groups R3c and R3. The parent structure for the entire series has space group R3{sup Macron }c. Compositions with x>0.75 are rhombohedral at all temperatures whereas compositions with x<0.75 are all monoclinic at room temperature and below. At x=0.75, rhombohedral and monoclinic phases coexistmore » with the phase boundary below room temperature being virtually temperature-independent. The ferroelectric phase boundary extends into the monoclinic phase field. No evidence was found for the R3-R3c phase boundary extending into the monoclinic phase field and it is concluded that a triple point is formed. - Graphical abstract: Phase diagram for xAg{sub 2}Nb{sub 4}O{sub 11}-(1-x)Na{sub 2}Nb{sub 4}O{sub 11} solid solution showing changes in crystal symmetry as a function of temperature and composition. The crystal structure is depicted. Highlights: Black-Right-Pointing-Triangle Ferroelectric, rhombohedral Ag{sub 2}Nb{sub 4}O{sub 11} in solid solution with monoclinic Na{sub 2}Nb{sub 4}O{sub 11}. Black-Right-Pointing-Triangle Three phase boundaries were studied as a function of composition and temperature. Black-Right-Pointing-Triangle Both rhombohedral and monoclinic variants exhibit ferroelectricity. The parent phase of the series has space group R3{sup Macron }c.« less

An Experimental and Modeling Study of Evaporation from Bare Soils Subjected to Natural Boundary Conditions at the Land-Atmospheric Interface

NASA Astrophysics Data System (ADS)

Smits, K. M.; Ngo, V. V.; Cihan, A.; Sakaki, T.; Illangasekare, T. H.; kathleen m smits

2011-12-01

Bare soil evaporation is a key process for water exchange between the land and the atmosphere and an important component of the water balance in semiarid and arid regions. However, there is no agreement on the best methodology to determine evaporation under different boundary conditions. Because it is difficult to measure evaporation from soil,with the exception of using lysimeters, numerous formulations have been proposed to establish a relationship between the rate of evaporation and soil moisture and/or soil temperature and thermal properties. Different formulations vary in how they partition available energy and include, among others, a classical bulk aerodynamic formulation which requires knowledge of the relative humidity at the soil surface and a more non-traditional heat balance method which requires knowledge of soil temperature and soil thermal properties. A need exists to systematically compare existing methods to experimental data under highly controlled conditions not achievable in the field. The goal of this work is to perform controlled experiments under transient conditions of soil moisture, temperature and wind at the land/atmospheric interface to test different conceptual and mathematical formulations for evaporation rate estimates and to develop appropriate numerical models to be used in simulations. In this study, to better understand the coupled water-vapor-heat flow processes in the shallow subsurface near the land surface, we modified a previously developed theory that allows non-equilibrium liquid/gas phase change with gas phase vapor diffusion to better account for evaporation under dry soil conditions. This theory was used to compare estimates of evaporation based on different formulations of the bulk aerodynamic and heat balance methods. In order to experimentally validate the numerical formulations/code, we performed a series of two-dimensional physical model experiments under varying boundary conditions using test sand for which the hydraulic and thermal properties were well characterized. We developed a unique two dimensional cell apparatus equipped with a network of sensors for automated and continuous monitoring of soil moisture, soil and air temperature and relative humidity, and wind velocity. Precision data under well-controlled transient heat and wind boundary conditions was generated. Results from numerical simulations were compared with experimental data. Results demonstrate the importance of properly characterizing soil thermal properties and accounting for dry soil conditions to properly estimate evaporation. Initial comparisons of various formulations of evaporation demonstrate the need for joint evaluation of heat and mass transfer for better modeling accuracy. Detailed comparisons are still underway. This knowledge is applicable to many current hydrologic and environmental problems to include climate modeling and the simulation of contaminant transport and volatilization in the shallow subsurface.

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

Jo, J.C.; Shin, W.K.; Choi, C.Y.

Transient heat transfer problems with phase changes (Stefan problems) occur in many engineering situations, including potential core melting and solidification during pressurized-water-reactor severe accidents, ablation of thermal shields, melting and solidification of alloys, and many others. This article addresses the numerical analysis of nonlinear transient heat transfer with melting or solidification. An effective and simple procedure is presented for the simulation of the motion of the boundary and the transient temperature field during the phase change process. To accomplish this purpose, an iterative implicit solution algorithm has been developed by employing the dual-reciprocity boundary-element method. The dual-reciprocity boundary-element approach providedmore » in this article is much simpler than the usual boundary-element method in applying a reciprocity principle and an available technique for dealing with the domain integral of the boundary element formulation simultaneously. In this article, attention is focused on two-dimensional melting (ablation)/solidification problems for simplicity. The accuracy and effectiveness of the present analysis method have been illustrated through comparisons of the calculation results of some examples of one-phase ablation/solidification problems with their known semianalytical or numerical solutions where available.« less

Microstructural Evaluations of Baseline HSR/EPM Disk Alloys

NASA Technical Reports Server (NTRS)

Gabb, Timothy P.; Garg, Anita; Ellis, David L.

2004-01-01

Six alloys representing two classes of powder metallurgy nickel-based superalloys were examined by transmission electron microscopy (TEM) and phase extraction. Alloys KM4, CH98, IN-100 and 456 are based on a Ni-18Co-12Cr composition while alloys Rene' 88 DT and SR 3 have lower Al and Co and higher Cr contents. The lambda size distributions were determined from quantitative image analysis of the TEM images. The volume fraction of lambda and carbides and the composition of the phases were determined by a combination of phase extraction and TEM. The results showed many similarities in lambda size distributions, grain boundary serrations, and grain boundary carbide frequencies between alloys KM4, CH98, 456, Rene' 88 DT and SR 3 when heat treated to give an approximate grain size of ASTM 6. The density of grain boundary carbides in KM4 was shown to substantially increase as the grain size increased. IN-100 and 456 subjected to a serration cooling heat treatment had much more complex lambda size distributions with very large intergranular and intragranular secondary lambda as well as finer than average cooling and aging lambda. The grain boundary carbides in IN-100 were similar to the other alloys, but 456 given the serration cooling heat treatment had a more variable density of grain boundary carbides. Examination of the phases extracted from the matrix showed that there were significant differences in the phase chemistries and elemental partitioning ratios between the various alloys.

Phase separation in the six-vertex model with a variety of boundary conditions

NASA Astrophysics Data System (ADS)

Lyberg, I.; Korepin, V.; Ribeiro, G. A. P.; Viti, J.

2018-05-01

We present numerical results for the six-vertex model with a variety of boundary conditions. Adapting an algorithm for domain wall boundary conditions, proposed in the work of Allison and Reshetikhin [Ann. Inst. Fourier 55(6), 1847-1869 (2005)], we examine some modifications of these boundary conditions. To be precise, we discuss partial domain wall boundary conditions, reflecting ends, and half turn boundary conditions (domain wall boundary conditions with half turn symmetry). Dedicated to the memory of Ludwig Faddeev

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

Frolov, T.; Setyawan, W.; Kurtz, R. J.

Evolutionary grand-canonical search predicts novel grain boundary structures and multiple grain boundary phases in elemental body-centered cubic (bcc) metals represented by tungsten, tantalum and molybdenum.

Intra-variant substructure in Ni–Mn–Ga martensite: Conjugation boundaries

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

Muntifering, B.; Pond, R. C.; Kovarik, L.

2014-06-01

The microstructure of a Ni–Mn–Ga alloy in the martensitic phase was investigated using transmission electron microscopy. Inter-variant twin boundaries were observed separating non-modulated tetragonal martensite variants. In addition, intra-variant boundary structures, referred to here as “conjugation boundaries”, were also observed. We propose that conjugation boundaries originate at the transformation interface between austenite and a nascent martensite variant. In the alloy studied, deformation twinning was observed, consistent with being the mode of lattice-invariant deformation, and this can occur on either of two crystallographically equivalent conjugate View the MathML source{101}(101⁻) twinning systems: conjugation boundaries separate regions within a single variant in whichmore » the active modes were distinct. The defect structure of conjugation boundaries and the low-angle of misorientation across them are revealed in detail using high-resolution microscopy. Finally, we anticipate that the mobility of such boundaries is lower than that of inter-variant boundaries, and is therefore likely to significantly affect the kinetics of deformation in the martensitic phase.« less

Controls on the rheological properties of peridotite at a palaeosubduction interface: A transect across the base of the Oman-UAE ophiolite

NASA Astrophysics Data System (ADS)

Ambrose, Tyler K.; Wallis, David; Hansen, Lars N.; Waters, Dave J.; Searle, Michael P.

2018-06-01

Studies of experimentally deformed rocks and small-scale natural shear zones have demonstrated that volumetrically minor phases can control strain localisation by limiting grain growth and promoting grain-size sensitive deformation mechanisms. These small-scale studies are often used to infer a critical role for minor phases in the development of plate boundaries. However, the role of minor phases in strain localisation at an actual plate boundary remains to be tested by direct observation. In order to test the hypothesis that minor phases control strain localisation at plate boundaries, we conducted microstructural analyses of peridotite samples collected along a ∼1 km transect across the base of the Oman-United Arab Emirates (UAE) ophiolite. The base of the ophiolite is marked by the Semail thrust, which represents the now exhumed contact between subducted oceanic crust and the overlying mantle wedge. As such, the base of the ophiolite provides the opportunity to directly examine a former plate boundary. Our results demonstrate that the mean olivine grain size is inversely proportional to the abundance of minor phases (primarily orthopyroxene, as well as clinopyroxene, hornblende, and spinel), consistent with suppression of grain growth by grain-boundary pinning. Our results also reveal that mean olivine grain size is proportional to CPO strength (both of which generally decrease towards the metamorphic sole), suggesting that the fraction of strain produced by different deformation mechanisms varied spatially. Experimentally-derived flow laws indicate that under the inferred deformation conditions, the viscosity of olivine was grain-size sensitive. As such, grain size, and thereby the abundance of minor phases, influenced viscosity during subduction-related deformation along the base of the mantle wedge. We calculate an order of magnitude decrease in the viscosity of olivine towards the base of the ophiolite, which suggests strain was localised near the subduction interface. Our data indicate that this rheological weakening was primarily the result of more abundant minor phases near the base of the ophiolite. Our interpretations are consistent with those of previous studies on experimentally deformed rocks and smaller-scale natural shear zones that indicate minor phases can exert the primary control on strain localisation. However, our study demonstrates for the first time that minor phases can control strain localisation at the scales relevant to a major plate boundary.

The contribution of grain boundary and defects to the resistivity in the ferromagnetic state of polycrystalline manganites

NASA Astrophysics Data System (ADS)

Sagdeo, P. R.; Anwar, Shahid; Lalla, N. P.; Patil, S. I.

2006-11-01

In the present study we report the precise resistivity measurements for the polycrystalline bulk sample as well as highly oriented thin-films of La 0.8Ca 0.2MnO 3. The poly crystalline sample was prepared by standard solid-state reaction route and the oriented thin film was prepared by pulsed laser deposition (PLD). The phase purity of these samples was confirmed by X-ray diffraction and the back-scattered electron imaging using scanning electron microscopy (SEM). The oxygen stoichiometry analysis was done by iodimetry titration. The resistivities of these samples were carried out with four-probe resistivity measurement setup. The observed temperature dependence of resistivity data for both the samples was fitted using the polaron model. We have found that polaronic model fits well with the experimental data of both polycrystalline and single crystal samples. A new phenomenological model is proposed and used to estimate contribution to the resistivity due to grain boundary in the ferromagnetic state of polycrystalline manganites and it has been shown that the scattering of electrons from the grain boundary (grain surface) is a function of temperature and controlled by the effective grain resistance at that temperature.

Unsteady Heat-Flux Measurements of Second-Mode Instability Waves in a Hypersonic Boundary Layer

NASA Technical Reports Server (NTRS)

Kergerise, Michael A.; Rufer, Shann J.

2016-01-01

In this paper we report on the application of the atomic layer thermopile (ALTP) heat- flux sensor to the measurement of laminar-to-turbulent transition in a hypersonic flat plate boundary layer. The centerline of the flat-plate model was instrumented with a streamwise array of ALTP sensors and the flat-plate model was exposed to a Mach 6 freestream over a range of unit Reynolds numbers. Here, we observed an unstable band of frequencies that are associated with second-mode instability waves in the laminar boundary layer that forms on the flat-plate surface. The measured frequencies, group velocities, phase speeds, and wavelengths of these instability waves are in agreement with data previously reported in the literature. Heat flux time series, and the Morlet-wavelet transforms of them, revealed the wave-packet nature of the second-mode instability waves. In addition, a laser-based radiative heating system was developed to measure the frequency response functions (FRF) of the ALTP sensors used in the wind tunnel test. These measurements were used to assess the stability of the sensor FRFs over time and to correct spectral estimates for any attenuation caused by the finite sensor bandwidth.

Unsteady heat-flux measurements of second-mode instability waves in a hypersonic flat-plate boundary layer

NASA Astrophysics Data System (ADS)

Kegerise, Michael A.; Rufer, Shann J.

2016-08-01

In this paper, we report on the application of the atomic layer thermopile (ALTP) heat-flux sensor to the measurement of laminar-to-turbulent transition in a hypersonic flat-plate boundary layer. The centerline of the flat-plate model was instrumented with a streamwise array of ALTP sensors, and the flat-plate model was exposed to a Mach 6 freestream over a range of unit Reynolds numbers. Here, we observed an unstable band of frequencies that are associated with second-mode instability waves in the laminar boundary layer that forms on the flat-plate surface. The measured frequencies, group velocities, phase speeds, and wavelengths of these instability waves are consistent with data previously reported in the literature. Heat flux time series, and the Morlet wavelet transforms of them, revealed the wave-packet nature of the second-mode instability waves. In addition, a laser-based radiative heating system was used to measure the frequency response functions (FRF) of the ALTP sensors used in the wind tunnel test. These measurements were used to assess the stability of the sensor FRFs over time and to correct spectral estimates for any attenuation caused by the finite sensor bandwidth.

Lattice parameters and relative stability of α″ phase in binary titanium alloys from first-principles calculations

NASA Astrophysics Data System (ADS)

Li, Chun-Xia; Luo, Hu-Bin; Hu, Qing-Miao; Yang, Rui; Yin, Fu-Xing; Umezawa, Osamu; Vitos, Levente

2013-04-01

The crystallographic structure and stability of the α″ phase relative to the α and β phases in Ti-x M (M=Ta, Nb, V, Mo) alloys are investigated by using the first-principles exact muffin-tin orbital method in combination with the coherent potential approximation. We show that, with increasing concentration of the alloying elements, the structure of the orthorhombic-α″ phase evolutes from the hcp-α to the bcc-β phase, i.e., the lattice parameters b/a and c/a as well as the basal shuffle y decreases from those corresponding to the α phase to those of the β phase. The compositional α/α″ and α″/β phase boundaries are determined by comparing the total energies of the phases. The predicted α/α″ phase boundaries are about 10.2, 10.5, 11.5, 4.5 at% for Ti-V, Ti-Nb, Ti-Ta, and Ti-Mo, respectively, in reasonable agreement with experiments. The α″/β phase boundaries are higher than the experimental values, possibly due to the absence of temperature effect in the first-principles calculations. Analyzing the electronic density of states, we propose that the stability of the α″ phase is controlled by the compromise between the strength of the covalent and metallic bonds.

Maghemite-to-magnetite reduction across the Fe-redox boundary in a sediment core from the Ontong-Java Plateau: influence on relative palaeointensity estimation and environmental magnetic application

NASA Astrophysics Data System (ADS)

Yamazaki, Toshitsugu; Solheid, Peter

2011-06-01

During reduction diagenesis, production of dissolved Fe2+ by reduction of ferric oxide starts at the Fe-redox boundary. The associated magnetic property changes may influence palaeomagnetic and environmental magnetic records of marine sediments, however, this has not been evaluated thoroughly. In this study, using a gravity core from the Ontong-Java Plateau, we document in detail rock magnetic changes across the Fe-redox boundary, and investigate their influence on relative palaeointensity estimation and on a magnetic proxy for the proportion of terrigenous/biogenic magnetic minerals. The magnetic mineral assemblage above the Fe-redox boundary is characterized by a component with a mean coercivity of ˜100 mT in isothermal remanent magnetization (IRM) component analyses and low S-ratios (S-0.1T). Low-temperature IRM measurements and Mössbauer spectroscopy indicate that the degree of maghemitization is higher above the Fe-redox boundary. From these observations, we conclude that reduction of maghemite to magnetite occurs at the Fe-redox boundary, and we infer that a maghemite skin on magnetic grains is lost across the boundary. Relative palaeointensity variations obtained by normalizing NRM intensity with SIRM agree well with regional and global palaeointensity stacks, which suggests that relative palaeointensity estimation is not significantly affected by the Fe-redox boundary. Temporal variations of the ratio of anhysteretic remanent magnetization susceptibility and saturation IRM (χARM/SIRM) coincide with the regional pattern across the Ontong-Java Plateau. It is also possible to estimate variations in the proportion of terrigenous to biogenic components using the χARM/SIRM ratio across the Fe-redox boundary.

Locating seismicity on the Arctic plate boundary using multiple-event techniques and empirical signal processing

NASA Astrophysics Data System (ADS)

Gibbons, S. J.; Harris, D. B.; Dahl-Jensen, T.; Kværna, T.; Larsen, T. B.; Paulsen, B.; Voss, P. H.

2017-12-01

The oceanic boundary separating the Eurasian and North American plates between 70° and 84° north hosts large earthquakes which are well recorded teleseismically, and many more seismic events at far lower magnitudes that are well recorded only at regional distances. Existing seismic bulletins have considerable spread and bias resulting from limited station coverage and deficiencies in the velocity models applied. This is particularly acute for the lower magnitude events which may only be constrained by a small number of Pn and Sn arrivals. Over the past two decades there has been a significant improvement in the seismic network in the Arctic: a difficult region to instrument due to the harsh climate, a sparsity of accessible sites (particularly at significant distances from the sea), and the expense and difficult logistics of deploying and maintaining stations. New deployments and upgrades to stations on Greenland, Svalbard, Jan Mayen, Hopen, and Bjørnøya have resulted in a sparse but stable regional seismic network which results in events down to magnitudes below 3 generating high-quality Pn and Sn signals on multiple stations. A catalogue of several hundred events in the region since 1998 has been generated using many new phase readings on stations on both sides of the spreading ridge in addition to teleseismic P phases. A Bayesian multiple event relocation has resulted in a significant reduction in the spread of hypocentre estimates for both large and small events. Whereas single event location algorithms minimize vectors of time residuals on an event-by-event basis, the Bayesloc program finds a joint probability distribution of origins, hypocentres, and corrections to traveltime predictions for large numbers of events. The solutions obtained favour those event hypotheses resulting in time residuals which are most consistent over a given source region. The relocations have been performed with different 1-D velocity models applicable to the Arctic region and hypocentres obtained using Bayesloc have been shown to be relatively insensitive to the specified velocity structure in the crust and upper mantle, even for events only constrained by regional phases. The patterns of time residuals resulting from the multiple-event location procedure provide well-constrained time correction surfaces for single-event location estimates and are sufficiently stable to identify a number of picking errors and instrumental timing anomalies. This allows for subsequent quality control of the input data and further improvement in the location estimates. We use the relocated events to form narrowband empirical steering vectors for wave fronts arriving at the SPITS array on Svalbard for azimuth and apparent velocity estimation. We demonstrate that empirical matched field parameter estimation determined by source region is a viable supplement to planewave f-k analysis, mitigating bias and obviating the need for Slowness and Azimuth Station Corrections. A database of reference events and phase arrivals is provided to facilitate further refinement of event locations and the construction of empirical signal detectors.

A generalized expression for lag-time in the gas-phase permeation of hollow tubes

NASA Technical Reports Server (NTRS)

Shah, K. K.; Nelson, H. G.; Johnson, D. L.; Hamaker, F. M.

1975-01-01

A generalized expression for the nonsteady-state parameter, lag-time, has been obtained from Fick's second law for gas-phase transport through hollow, cylindrical membranes. This generalized expression is simplified for three limiting cases of practical interest: (1) diffusion controlled transport, (2) phase boundary reaction control at the inlet surface, and (3) phase boundary reaction control at the outlet surface. In all three cases the lag-time expressions were found to be inversely proportional only to the diffusion coefficient and functionally dependent on the membrane radii. Finally, the lag-time expressions were applied to experimentally obtained lag-time data for alpha-phase titanium and alpha-phase iron.

Evolution of the substructure of a novel 12% Cr steel under creep conditions

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

Yadav, Surya Deo, E-mail: surya.yadav@tugraz.at; Kalácska, Szilvia, E-mail: kalacska@metal.elte.hu; Dománková, Mária, E-mail: maria.domankova@stuba.sk

2016-05-15

In this work we study the microstruture evolution of a newly developed 12% Cr martensitic/ferritic steel in as-received condition and after creep at 650 °C under 130 MPa and 80 MPa. The microstructure is described as consisting of mobile dislocations, dipole dislocations, boundary dislocations, precipitates, lath boundaries, block boundaries, packet boundaries and prior austenitic grain boundaries. The material is characterized employing light optical microscopy (LOM), scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD) and electron backscatter diffraction (EBSD). TEM is used to characterize the dislocations (mobile + dipole) inside the subgrains and XRD measurements are used tomore » the characterize mobile dislocations. Based on the subgrain boundary misorientations obtained from EBSD measurements, the boundary dislocation density is estimated. The total dislocation density is estimated for the as-received and crept conditions adding the mobile, boundary and dipole dislocation densities. Additionally, the subgrain size is estimated from the EBSD measurements. In this publication we propose the use of three characterization techniques TEM, XRD and EBSD as necessary to characterize all type of dislocations and quantify the total dislocation densty in martensitic/ferritic steels. - Highlights: • Creep properties of a novel 12% Cr steel alloyed with Ta • Experimental characterization of different types of dislocations: mobile, dipole and boundary • Characterization and interpretation of the substructure evolution using unique combination of TEM, XRD and EBSD.« less

Stalk Phase Formation: Effects of Dehydration and Saddle Splay Modulus

PubMed Central

Kozlovsky, Yonathan; Efrat, Avishay; Siegel, David A.; Kozlov, Michael M.

2004-01-01

One of the earliest lipid intermediates forming in the course of membrane fusion is the lipid stalk. Although many aspects of the stalk hypothesis were elaborated theoretically and confirmed by experiments it remained unresolved whether stalk formation is always an energy consuming process or if there are conditions where the stalks are energetically favorable and form spontaneously resulting in an equilibrium stalk phase. Motivated by a recent breakthrough experiments we analyze the physical factors determining the spontaneous stalk formation. We show that this process can be driven by interplay between two factors: the elastic energy of lipid monolayers including a contribution of the saddle splay deformation and the energy of hydration repulsion acting between apposing membranes. We analyze the dependence of stalk formation on the saddle splay (Gaussian) modulus of the lipid monolayers and estimate the values of this modulus based on the experimentally established phase boundary between the lamellar and the stalk phases. We suggest that fusion proteins can induce stalk formation just by bringing the membranes into close contact, and accumulating, at least locally, a sufficiently large energy of the hydration repulsion. PMID:15454446

Global distribution of particle phase state in atmospheric secondary organic aerosols

NASA Astrophysics Data System (ADS)

Shiraiwa, Manabu; Li, Ying; Tsimpidi, Alexandra P.; Karydis, Vlassis A.; Berkemeier, Thomas; Pandis, Spyros N.; Lelieveld, Jos; Koop, Thomas; Pöschl, Ulrich

2017-04-01

Secondary organic aerosols (SOA) are a large source of uncertainty in our current understanding of climate change and air pollution. The phase state of SOA is important for quantifying their effects on climate and air quality, but its global distribution is poorly characterized. We developed a method to estimate glass transition temperatures based on the molar mass and molecular O:C ratio of SOA components, and we used the global chemistry climate model EMAC with the organic aerosol module ORACLE to predict the phase state of atmospheric SOA. For the planetary boundary layer, global simulations indicate that SOA are mostly liquid in tropical and polar air with high relative humidity, semi-solid in the mid-latitudes and solid over dry lands. We find that in the middle and upper troposphere SOA should be mostly in a glassy solid phase state. Thus, slow diffusion of water, oxidants and organic molecules could kinetically limit gas-particle interactions of SOA in the free and upper troposphere, promote ice nucleation and facilitate long-range transport of reactive and toxic organic pollutants embedded in SOA.

Global distribution of particle phase state in atmospheric secondary organic aerosols.

PubMed

Shiraiwa, Manabu; Li, Ying; Tsimpidi, Alexandra P; Karydis, Vlassis A; Berkemeier, Thomas; Pandis, Spyros N; Lelieveld, Jos; Koop, Thomas; Pöschl, Ulrich

2017-04-21

Secondary organic aerosols (SOA) are a large source of uncertainty in our current understanding of climate change and air pollution. The phase state of SOA is important for quantifying their effects on climate and air quality, but its global distribution is poorly characterized. We developed a method to estimate glass transition temperatures based on the molar mass and molecular O:C ratio of SOA components, and we used the global chemistry climate model EMAC with the organic aerosol module ORACLE to predict the phase state of atmospheric SOA. For the planetary boundary layer, global simulations indicate that SOA are mostly liquid in tropical and polar air with high relative humidity, semi-solid in the mid-latitudes and solid over dry lands. We find that in the middle and upper troposphere SOA should be mostly in a glassy solid phase state. Thus, slow diffusion of water, oxidants and organic molecules could kinetically limit gas-particle interactions of SOA in the free and upper troposphere, promote ice nucleation and facilitate long-range transport of reactive and toxic organic pollutants embedded in SOA.

Global distribution of particle phase state in atmospheric secondary organic aerosols

PubMed Central

Shiraiwa, Manabu; Li, Ying; Tsimpidi, Alexandra P.; Karydis, Vlassis A.; Berkemeier, Thomas; Pandis, Spyros N.; Lelieveld, Jos; Koop, Thomas; Pöschl, Ulrich

2017-01-01

Secondary organic aerosols (SOA) are a large source of uncertainty in our current understanding of climate change and air pollution. The phase state of SOA is important for quantifying their effects on climate and air quality, but its global distribution is poorly characterized. We developed a method to estimate glass transition temperatures based on the molar mass and molecular O:C ratio of SOA components, and we used the global chemistry climate model EMAC with the organic aerosol module ORACLE to predict the phase state of atmospheric SOA. For the planetary boundary layer, global simulations indicate that SOA are mostly liquid in tropical and polar air with high relative humidity, semi-solid in the mid-latitudes and solid over dry lands. We find that in the middle and upper troposphere SOA should be mostly in a glassy solid phase state. Thus, slow diffusion of water, oxidants and organic molecules could kinetically limit gas–particle interactions of SOA in the free and upper troposphere, promote ice nucleation and facilitate long-range transport of reactive and toxic organic pollutants embedded in SOA. PMID:28429776

Thermal regulation of methane hydrate dissociation: Implications for gas production models

USGS Publications Warehouse

Circone, S.; Kirby, S.H.; Stern, L.A.

2005-01-01

Thermal self-regulation of methane hydrate dissociation at pressure, temperature conditions along phase boundaries, illustrated by experiment in this report, is a significant effect with potential relevance to gas production from gas hydrate. In surroundings maintained at temperatures above the ice melting point, the temperature in the vicinity of dissociating methane hydrate will decrease because heat flow is insufficient to balance the heat absorbed by the endothermic reaction: CH4??nH2O (s) = CH4 (g) + nH2O (l). Temperature decreases until either all of the hydrate dissociates or a phase boundary is reached. At pressures above the quadruple point, the temperature-limiting phase boundary is that of the dissociation reaction itself. At lower pressures, the minimum temperature is limited by the H2O solid/liquid boundary. This change in the temperature-limiting phase boundary constrains the pressure, temperature conditions of the quadruple point for the CH4-H2O system to 2.55 ?? 0.02 MPa and 272.85 ?? 0.03 K. At pressures below the quadruple point, hydrate dissociation proceeds as the liquid H2O produced by dissociation freezes. In the laboratory experiments, dissociation is not impeded by the formation of ice byproduct per se; instead rates are proportional to the heat flow from the surroundings. This is in contrast to the extremely slow dissociation rates observed when surrounding temperatures are below the H2O solid/liquid boundary, where no liquid water is present. This "anomalous" or "self" preservation behavior, most pronounced near 268 K, cannot be accessed when surrounding temperatures are above the H2O solid/liquid boundary. ?? 2005 American Chemical Society.

Topological superconductor to Anderson localization transition in one-dimensional incommensurate lattices.

PubMed

Cai, Xiaoming; Lang, Li-Jun; Chen, Shu; Wang, Yupeng

2013-04-26

We study the competition of disorder and superconductivity for a one-dimensional p-wave superconductor in incommensurate potentials. With the increase in the strength of the incommensurate potential, the system undergoes a transition from a topological superconducting phase to a topologically trivial localized phase. The phase boundary is determined both numerically and analytically from various aspects and the topological superconducting phase is characterized by the presence of Majorana edge fermions in the system with open boundary conditions. We also calculate the topological Z2 invariant of the bulk system and find it can be used to distinguish the different topological phases even for a disordered system.

Vortex Formation and Acceleration of a Fish-Inspired Robot Performing Starts from Rest

NASA Astrophysics Data System (ADS)

Devoria, Adam; Bapst, Jonathan; Ringuette, Matthew

2009-11-01

We investigate the unsteady flow of a fish-inspired robot executing starts from rest, with the objective of understanding the connection among the kinematics, vortex formation, and acceleration performance. Several fish perform ``fast starts,'' where the body bends into a ``C'' or ``S'' shape while turning (phase I), followed by a straightening of the body and caudal fin and a linear acceleration (phase II). The resulting highly 3-D, unsteady vortex formation and its relationship to the acceleration are not well understood. The self-propelled robotic model contains motor-driven joints with programmable motion to emulate phase II of a simplified C-start. The experiments are conducted in a water tank, and the model is constrained to 1 direction along rails. The velocity is measured using digital particle image velocimetry (DPIV) in multiple planes. Vortex boundaries are identified using the finite-time Lyapunov exponent, then the unsteady vortex circulation is computed. The thrust is estimated from the identified vortices, and correlated with the circulation and model acceleration for different kinematics.

Carbon under extreme conditions: phase boundaries and electronic properties from first-principles theory.

PubMed

Correa, Alfredo A; Bonev, Stanimir A; Galli, Giulia

2006-01-31

At high pressure and temperature, the phase diagram of elemental carbon is poorly known. We present predictions of diamond and BC8 melting lines and their phase boundary in the solid phase, as obtained from first-principles calculations. Maxima are found in both melting lines, with a triple point located at approximately 850 GPa and approximately 7,400 K. Our results show that hot, compressed diamond is a semiconductor that undergoes metalization upon melting. In contrast, in the stability range of BC8, an insulator to metal transition is likely to occur in the solid phase. Close to the diamond/liquid and BC8/liquid boundaries, molten carbon is a low-coordinated metal retaining some covalent character in its bonding up to extreme pressures. Our results provide constraints on the carbon equation of state, which is of critical importance for devising models of Neptune, Uranus, and white dwarf stars, as well as of extrasolar carbon-rich planets.

Microstructure control of Al-Cu films for improved electromigration resistance

DOEpatents

Frear, D.R.; Michael, J.R.; Romig, A.D. Jr.

1994-04-05

A process for the forming of Al-Cu conductive thin films with reduced electromigration failures is useful, for example, in the metallization of integrated circuits. An improved formation process includes the heat treatment or annealing of the thin film conductor at a temperature within the range of from 200 C to 300 C for a time period between 10 minutes and 24 hours under a reducing atmosphere such as 15% H[sub 2] in N[sub 2] by volume. Al-Cu thin films annealed in the single phase region of a phase diagram, to temperatures between 200 C and 300 C have [theta]-phase Al[sub 2] Cu precipitates at the grain boundaries continuously become enriched in copper, due, it is theorized, to the formation of a thin coating of [theta]-phase precipitate at the grain boundary. Electromigration behavior of the aluminum is, thus, improved because the [theta]-phase precipitates with copper hinder aluminum diffusion along the grain boundaries. Electromigration, then, occurs mainly within the aluminum grains, a much slower process. 5 figures.

Carbon under extreme conditions: Phase boundaries and electronic properties from first-principles theory

DOE PAGES

Correa, Alfredo A.; Bonev, Stanimir A.; Galli, Giulia

2006-01-23

At high pressure and temperature, the phase diagram of elemental carbon is poorly known. We present predictions of diamond and BC8 melting lines and their phase boundary in the solid phase, as obtained from first-principles calculations. Maxima are found in both melting lines, with a triple point located at ≈ 850 GPa and ≈ 7,400 K. Our results show that hot, compressed diamond is a semiconductor that undergoes metalization upon melting. In contrast, in the stability range of BC8, an insulator to metal transition is likely to occur in the solid phase. Close to the diamond/liquid and BC8/liquid boundaries, moltenmore » carbon is a low-coordinated metal retaining some covalent character in its bonding up to extreme pressures. Lastly, our results provide constraints on the carbon equation of state, which is of critical importance for devising models of Neptune, Uranus, and white dwarf stars, as well as of extrasolar carbon-rich planets.« less

Boundary conditions estimation on a road network using compressed sensing.

DOT National Transportation Integrated Search

2016-02-01

This report presents a new boundary condition estimation framework for transportation networks in which : the state is modeled by a first order scalar conservation law. Using an equivalent formulation based on a : Hamilton-Jacobi equation, we pose th...

The effect of thermal processing on microstructure and mechanical properties in a nickel-iron alloy

NASA Astrophysics Data System (ADS)

Yang, Ling

The correlation between processing conditions, resulted microstructure and mechanical properties is of interest in the field of metallurgy for centuries. In this work, we investigated the effect of thermal processing parameters on microstructure, and key mechanical properties to turbine rotor design: tensile yield strength and crack growth resistance, for a nickel-iron based superalloy Inconel 706. The first step of the designing of experiments is to find parameter ranges for thermal processing. Physical metallurgy on superalloys was combined with finite element analysis to estimate variations in thermal histories for a large Alloy 706 forging, and the results were adopted for designing of experiments. Through the systematic study, correlation was found between the processing parameters and the microstructure. Five different types of grain boundaries were identified by optical metallography, fractography, and transmission electron microscopy, and they were found to be associated with eta precipitation at the grain boundaries. Proportions of types of boundaries, eta size, spacing and angle respect to the grain boundary were found to be dependent on processing parameters. Differences in grain interior precipitates were also identified, and correlated with processing conditions. Further, a strong correlation between microstructure and mechanical properties was identified. The grain boundary precipitates affect the time dependent crack propagation resistance, and different types of boundaries have different levels of resistance. Grain interior precipitates were correlated with tensile yield strength. It was also found that there is a strong environmental effect on time dependent crack propagation resistance, and the sensitivity to environmental damage is microstructure dependent. The microstructure with eta decorated on grain boundaries by controlled processing parameters is more resistant to environmental damage through oxygen embrittlement than material without eta phase on grain boundaries. Effort was made to explore the mechanisms of improving the time dependent crack propagation resistance through thermal processing, several mechanisms were identified in both environment dependent and environment independent category, and they were ranked based on their contributions in affecting crack propagation.

Criteria for guaranteed breakdown in two-phase inhomogeneous bodies

NASA Astrophysics Data System (ADS)

Bardsley, Patrick; Primrose, Michael S.; Zhao, Michael; Boyle, Jonathan; Briggs, Nathan; Koch, Zoe; Milton, Graeme W.

2017-08-01

Lower bounds are obtained on the maximum field strength in one or both phases in a body containing two-phases. These bounds only incorporate boundary data that can be obtained from measurements at the surface of the body, and thus may be useful for determining if breakdown has necessarily occurred in one of the phases, or that some other nonlinearities have occurred. It is assumed the response of the phases is linear up to the point of electric, dielectric, or elastic breakdown, or up to the point of the onset of nonlinearities. These bounds are calculated for conductivity, with one or two sets of boundary conditions, for complex conductivity (as appropriate at fixed frequency when the wavelength is much larger than the body, i.e. for quasistatics), and for two-dimensional elasticity. Sometimes the bounds are optimal when the field is constant in one of the phases, and using the algorithm of Kang, Kim, and Milton (2012) a wide variety of inclusion shapes having this property, for appropriately chosen bodies and appropriate boundary conditions, are numerically constructed. Such inclusions are known as E_Ω -inclusions.

Numerical Solution of Moving Phase Boundary and Diffusion-Induced Stress of Sn Anode in the Lithium-Ion Battery

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

Chen, Chun-Hao; Chason, Eric; Guduru, Pradeep R.

Here, we have previously observed a large transient stress in Sn film anodes at the beginning of the Sn-Li 2Sn 5 phase transformation. To understand this behavior, we use numerical modeling to simulate the kinetics of the 1-D moving boundary and Li diffusion in the Sn anodes. A mixture of diffusion-controlled and interface-controlled kinetics is found. The Li concentration in the Li 2Sn 5 phase remains near a steady-state profile as the phase boundary propagates, whereas the Li diffusion in Sn is more complicated. Li continuously diffuses into the Sn layer and produces a supersaturation; the Li can then diffusemore » toward the Sn/Li 2Sn 5 interface and contribute to further phase transformation. Finally, the evolution of Li concentration in the Sn induces strain which involves rate-dependent plasticity and elastic unloading, resulting in the complex stress evolution that is observed. In the long term, the measured stress is dominated by the stress in the growing Li 2Sn 5 phase.« less

Numerical Solution of Moving Phase Boundary and Diffusion-Induced Stress of Sn Anode in the Lithium-Ion Battery

DOE PAGES

Chen, Chun-Hao; Chason, Eric; Guduru, Pradeep R.

2017-08-02

Here, we have previously observed a large transient stress in Sn film anodes at the beginning of the Sn-Li 2Sn 5 phase transformation. To understand this behavior, we use numerical modeling to simulate the kinetics of the 1-D moving boundary and Li diffusion in the Sn anodes. A mixture of diffusion-controlled and interface-controlled kinetics is found. The Li concentration in the Li 2Sn 5 phase remains near a steady-state profile as the phase boundary propagates, whereas the Li diffusion in Sn is more complicated. Li continuously diffuses into the Sn layer and produces a supersaturation; the Li can then diffusemore » toward the Sn/Li 2Sn 5 interface and contribute to further phase transformation. Finally, the evolution of Li concentration in the Sn induces strain which involves rate-dependent plasticity and elastic unloading, resulting in the complex stress evolution that is observed. In the long term, the measured stress is dominated by the stress in the growing Li 2Sn 5 phase.« less

A novel perovskite oxide chemically designed to show multiferroic phase boundary with room-temperature magnetoelectricity

NASA Astrophysics Data System (ADS)

Fernández-Posada, Carmen M.; Castro, Alicia; Kiat, Jean-Michel; Porcher, Florence; Peña, Octavio; Algueró, Miguel; Amorín, Harvey

2016-09-01

There is a growing activity in the search of novel single-phase multiferroics that could finally provide distinctive magnetoelectric responses at room temperature, for they would enable a range of potentially disruptive technologies, making use of the ability of controlling polarization with a magnetic field or magnetism with an electric one (for example, voltage-tunable spintronic devices, uncooled magnetic sensors and the long-searched magnetoelectric memory). A very promising novel material concept could be to make use of phase-change phenomena at structural instabilities of a multiferroic state. Indeed, large phase-change magnetoelectric response has been anticipated by a first-principles investigation of the perovskite BiFeO3-BiCoO3 solid solution, specifically at its morphotropic phase boundary between multiferroic polymorphs of rhombohedral and tetragonal symmetries. Here, we report a novel perovskite oxide that belongs to the BiFeO3-BiMnO3-PbTiO3 ternary system, chemically designed to present such multiferroic phase boundary with enhanced ferroelectricity and canted ferromagnetism, which shows distinctive room-temperature magnetoelectric responses.

A novel perovskite oxide chemically designed to show multiferroic phase boundary with room-temperature magnetoelectricity.

PubMed

Fernández-Posada, Carmen M; Castro, Alicia; Kiat, Jean-Michel; Porcher, Florence; Peña, Octavio; Algueró, Miguel; Amorín, Harvey

2016-09-28

There is a growing activity in the search of novel single-phase multiferroics that could finally provide distinctive magnetoelectric responses at room temperature, for they would enable a range of potentially disruptive technologies, making use of the ability of controlling polarization with a magnetic field or magnetism with an electric one (for example, voltage-tunable spintronic devices, uncooled magnetic sensors and the long-searched magnetoelectric memory). A very promising novel material concept could be to make use of phase-change phenomena at structural instabilities of a multiferroic state. Indeed, large phase-change magnetoelectric response has been anticipated by a first-principles investigation of the perovskite BiFeO 3 -BiCoO 3 solid solution, specifically at its morphotropic phase boundary between multiferroic polymorphs of rhombohedral and tetragonal symmetries. Here, we report a novel perovskite oxide that belongs to the BiFeO 3 -BiMnO 3 -PbTiO 3 ternary system, chemically designed to present such multiferroic phase boundary with enhanced ferroelectricity and canted ferromagnetism, which shows distinctive room-temperature magnetoelectric responses.

Experimental Investigation and Analytical Prediction of σ-Phase Precipitation in AISI 316L Austenitic Stainless Steel

NASA Astrophysics Data System (ADS)

Sahlaoui, Habib; Sidhom, Habib

2013-07-01

The phase precipitation in industrial AISI 316L stainless steel during aging for up to 80,000 hours between 823 K and 1073 K (550 °C and 800 °C) has been studied using transmission electron microscopy, scanning transmission electron microscopy, and carbon replica energy-dispersive X-ray microanalysis. Three phases were identified: Chromium carbides (M23C6), Laves phase ( η), and σ-phase (Fe-Cr). M23C6 carbide precipitation occurred firstly and was followed by the η and σ-phases at grain boundaries when the aging temperature is higher than 873 K (600 °C). Precipitation and growth of M23C6 create chromium depletion zones at the grain boundaries and also retard the σ-phase formation. Thus, the σ-phase is controlled by the kinetic of chromium bulk diffusion and can appear only when the chromium reaches, at grain boundaries and at the M23C6/ γ and M23C6/ η/ γ interfaces, content higher than a critical value obtained by self-healing. An analytical model, based on equivalent chromium content, has been established in this study and successfully validated to predict the time-temperature-precipitation diagram of the σ-phase. The obtained diagram is in good agreement with the experimental results.

The Pliocene Model Intercomparison Project - Phase 2

NASA Astrophysics Data System (ADS)

Haywood, Alan; Dowsett, Harry; Dolan, Aisling; Rowley, David; Abe-Ouchi, Ayako; Otto-Bliesner, Bette; Chandler, Mark; Hunter, Stephen; Lunt, Daniel; Pound, Matthew; Salzmann, Ulrich

2016-04-01

The Pliocene Model Intercomparison Project (PlioMIP) is a co-ordinated international climate modelling initiative to study and understand climate and environments of the Late Pliocene, and their potential relevance in the context of future climate change. PlioMIP examines the consistency of model predictions in simulating Pliocene climate, and their ability to reproduce climate signals preserved by geological climate archives. Here we provide a description of the aim and objectives of the next phase of the model intercomparison project (PlioMIP Phase 2), and we present the experimental design and boundary conditions that will be utilised for climate model experiments in Phase 2. Following on from PlioMIP Phase 1, Phase 2 will continue to be a mechanism for sampling structural uncertainty within climate models. However, Phase 1 demonstrated the requirement to better understand boundary condition uncertainties as well as uncertainty in the methodologies used for data-model comparison. Therefore, our strategy for Phase 2 is to utilise state-of-the-art boundary conditions that have emerged over the last 5 years. These include a new palaeogeographic reconstruction, detailing ocean bathymetry and land/ice surface topography. The ice surface topography is built upon the lessons learned from offline ice sheet modelling studies. Land surface cover has been enhanced by recent additions of Pliocene soils and lakes. Atmospheric reconstructions of palaeo-CO2 are emerging on orbital timescales and these are also incorporated into PlioMIP Phase 2. New records of surface and sea surface temperature change are being produced that will be more temporally consistent with the boundary conditions and forcings used within models. Finally we have designed a suite of prioritized experiments that tackle issues surrounding the basic understanding of the Pliocene and its relevance in the context of future climate change in a discrete way.

Lattice Boltzmann simulations of multiple-droplet interaction dynamics.

PubMed

Zhou, Wenchao; Loney, Drew; Fedorov, Andrei G; Degertekin, F Levent; Rosen, David W

2014-03-01

A lattice Boltzmann (LB) formulation, which is consistent with the phase-field model for two-phase incompressible fluid, is proposed to model the interface dynamics of droplet impingement. The interparticle force is derived by comparing the macroscopic transport equations recovered from LB equations with the governing equations of the continuous phase-field model. The inconsistency between the existing LB implementations and the phase-field model in calculating the relaxation time at the phase interface is identified and an approximation is proposed to ensure the consistency with the phase-field model. It is also shown that the commonly used equilibrium velocity boundary for the binary fluid LB scheme does not conserve momentum at the wall boundary and a modified scheme is developed to ensure the momentum conservation at the boundary. In addition, a geometric formulation of the wetting boundary condition is proposed to replace the popular surface energy formulation and results show that the geometric approach enforces the prescribed contact angle better than the surface energy formulation in both static and dynamic wetting. The proposed LB formulation is applied to simulating droplet impingement dynamics in three dimensions and results are compared to those obtained with the continuous phase-field model, the LB simulations reported in the literature, and experimental data from the literature. The results show that the proposed LB simulation approach yields not only a significant speed improvement over the phase-field model in simulating droplet impingement dynamics on a submillimeter length scale, but also better accuracy than both the phase-field model and the previously reported LB techniques when compared to experimental data. Upon validation, the proposed LB modeling methodology is applied to the study of multiple-droplet impingement and interactions in three dimensions, which demonstrates its powerful capability of simulating extremely complex interface phenomena.

Microstructural Damage During High-Strain Torsion Experiments on Calcite-Anhydrite Aggregates

NASA Astrophysics Data System (ADS)

Cross, A. J.; Skemer, P. A.

2016-12-01

Ductile shear zones play a critical role in localising deformation in the Earth's crust and mantle. Severe grain size reduction - a ubiquitous feature of natural mylonites - is commonly thought to cause strain weakening via a transition to grain size sensitive deformation mechanisms. Although grain size reduction is modulated by grain growth in single-phase aggregates, grain boundary pinning in well-mixed poly-phase composites can inhibit grain growth, leading to microstructural `damage' which is likely a critical element of strain localization in the lithosphere. While dynamic recrystallization has been widely explored in rock mechanics and materials science, the mechanisms behind phase-mixing remain poorly understood. In this contribution we present results from high-strain, deformation experiments on calcite-anhydrite composites. Experiments were conducted in torsion at T = 500-700°C and P 1.5 GPa, using the new Large Volume Torsion (LVT) solid-medium apparatus, to shear strains of 0.5-30. As shear strain increases, progressive thinning and necking of initially large (≤ 1 mm) calcite domains is observed, resulting in an increase in the proportion of interphase boundaries. Grain-size is negatively correlated with the fraction of interphase boundaries, such that calcite grains in well-mixed regions are significantly smaller than those in single-phase domains. Crucially, progressive deformation leads to a reduction in grain-size beyond the lower limit established by the grain size piezometer for mono-phase calcite, implying microstructural damage. These data therefore demonstrate continued microstructural evolution in two-phase composites that is not possible in single-phase aggregates. These observations mark a new `geometric' mechanism for phase mixing, complementing previous models for phase mixing involving chemical reactions, material diffusion, and/or grain boundary sliding.

The Stefan problem of solidification of ternary systems in the presence of moving phase transition regions

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

Alexandrov, D. V., E-mail: Dmitri.Alexandrov@usu.ru; Ivanov, A. A.

2009-05-15

The process of solidification of ternary systems in the presence of moving phase transition regions has been investigated theoretically in terms of the nonlinear equation of the liquidus surface. A mathematical model is developed and an approximate analytical solution to the Stefan problem is constructed for a linear temperature profile in two-phase zones. The temperature and impurity concentration distributions are determined, the solid-phase fractions in the phase transition regions are obtained, and the laws of motion of their boundaries are established. It is demonstrated that all boundaries move in accordance with the laws of direct proportionality to the square rootmore » of time, which is a general property of self-similar processes. It is substantiated that the concentration of an impurity of the substance undergoing a phase transition only in the cotectic zone increases in this zone and decreases in the main two-phase zone in which the other component of the substance undergoes a phase transition. In the process, the concentration reaches a maximum at the interface between the main two-phase zone and the cotectic two-phase zone. The revealed laws of motion of the outer boundaries of the entire phase transition region do not depend on the amount of the components under consideration and hold true for crystallization of a multicomponent system.« less

The quantum-field renormalization group in the problem of a growing phase boundary

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

Antonov, N.V.; Vasil`ev, A.N.

1995-09-01

Within the quantum-field renormalization-group approach we examine the stochastic equation discussed by S.I. Pavlik in describing a randomly growing phase boundary. We show that, in contrast to Pavlik`s assertion, the model is not multiplicatively renormalizable and that its consistent renormalization-group analysis requires introducing an infinite number of counterterms and the respective coupling constants ({open_quotes}charge{close_quotes}). An explicit calculation in the one-loop approximation shows that a two-dimensional surface of renormalization-group points exits in the infinite-dimensional charge space. If the surface contains an infrared stability region, the problem allows for scaling with the nonuniversal critical dimensionalities of the height of the phase boundarymore » and time, {delta}{sub h} and {delta}{sub t}, which satisfy the exact relationship 2 {delta}{sub h}= {delta}{sub t} + d, where d is the dimensionality of the phase boundary. 23 refs., 1 tab.« less

Collective Traffic-like Movement of Ants on a Trail: Dynamical Phases and Phase Transitions

NASA Astrophysics Data System (ADS)

Kunwar, Ambarish; John, Alexander; Nishinari, Katsuhiro; Schadschneider, Andreas; Chowdhury, Debashish

2004-11-01

The traffic-like collective movement of ants on a trail can be described by a stochastic cellular automaton model. We have earlier investigated its unusual flow-density relation by using various mean field approximations and computer simulations. In this paper, we study the model following an alternative approach based on the analogy with the zero range process, which is one of the few known exactly solvable stochastic dynamical models. We show that our theory can quantitatively account for the unusual non-monotonic dependence of the average speed of the ants on their density for finite lattices with periodic boundary conditions. Moreover, we argue that the model exhibits a continuous phase transition at the critial density only in a limiting case. Furthermore, we investigate the phase diagram of the model by replacing the periodic boundary conditions by open boundary conditions.

Boundary perturbations coupled to core 3/2 tearing modes on the DIII-D tokamak

NASA Astrophysics Data System (ADS)

Tobias, B.; Yu, L.; Domier, C. W.; Luhmann, N. C., Jr.; Austin, M. E.; Paz-Soldan, C.; Turnbull, A. D.; Classen, I. G. J.; the DIII-D Team

2013-09-01

High confinement (H-mode) discharges on the DIII-D tokamak are routinely subject to the formation of long-lived, non-disruptive magnetic islands that degrade confinement and limit fusion performance. Simultaneous, 2D measurement of electron temperature fluctuations in the core and edge regions allows for reconstruction of the radially resolved poloidal mode number spectrum and phase of the global plasma response associated with these modes. Coherent, n = 2 excursions of the plasma boundary are found to be the result of coupling to an n = 2, kink-like mode which arises locked in phase to the 3/2 island chain. This coupling dictates the relative phase of the displacement at the boundary with respect to the tearing mode. This unambiguous phase relationship, for which no counter-examples are observed, is presented as a test for modeling of the perturbed fields to be expected outside the confined plasma.

Nanoscale phase transition behavior of shape memory alloys — closed form solution of 1D effective modelling

NASA Astrophysics Data System (ADS)

Li, M. P.; Sun, Q. P.

2018-01-01

We investigate the roles of grain size (lg) and grain boundary thickness (lb) on the stress-induced phase transition (PT) behaviors of nanocrystalline shape memory alloys (SMAs) by using a Core-shell type "crystallite-amorphous composite" model. A non-dimensionalized length scale lbarg(=lg /lb) is identified as the governing parameter which is indicative of the energy competition between the crystallite and the grain boundary. Closed form analytical solutions of a reduced effective 1D model with embedded microstructure length scales of lg and lb are presented in this paper. It is shown that, with lbarg reduction, the energy of the elastic non-transformable grain boundary will gradually become dominant in the phase transition process, and eventually bring fundamental changes of the deformation behaviors: breakdown of two-phase coexistence and vanishing of superelastic hysteresis. The predictions are supported by experimental data of nanocrystalline NiTi SMAs.

Friction and Wear Management Using Solvent Partitioning of Hydrophilic-Surface-Interactive Chemicals Contained in Boundary Layer-Targeted Emulsions

NASA Technical Reports Server (NTRS)

Richmond, Robert Chaffee (Inventor); Schramm, Jr., Harry F. (Inventor); Defalco, Francis G. (Inventor)

2015-01-01

Lubrication additives of the current invention require formation of emulsions in base lubricants, created with an aqueous salt solution plus a single-phase compound such that partitioning within the resulting emulsion provides thermodynamically targeted compounds for boundary layer organization thus establishing anti-friction and/or anti-wear. The single-phase compound is termed "boundary layer organizer", abbreviated BLO. These emulsion-contained compounds energetically favor association with tribologic surfaces in accord with the Second Law of Thermodynamics, and will organize boundary layers on those surfaces in ways specific to the chemistry of the salt and BLO additives. In this way friction modifications may be provided by BLOs targeted to boundary layers via emulsions within lubricating fluids, wherein those lubricating fluids may be water-based or oil-based.

Geodetic estimates of fault slip rates in the San Francisco Bay area

USGS Publications Warehouse

Savage, J.C.; Svarc, J.L.; Prescott, W.H.

1999-01-01

Bourne et al. [1998] have suggested that the interseismic velocity profile at the surface across a transform plate boundary is a replica of the secular velocity profile at depth in the plastosphere. On the other hand, in the viscoelastic coupling model the shape of the interseismic surface velocity profile is a consequence of plastosphere relaxation following the previous rupture of the faults that make up the plate boundary and is not directly related to the secular flow in the plastosphere. The two models appear to be incompatible. If the plate boundary is composed of several subparallel faults and the interseismic surface velocity profile across the boundary known, each model predicts the secular slip rates on the faults which make up the boundary. As suggested by Bourne et al., the models can then be tested by comparing the predicted secular slip rates to those estimated from long-term offsets inferred from geology. Here we apply that test to the secular slip rates predicted for the principal faults (San Andreas, San Gregorio, Hayward, Calaveras, Rodgers Creek, Green Valley and Greenville faults) in the San Andreas fault system in the San Francisco Bay area. The estimates from the two models generally agree with one another and to a lesser extent with the geologic estimate. Because the viscoelastic coupling model has been equally successful in estimating secular slip rates on the various fault strands at a diffuse plate boundary, the success of the model of Bourne et al. [1998] in doing the same thing should not be taken as proof that the interseismic velocity profile across the plate boundary at the surface is a replica of the velocity profile at depth in the plastosphere.

Exact phase boundaries and topological phase transitions of the X Y Z spin chain

NASA Astrophysics Data System (ADS)

Jafari, S. A.

2017-07-01

Within the block spin renormalization group, we give a very simple derivation of the exact phase boundaries of the X Y Z spin chain. First, we identify the Ising order along x ̂ or y ̂ as attractive renormalization group fixed points of the Kitaev chain. Then, in a global phase space composed of the anisotropy λ of the X Y interaction and the coupling Δ of the Δ σzσz interaction, we find that the above fixed points remain attractive in the two-dimesional parameter space. We therefore classify the gapped phases of the X Y Z spin chain as: (1) either attracted to the Ising limit of the Kitaev-chain, which in turn is characterized by winding number ±1 , depending on whether the Ising order parameter is along x ̂ or y ̂ directions; or (2) attracted to the charge density wave (CDW) phases of the underlying Jordan-Wigner fermions, which is characterized by zero winding number. We therefore establish that the exact phase boundaries of the X Y Z model in Baxter's solution indeed correspond to topological phase transitions. The topological nature of the phase transitions of the X Y Z model justifies why our analytical solution of the three-site problem that is at the core of the present renormalization group treatment is able to produce the exact phase boundaries of Baxter's solution. We argue that the distribution of the winding numbers between the three Ising phases is a matter of choice of the coordinate system, and therefore the CDW-Ising phase is entitled to host appropriate form of zero modes. We further observe that in the Kitaev-chain the renormalization group flow can be cast into a geometric progression of a properly identified parameter. We show that this new parameter is actually the size of the (Majorana) zero modes.

Temporal and Latitudinal Variations of the Length-Scales and Relative Intensities of the Chromospheric Network

NASA Astrophysics Data System (ADS)

Raju, K. P.

2018-05-01

The Calcium K spectroheliograms of the Sun from Kodaikanal have a data span of about 100 years and covers over 9 solar cycles. The Ca line is a strong chromospheric line dominated by chromospheric network and plages which are good indicators of solar activity. Length-scales and relative intensities of the chromospheric network have been obtained in the solar latitudes from 50 degree N to 50 degree S from the spectroheliograms. The length-scale was obtained from the half-width of the two-dimensional autocorrelation of the latitude strip which gives a measure of the width of the network boundary. As reported earlier for the transition region extreme ultraviolet (EUV) network, relative intensity and width of the chromospheric network boundary are found to be dependent on the solar cycle. A varying phase difference has been noticed in the quantities in different solar latitudes. A cross-correlation analysis of the quantities from other latitudes with ±30 degree latitude revealed an interesting phase difference pattern indicating flux transfer. Evidence of equatorward flux transfer has been observed. The average equatorward flux transfer was estimated to be 5.8 ms-1. The possible reasons of the drift could be meridional circulation, torsional oscillations, or the bright point migration. Cross-correlation of intensity and length-scale from the same latitude showed increasing phase difference with increasing latitude. We have also obtained the cross correlation of the quantities across the equator to see the possible phase lags in the two hemispheres. Signatures of lags are seen in the length scales of southern hemisphere near the equatorial latitudes, but no such lags in the intensity are observed. The results have important implications on the flux transfer over the solar surface and hence on the solar activity and dynamo.

Effect of polyethylene glycol on the liquid–liquid phase transition in aqueous protein solutions

PubMed Central

Annunziata, Onofrio; Asherie, Neer; Lomakin, Aleksey; Pande, Jayanti; Ogun, Olutayo; Benedek, George B.

2002-01-01

We have studied the effect of polyethylene glycol (PEG) on the liquid–liquid phase separation (LLPS) of aqueous solutions of bovine γD-crystallin (γD), a protein in the eye lens. We observe that the phase separation temperature increases with both PEG concentration and PEG molecular weight. PEG partitioning, which is the difference between the PEG concentration in the two coexisting phases, has been measured experimentally and observed to increase with PEG molecular weight. The measurements of both LLPS temperature and PEG partitioning in the ternary γD-PEG-water systems are used to successfully predict the location of the liquid–liquid phase boundary of the binary γD-water system. We show that our LLPS measurements can be also used to estimate the protein solubility as a function of the concentration of crystallizing agents. Moreover, the slope of the tie-lines and the dependence of LLPS temperature on polymer concentration provide a powerful and sensitive check of the validity of excluded volume models. Finally, we show that the increase of the LLPS temperature with PEG concentration is due to attractive protein–protein interactions. PMID:12391331

Quantum phase transitions between a class of symmetry protected topological states

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

Tsui, Lokman; Jiang, Hong-Chen; Lu, Yuan-Ming

2015-07-01

The subject of this paper is the phase transition between symmetry protected topological states (SPTs). We consider spatial dimension d and symmetry group G so that the cohomology group, Hd+1(G,U(1)), contains at least one Z2n or Z factor. We show that the phase transition between the trivial SPT and the root states that generate the Z2n or Z groups can be induced on the boundary of a (d+1)-dimensional View the MathML source-symmetric SPT by a View the MathML source symmetry breaking field. Moreover we show these boundary phase transitions can be “transplanted” to d dimensions and realized in lattice modelsmore » as a function of a tuning parameter. The price one pays is for the critical value of the tuning parameter there is an extra non-local (duality-like) symmetry. In the case where the phase transition is continuous, our theory predicts the presence of unusual (sometimes fractionalized) excitations corresponding to delocalized boundary excitations of the non-trivial SPT on one side of the transition. This theory also predicts other phase transition scenarios including first order transition and transition via an intermediate symmetry breaking phase.« less

Quantum phase transitions between a class of symmetry protected topological states

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

Tsui, Lokman; Jiang, Hong -Chen; Lu, Yuan -Ming

2015-04-30

The subject of this paper is the phase transition between symmetry protected topological states (SPTs). We consider spatial dimension d and symmetry group G so that the cohomology group, H d+1(G,U(1)), contains at least one Z 2n or Z factor. We show that the phase transition between the trivial SPT and the root states that generate the Z 2n or Z groups can be induced on the boundary of a (d+1)-dimensional G x Z T 2-symmetric SPT by a Z T 2 symmetry breaking field. Moreover we show these boundary phase transitions can be “transplanted” to d dimensions and realizedmore » in lattice models as a function of a tuning parameter. The price one pays is for the critical value of the tuning parameter there is an extra non-local (duality-like) symmetry. In the case where the phase transition is continuous, our theory predicts the presence of unusual (sometimes fractionalized) excitations corresponding to delocalized boundary excitations of the non-trivial SPT on one side of the transition. This theory also predicts other phase transition scenarios including first order transition and transition via an intermediate symmetry breaking phase.« less

PHASEGO: A toolkit for automatic calculation and plot of phase diagram

NASA Astrophysics Data System (ADS)

Liu, Zhong-Li

2015-06-01

The PHASEGO package extracts the Helmholtz free energy from the phonon density of states obtained by the first-principles calculations. With the help of equation of states fitting, it reduces the Gibbs free energy as a function of pressure/temperature at fixed temperature/pressure. Based on the quasi-harmonic approximation (QHA), it calculates the possible phase boundaries among all the structures of interest and finally plots the phase diagram automatically. For the single phase analysis, PHASEGO can numerically derive many properties, such as the thermal expansion coefficients, the bulk moduli, the heat capacities, the thermal pressures, the Hugoniot pressure-volume-temperature relations, the Grüneisen parameters, and the Debye temperatures. In order to check its ability of phase transition analysis, I present here two examples: semiconductor GaN and metallic Fe. In the case of GaN, PHASEGO automatically determined and plotted the phase boundaries among the provided zinc blende (ZB), wurtzite (WZ) and rocksalt (RS) structures. In the case of Fe, the results indicate that at high temperature the electronic thermal excitation free energy corrections considerably alter the phase boundaries among the body-centered cubic (bcc), face-centered cubic (fcc) and hexagonal close-packed (hcp) structures.

Microstructural study of the polymorphic transformation in pentacene thin films.

PubMed

Murakami, Yosuke; Tomiya, Shigetaka; Koshitani, Naoki; Kudo, Yoshihiro; Satori, Kotaro; Itabashi, Masao; Kobayashi, Norihito; Nomoto, Kazumasa

2009-10-02

We have observed, by high-resolution cross-sectional transmission electron microscopy, the first direct evidence of polymorphic transformation in pentacene thin films deposited on silicon oxide substrates. Polymorphic transformation from the thin-film phase to the bulk phase occurred preferentially near polycrystalline grain boundaries, which exhibit concave surfaces. This process is thought to be driven by compressive stress caused by the grain boundaries. In addition to this stress, lattice mismatch between the two phases also results in structural defect formation.

Asymmetric fluid criticality. II. Finite-size scaling for simulations.

PubMed

Kim, Young C; Fisher, Michael E

2003-10-01

The vapor-liquid critical behavior of intrinsically asymmetric fluids is studied in finite systems of linear dimensions L focusing on periodic boundary conditions, as appropriate for simulations. The recently propounded "complete" thermodynamic (L--> infinity) scaling theory incorporating pressure mixing in the scaling fields as well as corrections to scaling [Phys. Rev. E 67, 061506 (2003)] is extended to finite L, initially in a grand canonical representation. The theory allows for a Yang-Yang anomaly in which, when L--> infinity, the second temperature derivative (d2musigma/dT2) of the chemical potential along the phase boundary musigmaT diverges when T-->Tc-. The finite-size behavior of various special critical loci in the temperature-density or (T,rho) plane, in particular, the k-inflection susceptibility loci and the Q-maximal loci--derived from QL(T,L) is identical with 2L/L where m is identical with rho-L--is carefully elucidated and shown to be of value in estimating Tc and rhoc. Concrete illustrations are presented for the hard-core square-well fluid and for the restricted primitive model electrolyte including an estimate of the correlation exponent nu that confirms Ising-type character. The treatment is extended to the canonical representation where further complications appear.

Heterogeneous Creep Deformations and Correlation to Microstructures in Fe-30Cr-3Al Alloys Strengthened by an Fe 2Nb Laves Phase

DOE PAGES

Shassere, Benjamin; Yamamoto, Yukinori; Poplawsky, Jonathan; ...

2017-08-07

We have develooped a new Fe-Cr-Al (FCA) alloy system with good oxidation resistance and creep strength at high temperature. The alloy system is a candidate for use in future fossil-fueled power plants. The creep strength of these alloys at 973 K (700 °C) was found to be comparable with traditional 9 pct Cr ferritic–martensitic steels. A few FCA alloys with general composition of Fe-30Cr-3Al-.2Si-xNb (x = 0, 1, or 2) with a ferrite matrix and Fe 2Nb-type Laves precipitates were prepared. The detailed microstructural characterization of samples, before and after creep rupture testing, indicated precipitation of the Laves phase withinmore » the matrix, Laves phase at the grain boundaries, and a 0.5 to 1.5 μm wide precipitate-free zone (PFZ) parallel to all the grain boundaries. In these alloys, the areal fraction of grain boundary Laves phase and the width of the PFZ controlled the cavitation nucleation and eventual grain boundary ductile failure. Finally, we used a phenomenological model to compare the creep strain rates controlled by the effects of the particles on the dislocations within the grain and at grain boundaries. (The research sponsored by US-DOE, Office of Fossil Energy, the Crosscutting Research Program).« less

Quasicontinuum analysis of dislocation-coherent twin boundary interaction to provide local rules to discrete dislocation dynamics

NASA Astrophysics Data System (ADS)

Tran, H.-S.; Tummala, H.; Duchene, L.; Pardoen, T.; Fivel, M.; Habraken, A. M.

2017-10-01

The interaction of a pure screw dislocation with a Coherent Twin Boundary Σ3 in copper was studied using the Quasicontinuum method. Coherent Twin Boundary behaves as a strong barrier to dislocation glide and prohibits slip transmission across the boundary. Dislocation pileup modifies the stress field at its intersection with the Grain Boundary (GB). A methodology to estimate the strength of the barrier for a dislocation to slip across CTB is proposed. A screw dislocation approaching the boundary from one side either propagates into the adjacent twin grain by cutting through the twin boundary or is stopped and increases the dislocation pileup amplitude at the GB. Quantitative estimation of the critical stress for transmission was performed using the virial stress computed by Quasicontinuum method. The transmission mechanism and critical stress are in line with the literature. Such information can be used as input for dislocation dynamic simulations for a better modeling of grain boundaries.

An iterative kernel based method for fourth order nonlinear equation with nonlinear boundary condition

NASA Astrophysics Data System (ADS)

Azarnavid, Babak; Parand, Kourosh; Abbasbandy, Saeid

2018-06-01

This article discusses an iterative reproducing kernel method with respect to its effectiveness and capability of solving a fourth-order boundary value problem with nonlinear boundary conditions modeling beams on elastic foundations. Since there is no method of obtaining reproducing kernel which satisfies nonlinear boundary conditions, the standard reproducing kernel methods cannot be used directly to solve boundary value problems with nonlinear boundary conditions as there is no knowledge about the existence and uniqueness of the solution. The aim of this paper is, therefore, to construct an iterative method by the use of a combination of reproducing kernel Hilbert space method and a shooting-like technique to solve the mentioned problems. Error estimation for reproducing kernel Hilbert space methods for nonlinear boundary value problems have yet to be discussed in the literature. In this paper, we present error estimation for the reproducing kernel method to solve nonlinear boundary value problems probably for the first time. Some numerical results are given out to demonstrate the applicability of the method.

Sensitivity of tumor motion simulation accuracy to lung biomechanical modeling approaches and parameters.

PubMed

Tehrani, Joubin Nasehi; Yang, Yin; Werner, Rene; Lu, Wei; Low, Daniel; Guo, Xiaohu; Wang, Jing

2015-11-21

Finite element analysis (FEA)-based biomechanical modeling can be used to predict lung respiratory motion. In this technique, elastic models and biomechanical parameters are two important factors that determine modeling accuracy. We systematically evaluated the effects of lung and lung tumor biomechanical modeling approaches and related parameters to improve the accuracy of motion simulation of lung tumor center of mass (TCM) displacements. Experiments were conducted with four-dimensional computed tomography (4D-CT). A Quasi-Newton FEA was performed to simulate lung and related tumor displacements between end-expiration (phase 50%) and other respiration phases (0%, 10%, 20%, 30%, and 40%). Both linear isotropic and non-linear hyperelastic materials, including the neo-Hookean compressible and uncoupled Mooney-Rivlin models, were used to create a finite element model (FEM) of lung and tumors. Lung surface displacement vector fields (SDVFs) were obtained by registering the 50% phase CT to other respiration phases, using the non-rigid demons registration algorithm. The obtained SDVFs were used as lung surface displacement boundary conditions in FEM. The sensitivity of TCM displacement to lung and tumor biomechanical parameters was assessed in eight patients for all three models. Patient-specific optimal parameters were estimated by minimizing the TCM motion simulation errors between phase 50% and phase 0%. The uncoupled Mooney-Rivlin material model showed the highest TCM motion simulation accuracy. The average TCM motion simulation absolute errors for the Mooney-Rivlin material model along left-right, anterior-posterior, and superior-inferior directions were 0.80 mm, 0.86 mm, and 1.51 mm, respectively. The proposed strategy provides a reliable method to estimate patient-specific biomechanical parameters in FEM for lung tumor motion simulation.

Sensitivity of Tumor Motion Simulation Accuracy to Lung Biomechanical Modeling Approaches and Parameters

PubMed Central

Tehrani, Joubin Nasehi; Yang, Yin; Werner, Rene; Lu, Wei; Low, Daniel; Guo, Xiaohu

2015-01-01

Finite element analysis (FEA)-based biomechanical modeling can be used to predict lung respiratory motion. In this technique, elastic models and biomechanical parameters are two important factors that determine modeling accuracy. We systematically evaluated the effects of lung and lung tumor biomechanical modeling approaches and related parameters to improve the accuracy of motion simulation of lung tumor center of mass (TCM) displacements. Experiments were conducted with four-dimensional computed tomography (4D-CT). A Quasi-Newton FEA was performed to simulate lung and related tumor displacements between end-expiration (phase 50%) and other respiration phases (0%, 10%, 20%, 30%, and 40%). Both linear isotropic and non-linear hyperelastic materials, including the Neo-Hookean compressible and uncoupled Mooney-Rivlin models, were used to create a finite element model (FEM) of lung and tumors. Lung surface displacement vector fields (SDVFs) were obtained by registering the 50% phase CT to other respiration phases, using the non-rigid demons registration algorithm. The obtained SDVFs were used as lung surface displacement boundary conditions in FEM. The sensitivity of TCM displacement to lung and tumor biomechanical parameters was assessed in eight patients for all three models. Patient-specific optimal parameters were estimated by minimizing the TCM motion simulation errors between phase 50% and phase 0%. The uncoupled Mooney-Rivlin material model showed the highest TCM motion simulation accuracy. The average TCM motion simulation absolute errors for the Mooney-Rivlin material model along left-right (LR), anterior-posterior (AP), and superior-inferior (SI) directions were 0.80 mm, 0.86 mm, and 1.51 mm, respectively. The proposed strategy provides a reliable method to estimate patient-specific biomechanical parameters in FEM for lung tumor motion simulation. PMID:26531324

Flux estimation of the FIFE planetary boundary layer (PBL) with 10.6 micron Doppler lidar

NASA Technical Reports Server (NTRS)

Gal-Chen, Tzvi; Xu, Mei; Eberhard, Wynn

1990-01-01

A method is devised for calculating wind, momentum, and other flux parameters that characterize the planetary boundary layer (PBL) and thereby facilitate the calibration of spaceborne vs. in situ flux estimates. Single Doppler lidar data are used to estimate the variance of the mean wind and the covariance related to the vertically pointing fluxes of horizontal momentum. The skewness of the vertical velocity and the range of kinetic energy dissipation are also estimated, and the surface heat flux is determined by means of a statistical Navier-Stokes equation. The conclusion shows that the PBL structure combines both 'bottom-up' and 'top-down' processes suggesting that the relevant parameters for the atmospheric boundary layer be revised. The conclusions are of significant interest to the modeling techniques used in General Circulation Models as well as to flux estimation.

Electronic structure and switching behavior of the metastable silicene domain boundary

NASA Astrophysics Data System (ADS)

Oh, Youngtek; Cho, Yeonchoo; Kwon, Hyeokshin; Lee, Junsu; Jeon, Insu; Ko, Wonhee; Kim, Hyo Won; Ku, JiYeon; Kim, Gunn; Suh, Hwansoo; Hwang, Sung Woo

2017-06-01

Silicene, a silicon allotrope with a buckled honeycomb lattice, has been extensively studied in the search for materials with graphene-like properties. Here, we study the domain boundaries of a silicene 4 × 4 superstructure on an Ag(111) surface at the atomic resolution using scanning tunneling microscopy (STM) and spectroscopy (STS) along with density functional theory calculations. The silicene domain boundaries (β-phases) are formed at the interface between misaligned domains (α-phases) and show a bias dependence, forming protrusions or depressions as the sample bias changes. In particular, the STM topographs of the silicene-substrate system at a bias of ˜2.0 V show brightly protruding domain boundaries, which can be explained by an energy state originating from the Si 3s and 3pz orbitals. In addition, the topographs depicting the vicinity of the domain boundaries show that the structure does not follow the buckled geometry of the atomic ball-and-stick model. Inside the domain, STS data showed a step-up at ˜0.4 V, which originated from the Si 3p orbitals. We found this step-up to have shifted, which may be attributed to the strain effect at the interface regions between silver and silicene and between the domain and its boundary upon performing spatially resolved STS measurements. The metastable characteristic of the domain boundary (β-phase) causes changes, such as creation or annihilation, in the buckling structures (switching behavior). The observed low activation energy for the buckling change between distinct states may find applications in the electronic control of properties related to domain boundary structures in silicene.

Zero-G experiments in two-phase fluids flow regimes

NASA Technical Reports Server (NTRS)

Heppner, D. B.; King, C. D.; Littles, J. W.

1975-01-01

The two-phase flows studied were liquid and gas mixtures in a straight flow channel of circular cross-section. Boundaries between flow regimes have been defined for normogravity on coordinates of gas quality and total mass velocity; and, when combined with boundary expressions having a Froude number term, an analytical model was derived predicting boundary shifts with changes in gravity level. Experiments with air and water were performed, first in the normogravity environment of a ground laboratory and then in 'zero gravity' aboard a KC-135 aircraft flying parabolic trajectories. Data reduction confirmed regime boundary shifts in the direction predicted, although the magnitude was a little less than predicted. Pressure drop measurements showed significant increases for the low gravity condition.

Localizing sources of acoustic emission during the martensitic transformation

NASA Astrophysics Data System (ADS)

Niemann, R.; Kopeček, J.; Heczko, O.; Romberg, J.; Schultz, L.; Fähler, S.; Vives, E.; Mañosa, L.; Planes, A.

2014-06-01

Acoustic avalanches are a general feature of solids under stress, e.g., evoked by external compression or arising from internal processes like martensitic phase transformations. From integral measurements, it is usually concluded that nucleation, phase boundary pinning, or interface incompatibilities during this first-order phase transition all may generate acoustic emission. This paper studies the local sources of acoustic emission to enlight the microscopic mechanisms. From two-dimensional spatially resolved acoustic emission measurement and simultaneous optical observation of the surface, we can identify microstructural events at the phase boundary that lead to acoustic emission. A resolution in the 100-μm range was reached for the location of acoustic emission sources on a coarse-grained Ni-Mn-Ga polycrystal. Both, the acoustic activity and the size distribution of the microstructural transformation events, exhibit power-law behavior. The origin of the acoustic emission are elastically incompatible areas, such as differently oriented martensitic plates that meet each other, lamellae growing up to grain boundaries, and grain boundaries in proximity to transforming grains. Using this result, we propose a model to explain the decrease of the critical exponent under a mechanical stress or magnetic field.

Modelling the baroclinic circulation with tidal components in the Adriatic Sea

NASA Astrophysics Data System (ADS)

Guarnieri, A.; Pinardi, N.; Oddo, P.; Bortoluzzi, G.; Ravaioli, M.

2012-04-01

The impact of tides in the circulation of the Adriatic sea has been investigated by means of a nested baroclinic numerical ocean model. Tides have been introduced using a modified Flather boundary condition at the open side of the domain. The results show that tidal amplitudes and phases are reproduced correctly by the baroclinic model and the tidal harmonic constants errors are comparable with those resulting from the most consolidated barotropic models. Numerical experiments were conducted to estimate and assess the impact of (i) the modified Flather lateral boundary condition, (ii) the tides on temperature, salinity and stratification structures in the basin, and (iii) the tides on mixing and circulation in general. Tides induce a different momentum advective component in the basin which in turn produces a different distribution of water masses in the basin. Tides impact on mixing and stratification in the Po river region (north-western Adriatic) and induce fluctuations of salinity and temperature on semidiurnal frequencies in all seasons for the first and only winter for the second.

Photochemical production of O3 in biomass burning plumes in the boundary layer over northern Australia

NASA Astrophysics Data System (ADS)

Takegawa, N.; Kondo, Y.; Ko, M.; Koike, M.; Kita, K.; Blake, D. R.; Hu, W.; Scott, C.; Kawakami, S.; Miyazaki, Y.; Russell-Smith, J.; Ogawa, T.

2003-05-01

In situ aircraft measurements of ozone (O3) and its precursors were made over northern Australia in August-September 1999 during the Biomass Burning and Lightning Experiment Phase B (BIBLE-B). A clear positive correlation of O3 with carbon monoxide (CO) was found in biomass burning plumes in the boundary layer (<3 km). The ΔO3/ΔCO ratio (linear regression slope of O3-CO correlation) is found to be 0.12 ppbv/ppbv, which is comparable to the ratio of 0.15 ppbv/ppbv observed at 0-4 km over the Amazon and Africa in previous studies. The net flux of O3 exported from northern Australia during BIBLE-B is estimated to be 0.3 Gmol O3/day. In the biomass burning region, large enhancements of O3 were coincident with the locations of biomass burning hot spots, suggesting that major O3 production occurred near fires (horizontal scale <50 km).

Molecular dynamics analysis of diffusion of uranium and oxygen ions in uranium dioxide

NASA Astrophysics Data System (ADS)

Arima, T.; Yoshida, K.; Idemitsu, K.; Inagaki, Y.; Sato, I.

2010-03-01

Diffusion behaviours of oxygen and uranium were evaluated for bulk and grain-boundaries of uranium dioxide using the molecular dynamics (MD) simulation. It elucidated that oxygen behaved like liquid in superionic state at high temperatures and migrated on sub-lattice sites accompanying formation of lattice defects such as Frenkel defects at middle temperatures. Formation energies of Frenkel and Shottky defects were compared to literature data, and migration energies of oxygen and uranium were estimated by introducing vacancies into the supercell. For grain-boundaries (GB) modelled by the coincidence-site lattice theory, MD calculations showed that GB energy and diffusivities of oxygen and uranium increased with the misorientation angle. By analysing GB structures such as pair-correlation functions, it also showed that the disordered phase was observed for uranium as well as oxygen in GBs especially for a large misorientation angle such as S5 GB. Hence, GB diffusion was much larger than bulk diffusion for oxygen and uranium.

Boundary-artifact-free phase retrieval with the transport of intensity equation II: applications to microlens characterization.

PubMed

Zuo, Chao; Chen, Qian; Li, Hongru; Qu, Weijuan; Asundi, Anand

2014-07-28

Boundary conditions play a crucial role in the solution of the transport of intensity equation (TIE). If not appropriately handled, they can create significant boundary artifacts across the reconstruction result. In a previous paper [Opt. Express 22, 9220 (2014)], we presented a new boundary-artifact-free TIE phase retrieval method with use of discrete cosine transform (DCT). Here we report its experimental investigations with applications to the micro-optics characterization. The experimental setup is based on a tunable lens based 4f system attached to a non-modified inverted bright-field microscope. We establish inhomogeneous Neumann boundary values by placing a rectangular aperture in the intermediate image plane of the microscope. Then the boundary values are applied to solve the TIE with our DCT-based TIE solver. Experimental results on microlenses highlight the importance of boundary conditions that often overlooked in simplified models, and confirm that our approach effectively avoid the boundary error even when objects are located at the image borders. It is further demonstrated that our technique is non-interferometric, accurate, fast, full-field, and flexible, rendering it a promising metrological tool for the micro-optics inspection.

Experiment-based modelling of grain boundary β-phase (Mg2Al3) evolution during sensitisation of aluminium alloy AA5083.

PubMed

Zhang, R; Steiner, M A; Agnew, S R; Kairy, S K; Davies, C H J; Birbilis, N

2017-06-07

An empirical model for the evolution of β-phase (Mg 2 Al 3 ) along grain boundaries in aluminium alloy AA5083 (Al-Mg-Mn) during isothermal exposures is proposed herein. Developing a quantitative understanding of grain boundary precipitation is important to interpreting intergranular corrosion and stress corrosion cracking in this alloy system. To date, complete ab initio models for grain boundary precipitation based upon fundamental principles of thermodynamics and kinetics are not available, despite the critical role that such precipitates play in dictating intergranular corrosion phenomena. Empirical models can therefore serve an important role in advancing the understanding of grain boundary precipitation kinetics, which is an approach applicable beyond the present context. High resolution scanning electron microscopy was to quantify the size and distribution of β-phase precipitates on Ga-embrittled intergranular fracture surfaces of AA5083. The results are compared with the degree of sensitisation (DoS) as judged by nitric acid mass loss testing (ASTM-G67-04), and discussed with models for sensitisation in 5xxx series Al-alloys. The work herein allows sensitisation to be quantified from an unambiguous microstructural perspective.

Segmentation of the Clustered Cells with Optimized Boundary Detection in Negative Phase Contrast Images

PubMed Central

Wang, Yuliang; Zhang, Zaicheng; Wang, Huimin; Bi, Shusheng

2015-01-01

Cell image segmentation plays a central role in numerous biology studies and clinical applications. As a result, the development of cell image segmentation algorithms with high robustness and accuracy is attracting more and more attention. In this study, an automated cell image segmentation algorithm is developed to get improved cell image segmentation with respect to cell boundary detection and segmentation of the clustered cells for all cells in the field of view in negative phase contrast images. A new method which combines the thresholding method and edge based active contour method was proposed to optimize cell boundary detection. In order to segment clustered cells, the geographic peaks of cell light intensity were utilized to detect numbers and locations of the clustered cells. In this paper, the working principles of the algorithms are described. The influence of parameters in cell boundary detection and the selection of the threshold value on the final segmentation results are investigated. At last, the proposed algorithm is applied to the negative phase contrast images from different experiments. The performance of the proposed method is evaluated. Results show that the proposed method can achieve optimized cell boundary detection and highly accurate segmentation for clustered cells. PMID:26066315

Grain boundaries structures and wetting in doped silicon, nickel and copper

NASA Astrophysics Data System (ADS)

Meshinchi Asl, Kaveh

This thesis reports a series of fundamental investigations of grain boundary wetting, adsorption and structural (phases) transitions in doped Ni, Cu and Si with technological relevance to liquid metal embrittlement, liquid metal corrosion and device applications. First, intrinsically ductile metals are prone to catastrophic failure when exposed to certain liquid metals, but the atomic level mechanism for this effect is not fully understood. A nickel sample infused with bismuth atoms was characterized and a bilayer interfacial phase that is the underlying cause of embrittlement was observed. In a second related study, we showed that addition of minor impurities can significantly enhance the intergranular penetration of bismuth based liquids in polycrystalline nickel and copper, thereby increasing the liquid metal corrosion rates. Furthermore, we extended a concept that was initially proposed in the Rice-Wang model for grain boundary embrittlement to explain our observations of the impurity-enhanced intergranular penetration of liquid metals. Finally, a grain-boundary transition from a bilayer to an intrinsic is observed in the Si-Au system. This observation directly shows that a grain boundary can exhibit a first-order "phase" transition, which often implies abrupt changes in properties.

Stable boundary conditions and difference schemes for Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Dutt, P.

1985-01-01

The Navier-Stokes equations can be viewed as an incompletely elliptic perturbation of the Euler equations. By using the entropy function for the Euler equations as a measure of energy for the Navier-Stokes equations, it was possible to obtain nonlinear energy estimates for the mixed initial boundary value problem. These estimates are used to derive boundary conditions which guarantee L2 boundedness even when the Reynolds number tends to infinity. Finally, a new difference scheme for modelling the Navier-Stokes equations in multidimensions for which it is possible to obtain discrete energy estimates exactly analogous to those we obtained for the differential equation was proposed.

Observations of the Morning Development of the Urban Boundary Layer Over London, UK, Taken During the ACTUAL Project

NASA Astrophysics Data System (ADS)

Halios, Christos H.; Barlow, Janet F.

2018-03-01

The study of the boundary layer can be most difficult when it is in transition and forced by a complex surface, such as an urban area. Here, a novel combination of ground-based remote sensing and in situ instrumentation in central London, UK, is deployed, aiming to capture the full evolution of the urban boundary layer (UBL) from night-time until the fully-developed convective phase. In contrast with the night-time stable boundary layer observed over rural areas, the night-time UBL is weakly convective. Therefore, a new approach for the detection of the morning-transition and rapid-growth phases is introduced, based on the sharp, quasi-linear increase of the mixing height. The urban morning-transition phase varied in duration between 0.5 and 4 h and the growth rate of the mixing layer during the rapid-growth phase had a strong positive relationship with the convective velocity scale, and a weaker, negative relationship with wind speed. Wind shear was found to be higher during the night-time and morning-transition phases than the rapid-growth phase and the shear production of turbulent kinetic energy near the mixing-layer top was around six times larger than surface shear production in summer, and around 1.5 times larger in winter. In summer under low winds, low-level jets dominated the UBL, and shear production was greater than buoyant production during the night-time and the morning-transition phase near the mixing-layer top. Within the rapid-growth phase, buoyant production dominated at the surface, but shear production dominated in the upper half of the UBL. These results imply that regional flows such as low-level jets play an important role alongside surface forcing in determining UBL structure and growth.

A model of irreversible jam formation in dense traffic

NASA Astrophysics Data System (ADS)

Brankov, J. G.; Bunzarova, N. Zh.; Pesheva, N. C.; Priezzhev, V. B.

2018-03-01

We study an one-dimensional stochastic model of vehicular traffic on open segments of a single-lane road of finite size L. The vehicles obey a stochastic discrete-time dynamics which is a limiting case of the generalized Totally Asymmetric Simple Exclusion Process. This dynamics has been previously used by Bunzarova and Pesheva (2017) for an one-dimensional model of irreversible aggregation. The model was shown to have three stationary phases: a many-particle one, MP, a phase with completely filled configuration, CF, and a boundary perturbed MP+CF phase, depending on the values of the particle injection (α), ejection (β) and hopping (p) probabilities. Here we extend the results for the stationary properties of the MP+CF phase, by deriving exact expressions for the local density at the first site of the chain and the probability P(1) of a completely jammed configuration. The unusual phase transition, characterized by jumps in both the bulk density and the current (in the thermodynamic limit), as α crosses the boundary α = p from the MP to the CF phase, is explained by the finite-size behavior of P(1). By using a random walk theory, we find that, when α approaches from below the boundary α = p, three different regimes appear, as the size L → ∞: (i) the lifetime of the gap between the rightmost clusters is of the order O(L) in the MP phase; (ii) small jams, separated by gaps with lifetime O(1) , exist in the MP+CF phase close to the left chain boundary; and (iii) when β = p, the jams are divided by gaps with lifetime of the order O(L 1 / 2) . These results are supported by extensive Monte Carlo calculations.

Switching moving boundary models for two-phase flow evaporators and condensers

NASA Astrophysics Data System (ADS)

Bonilla, Javier; Dormido, Sebastián; Cellier, François E.

2015-03-01

The moving boundary method is an appealing approach for the design, testing and validation of advanced control schemes for evaporators and condensers. When it comes to advanced control strategies, not only accurate but fast dynamic models are required. Moving boundary models are fast low-order dynamic models, and they can describe the dynamic behavior with high accuracy. This paper presents a mathematical formulation based on physical principles for two-phase flow moving boundary evaporator and condenser models which support dynamic switching between all possible flow configurations. The models were implemented in a library using the equation-based object-oriented Modelica language. Several integrity tests in steady-state and transient predictions together with stability tests verified the models. Experimental data from a direct steam generation parabolic-trough solar thermal power plant is used to validate and compare the developed moving boundary models against finite volume models.

Grain boundary diffusion behaviors in hot-deformed Nd2Fe14B magnets by PrNd-Cu low eutectic alloys

NASA Astrophysics Data System (ADS)

Tang, Xu; Chen, Renjie; Li, Ming; Jin, Chaoxiang; Yin, Wenzong; Lee, Don; Yan, Aru

2018-01-01

High coercivity of hot-deformed Nd2Fe14B magnets was obtained by grain boundary diffusion. Comparable squareness and similar magnetic properties for samples diffusing from side and pole surfaces show little discrepancies if quantities of the infiltrated PrNd-Cu low eutectic alloys is enough to obtain sufficient diffusion. However, the microstructures and higher characteristic peak ratios show preferable orientation of grains near surfaces of the sample diffused from side surfaces than that from pole surfaces. Amorphous Nd-rich phases and crystal Fe-rich phases were both observed in the diffused magnets. The enhancement of coercivity is considered to be resulted from grain boundary optimization and magnetic isolation which is caused by the thickened nonmagnetic intergranular phases.

Significance of vapor phase chemical reactions on CVD rates predicted by chemically frozen and local thermochemical equilibrium boundary layer theories

NASA Technical Reports Server (NTRS)

Gokoglu, Suleyman A.

1988-01-01

This paper investigates the role played by vapor-phase chemical reactions on CVD rates by comparing the results of two extreme theories developed to predict CVD mass transport rates in the absence of interfacial kinetic barrier: one based on chemically frozen boundary layer and the other based on local thermochemical equilibrium. Both theories consider laminar convective-diffusion boundary layers at high Reynolds numbers and include thermal (Soret) diffusion and variable property effects. As an example, Na2SO4 deposition was studied. It was found that gas phase reactions have no important role on Na2SO4 deposition rates and on the predictions of the theories. The implications of the predictions of the two theories to other CVD systems are discussed.

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

Simunovic, Srdjan; Piro, Markus H.A.

Thermochimica is a software library that determines a unique combination of phases and their compositions at thermochemical equilibrium. Thermochimica can be used for stand-alone calculations or it can be directly coupled to other codes. This release of the software does not have a graphical user interface (GUI) and it can be executed from the command line or from an Application Programming Interface (API). Also, it is not intended for thermodynamic model development or for constructing phase diagrams. The main purpose of the software is to be directly coupled with a multi-physics code to provide material properties and boundary conditions formore » various physical phenomena. Significant research efforts have been dedicated to enhance computational performance through advanced algorithm development, such as improved estimation techniques and non-linear solvers. Various useful parameters can be provided as output from Thermochimica, such as: determination of which phases are stable at equilibrium, the mass of solution species and phases at equilibrium, mole fractions of solution phase constituents, thermochemical activities (which are related to partial pressures for gaseous species), chemical potentials of solution species and phases, and integral Gibbs energy (referenced relative to standard state). The overall goal is to provide an open source computational tool to enhance the predictive capability of multi-physics codes without significantly impeding computational performance.« less

Intergranular corrosion in AA5XXX aluminum alloys with discontinuous precipitation at the grain boundaries

NASA Astrophysics Data System (ADS)

Bumiller, Elissa

The US Navy currently uses AA5xxx aluminum alloys for structures exposed to a marine environment. These alloys demonstrate excellent corrosion resistance over other aluminum alloys (e.g., AA2xxx or AA7xxx) in this environment, filling a niche in the marine structures market when requiring a light-weight alternative to steel. However, these alloys are susceptible to localized corrosion; more specifically, intergranular corrosion (IGC) is of concern. IGC of AA5xxx alloys due to the precipitation of beta phase on the grain boundaries is a well-established phenomenon referred to as sensitization. At high degrees of sensitization, the IGC path is a continuous anodic path of beta phase particles. At lower degrees of sensitization, the beta phase coverage at the grain boundaries is not continuous. The traditional ranges of susceptibility to IGC as defined by ASTM B928 are in question due to recent studies. These studies showed that even at mid range degrees of sensitization where the beta phase is no longer continuous, IGC may still occur. Previous thoughts on IGC of these alloy systems were founded on the idea that once the grain boundary precipitate became discontinuous the susceptibility to IGC was greatly reduced. Additionally, IGC susceptibility has been defined metallurgically by compositional gradients at the grain boundaries. However, AA5xxx alloys show no compositional gradients at the grain boundaries, yet are still susceptible to IGC. The goal of this work is to establish criteria necessary for IGC to occur given no continuous beta phase path and no compositional gradient at the grain boundaries. IGC performance of the bulk alloy system AA5083 has been studied along with the primary phases present in the IGC system: alpha and beta phases using electrochemistry and modeling as the primary tools. Numerical modeling supports that at steady-state the fissure tip is likely saturated with Mg in excess of the 4% dissolved in the matrix. By combining these results, quantitative insights into the IGC susceptibility of AA5xxx alloys is gained. As the aspect ratio increases, the concentration of metal ions in the fissure solution increases, thus driving up the ability to form corrosion product, whether precipitate or gelatinous product. As the theta beta increases, the IGC rates increase for a constant potential. By a combination of aspect ratio, φp, thetabeta, and likely fissure chemistry, the potential drop within the fissure is fully described and the IGC penetration rate can be predicted.

Mechanisms of devitrification of grain boundary glassy phases in Si3N4 materials

NASA Technical Reports Server (NTRS)

Hench, L. L.

1982-01-01

Changes in the grain boundary (g.b.) phases of Si3N4 are analyzed, the effects of composition and thermal history on devitrification of the g.b. phases are determined, devitrification of the g.b. phases of Si3N are related to mechanical behavior and oxidation sensitivity of the material. The phase relationships that occur within the grain boundaries of Si3N4 containing various densification aids are reviewed. Comparisons of the effects of MgO, Y2O3, CeO2, and Y2O3 + AL2O3 are made in terms of the phase equilibria of the Si3N4 + SiO2 + additive compositional system. Two new equilibrium phase diagrams for the Si3N4-SiO2 and Y2O3 and Si3N4-SiO2-Ce2O3 systems are preented. The effects of Y2O3 vs CeO2 densification aids on the fracture surfaces of Si3N4 are compared. Auger electron spectroscopy shows that both oxides are concentrated within the fracture surface. Scanning electron microscopy shows evidence that Si3N4 with CeO2 formed an intergranular structure of fine grained oxynitride reaction products, as predicted by phase quilibria, whereas the Y2O3 containing sample shows evidence of an intergranular glassy phase.

Nanoscale Properties of Rocks and Subduction Zone Rheology: Inferences for the Mechanisms of Deep Earthquakes

NASA Astrophysics Data System (ADS)

Riedel, M. R.

2007-12-01

Grain boundaries are the key for the understanding of mineral reaction kinetics. More generally, nanometer scale processes involved in breaking and establishing bonds at reaction sites determine how and at which rate bulk rock properties change in response to external tectonic forcing and possibly feed back into various geodynamic processes. A particular problem is the effects of grain-boundary energy on the kinetics of the olivine-spinel phase transformation in subducting slabs. Slab rheology is affected in many ways by this (metastable) mineral phase change. Sluggish kinetics due to metastable hindrance is likely to cause particular difficulties, because of possible strong non-linear feedback loops between strain-rate and change of creep properties during transformation. In order to get these nanoscale properties included into thermo-mechanical models, reliable kinetic data is required. The measurement of grain-boundary energies is, however, a rather difficult problem. Conventional methods of grain boundary surface tension measurement include (a) equilibrium angles at triple junction (b) rotating ball method (c) thermal groove method, and others (Gottstein & Shvindlerman, 1999). Here I suggest a new method that allows for the derivation of grain-boundary energies for an isochemical phase transformation based on experimental (in-situ) kinetic data in combination with a corresponding dynamic scaling law (Riedel and Karato, 1997). The application of this method to the olivine-spinel phase transformation in subducting slabs provides a solution to the extrapolation problem of measured kinetic data: Any kinetic phase boundary measured at the laboratory time scale can be "scaled" to the correct critical isotherm at subduction zones, under experimentelly "forbidden" conditions (Liou et al., 2000). Consequences for the metastability hypothesis that relates deep seismicity with olivine metastability are derived and discussed. References: Gottstein G, Shvindlerman LS (1999) Grain Boundary Migration in Metals, CRC Press, 385 pp., New York. Riedel MR, Karato S (1997) Grain-Size Evolution in Subducted Oceanic Lithosphere Associated with the Olivine- Spinel Transformation and Its Effects on Rheology. EPSL 148: 27-43. Liou JG, Hacker BR, Zhang RY (2000) Into the forbidden zone. Science 287, 1215-1216.

PockDrug-Server: a new web server for predicting pocket druggability on holo and apo proteins

PubMed Central

Hussein, Hiba Abi; Borrel, Alexandre; Geneix, Colette; Petitjean, Michel; Regad, Leslie; Camproux, Anne-Claude

2015-01-01

Predicting protein pocket's ability to bind drug-like molecules with high affinity, i.e. druggability, is of major interest in the target identification phase of drug discovery. Therefore, pocket druggability investigations represent a key step of compound clinical progression projects. Currently computational druggability prediction models are attached to one unique pocket estimation method despite pocket estimation uncertainties. In this paper, we propose ‘PockDrug-Server’ to predict pocket druggability, efficient on both (i) estimated pockets guided by the ligand proximity (extracted by proximity to a ligand from a holo protein structure) and (ii) estimated pockets based solely on protein structure information (based on amino atoms that form the surface of potential binding cavities). PockDrug-Server provides consistent druggability results using different pocket estimation methods. It is robust with respect to pocket boundary and estimation uncertainties, thus efficient using apo pockets that are challenging to estimate. It clearly distinguishes druggable from less druggable pockets using different estimation methods and outperformed recent druggability models for apo pockets. It can be carried out from one or a set of apo/holo proteins using different pocket estimation methods proposed by our web server or from any pocket previously estimated by the user. PockDrug-Server is publicly available at: http://pockdrug.rpbs.univ-paris-diderot.fr. PMID:25956651

PockDrug-Server: a new web server for predicting pocket druggability on holo and apo proteins.

PubMed

Hussein, Hiba Abi; Borrel, Alexandre; Geneix, Colette; Petitjean, Michel; Regad, Leslie; Camproux, Anne-Claude

2015-07-01

Predicting protein pocket's ability to bind drug-like molecules with high affinity, i.e. druggability, is of major interest in the target identification phase of drug discovery. Therefore, pocket druggability investigations represent a key step of compound clinical progression projects. Currently computational druggability prediction models are attached to one unique pocket estimation method despite pocket estimation uncertainties. In this paper, we propose 'PockDrug-Server' to predict pocket druggability, efficient on both (i) estimated pockets guided by the ligand proximity (extracted by proximity to a ligand from a holo protein structure) and (ii) estimated pockets based solely on protein structure information (based on amino atoms that form the surface of potential binding cavities). PockDrug-Server provides consistent druggability results using different pocket estimation methods. It is robust with respect to pocket boundary and estimation uncertainties, thus efficient using apo pockets that are challenging to estimate. It clearly distinguishes druggable from less druggable pockets using different estimation methods and outperformed recent druggability models for apo pockets. It can be carried out from one or a set of apo/holo proteins using different pocket estimation methods proposed by our web server or from any pocket previously estimated by the user. PockDrug-Server is publicly available at: http://pockdrug.rpbs.univ-paris-diderot.fr. © The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.

A model for the estimation of the surface fluxes of momentum, heat and moisture of the cloud topped marine atmospheric boundary layer from satellite measurable parameters. M.S. Thesis

NASA Technical Reports Server (NTRS)

Allison, D. E.

1984-01-01

A model is developed for the estimation of the surface fluxes of momentum, heat, and moisture of the cloud topped marine atmospheric boundary layer by use of satellite remotely sensed parameters. The parameters chosen for the problem are the integrated liquid water content, q sub li, the integrated water vapor content, q sub vi, the cloud top temperature, and either a measure of the 10 meter neutral wind speed or the friction velocity at the surface. Under the assumption of a horizontally homogeneous, well-mixed boundary layer, the model calculates the equivalent potential temperature and total water profiles of the boundary layer along with the boundary layer height from inputs of q sub li, q sub vi, and cloud top temperature. These values, along with the 10m neutral wind speed or friction velocity and the sea surface temperature are then used to estimate the surface fluxes. The development of a scheme to parameterize the integrated water vapor outside of the boundary layer for the cases of cold air outbreak and California coastal stratus is presented.

Elastic excitations in BaTiO3 single crystals and ceramics: Mobile domain boundaries and polar nanoregions observed by resonant ultrasonic spectroscopy

NASA Astrophysics Data System (ADS)

Salje, Ekhard K. H.; Carpenter, Michael A.; Nataf, Guillaume F.; Picht, Gunnar; Webber, Kyle; Weerasinghe, Jeevaka; Lisenkov, S.; Bellaiche, L.

2013-01-01

The dynamic properties of elastic domain walls in BaTiO3 were investigated using resonance ultrasonic spectroscopy (RUS). The sequence of phase transitions is characterized by minima in the temperature dependence of RUS resonance frequencies and changes in Q factors (resonance damping). Damping is related to the friction of mobile twin boundaries (90° ferroelectric walls) and distorted polar nanoregions (PNRs) in the cubic phase. Damping is largest in the tetragonal phase of ceramic materials but very low in single crystals. Damping is also small in the low-temperature phases of the ceramic sample and slightly increases with decreasing temperature in the single crystal. The phase angle between the real and imaginary part of the dynamic response function changes drastically in the cubic and tetragonal phases and remains constant in the orthorhombic phase. Other phases show a moderate dependence of the phase angle on temperature showing systematic changes of twin microstructures. Mobile twin boundaries (or sections of twin boundaries such as kinks inside twin walls) contribute strongly to the energy dissipation of the forced oscillation while the reduction in effective modulus due to relaxing twin domains is weak. Single crystals and ceramics show strong precursor softening in the cubic phase related to polar nanoregions (PNRs). The effective modulus decreases when the transition point of the cubic-tetragonal transformation is approached from above. The precursor softening follows temperature dependence very similar to recent results from Brillouin scattering. Between the Burns temperature (≈586 K) and Tc at 405 K, we found a good fit of the squared RUS frequency [˜Δ (C11-C12)] to a Vogel-Fulcher process with an activation energy of ˜0.2 eV. Finally, some first-principles-based effective Hamiltonian computations were carried out in BaTiO3 single domains to explain some of these observations in terms of the dynamics of the soft mode and central mode.

Molecular dynamics study on the effect of boundary heating rate on the phase change characteristics of thin film liquid

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

Hasan, Mohammad Nasim, E-mail: nasim@me.buet.ac.bd.com; Morshed, A. K. M. Monjur, E-mail: shavik@me.buet.ac.bd.com; Rabbi, Kazi Fazle, E-mail: rabbi35.me10@gmail.com

2016-07-12

In this study, theoretical investigation of thin film liquid phase change phenomena under different boundary heating rates has been conducted with the help of molecular dynamics simulation. To do this, the case of argon boiling over a platinum surface has been considered. The study has been conducted to get a better understanding of the nano-scale physics of evaporation/boiling for a three phase system with particular emphasis on the effect of boundary heating rate. The simulation domain consisted of liquid and vapor argon atoms placed over a platinum wall. Initially the whole system was brought to an equilibrium state at 90more » K with the help of equilibrium molecular dynamics and then the temperature of the bottom wall was increased to a higher temperature (250 K/130 K) over a finite heating period. Depending on the heating period, the boundary heating rate has been varied in the range of 1600×10{sup 9} K/s to 8×10{sup 9} K/s. The variations of argon region temperature, pressure, net evaporation number with respect to time under different boundary heating rates have been determined and discussed. The heat fluxes normal to platinum wall for different cases were also calculated and compared with theoretical upper limit of maximum possible heat transfer to elucidate the effect of boundary heating rate.« less

An introduction to wavelet analysis in oceanography and meteorology - With application to the dispersion of Yanai waves

NASA Technical Reports Server (NTRS)

Meyers, Steven D.; Kelly, B. G.; O'Brien, J. J.

1993-01-01

Wavelet analysis is a relatively new technique that is an important addition to standard signal analysis methods. Unlike Fourier analysis that yields an average amplitude and phase for each harmonic in a dataset, the wavelet transform produces an instantaneous estimate or local value for the amplitude and phase of each harmonic. This allows detailed study of nonstationary spatial or time-dependent signal characteristics. The wavelet transform is discussed, examples are given, and some methods for preprocessing data for wavelet analysis are compared. By studying the dispersion of Yanai waves in a reduced gravity equatorial model, the usefulness of the transform is demonstrated. The group velocity is measured directly over a finite range of wavenumbers by examining the time evolution of the transform. The results agree well with linear theory at higher wavenumber but the measured group velocity is reduced at lower wavenumbers, possibly due to interaction with the basin boundaries.

Fractional Order Two-Temperature Dual-Phase-Lag Thermoelasticity with Variable Thermal Conductivity

PubMed Central

Mallik, Sadek Hossain; Kanoria, M.

2014-01-01

A new theory of two-temperature generalized thermoelasticity is constructed in the context of a new consideration of dual-phase-lag heat conduction with fractional orders. The theory is then adopted to study thermoelastic interaction in an isotropic homogenous semi-infinite generalized thermoelastic solids with variable thermal conductivity whose boundary is subjected to thermal and mechanical loading. The basic equations of the problem have been written in the form of a vector-matrix differential equation in the Laplace transform domain, which is then solved by using a state space approach. The inversion of Laplace transforms is computed numerically using the method of Fourier series expansion technique. The numerical estimates of the quantities of physical interest are obtained and depicted graphically. Some comparisons of the thermophysical quantities are shown in figures to study the effects of the variable thermal conductivity, temperature discrepancy, and the fractional order parameter. PMID:27419210

Influence of Homogenization on Microstructural Response and Mechanical Property of Al-Cu-Mn Alloy.

PubMed

Wang, Jian; Lu, Yalin; Zhou, Dongshuai; Sun, Lingyan; Li, Renxing; Xu, Wenting

2018-05-29

The evolution of the microstructures and properties of large direct chill (DC)-cast Al-Cu-Mn alloy ingots during homogenization was investigated. The results revealed that the Al-Cu-Mn alloy ingots had severe microsegregation and the main secondary phase was Al₂Cu, with minimal Al₇Cu₂Fe phase. Numerous primary eutectic phases existed in the grain boundary and the main elements were segregated at the interfaces along the interdendritic region. The grain boundaries became discontinuous, residual phases were effectively dissolved into the matrix, and the segregation degree of all elements was reduced dramatically during homogenization. In addition, the homogenized alloys exhibited improved microstructures with finer grain size, higher number density of dislocation networks, higher density of uniformly distributed θ' or θ phase (Al₂Cu), and higher volume fraction of high-angle grain boundaries compared to the nonhomogenized samples. After the optimal homogenization scheme treated at 535 °C for 10 h, the tensile strength and elongation% were about 24 MPa, 20.5 MPa, and 1.3% higher than those of the specimen without homogenization treatment.

Microstructure control of Al-Cu films for improved electromigration resistance

DOEpatents

Frear, Darrel R.; Michael, Joseph R.; Romig, Jr., Alton D.

1994-01-01

A process for the forming of Al-Cu conductive thin films with reduced electromigration failures is useful, for example, in the metallization of integrated circuits. An improved formation process includes the heat treatment or annealing of the thin film conductor at a temperature within the range of from 200.degree. C. to 300.degree. C. for a time period between 10 minutes and 24 hours under a reducing atmosphere such as 15% H.sub.2 in N.sub.2 by volume. Al-Cu thin films annealed in the single phase region of a phase diagram, to temperatures between 200.degree. C. and 300.degree. C. have .theta.-phase Al.sub.2 Cu precipitates at the grain boundaries continuously become enriched in copper, due, it is theorized, to the formation of a thin coating of .theta.-phase precipitate at the grain boundary. Electromigration behavior of the aluminum is, thus, improved because the .theta.-phase precipitates with copper hinder aluminum diffusion along the grain boundaries. Electromigration, then, occurs mainly within the aluminum grains, a much slower process.

Phase diagram and high-pressure boundary of hydrate formation in the ethane-water system.

PubMed

Kurnosov, Alexander V; Ogienko, Andrey G; Goryainov, Sergei V; Larionov, Eduard G; Manakov, Andrey Y; Lihacheva, Anna Y; Aladko, Eugeny Y; Zhurko, Fridrikh V; Voronin, Vladimir I; Berger, Ivan F; Ancharov, Aleksei I

2006-11-02

Dissociation temperatures of gas hydrate formed in the ethane-water system were studied at pressures up to 1500 MPa. In situ neutron diffraction analysis and X-ray diffraction analysis in a diamond anvil cell showed that the gas hydrate formed in the ethane-water system at 340, 700, and 1840 MPa and room temperature belongs to the cubic structure I (CS-I). Raman spectra of C-C vibrations of ethane molecules in the hydrate phase, as well as the spectra of solid and liquid ethane under high-pressure conditions were studied at pressures up to 6900 MPa. Within 170-3600 MPa Raman shift of the C-C vibration mode of ethane in the hydrate phase did not show any discontinuities, which could be evidence of possible phase transformations. The upper pressure boundary of high-pressure hydrate existence was discovered at the pressure of 3600 MPa. This boundary corresponds to decomposition of the hydrate to solid ethane and ice VII. The type of phase diagram of ethane-water system was proposed in the pressure range of hydrate formation (0-3600 MPa).

In-situ crystal structure determination of seifertite SiO 2 at 129 GPa: Studying a minor phase near Earth’s core–mantle boundary

DOE PAGES

Zhang, Li; Popov, Dmitry; Meng, Yue; ...

2016-01-01

Seifertite SiO₂ likely exists as a minor phase near the core–mantle boundary. By simulating the pressure and temperature conditions near the core–mantle boundary, seifertite was synthesized as a minor phase in a coarse-grained, polycrystalline sample coexisting with the (Mg,Fe)SiO₃ post-perovskite (pPv) phase at 129 GPa and 2500 K. Here we report the first in situ single-crystal structure determination and refinement of seifertite at high pressure and after a temperature quench from laser heating. We improved the data coverage of a minor phase from a diamond-anvil cell (DAC) by merging single-crystal data of seifertite from six selected grains that had differentmore » orientations. Observed systematic absences of reflections from the six individual grains allowed only one space group: Pbcn. The refined results of seifertite are in good agreement with the predictions from previous first-principles calculations at high pressure. This approach provides a method for structure determination of a minor phase in a mineral assemblage synthesized under P-T conditions representative of the deep Earth.« less

In-situ crystal structure determination of seifertite SiO 2 at 129 GPa: Studying a minor phase near Earth’s core–mantle boundary

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

Zhang, Li; Popov, Dmitry; Meng, Yue

Seifertite SiO₂ likely exists as a minor phase near the core–mantle boundary. By simulating the pressure and temperature conditions near the core–mantle boundary, seifertite was synthesized as a minor phase in a coarse-grained, polycrystalline sample coexisting with the (Mg,Fe)SiO₃ post-perovskite (pPv) phase at 129 GPa and 2500 K. Here we report the first in situ single-crystal structure determination and refinement of seifertite at high pressure and after a temperature quench from laser heating. We improved the data coverage of a minor phase from a diamond-anvil cell (DAC) by merging single-crystal data of seifertite from six selected grains that had differentmore » orientations. Observed systematic absences of reflections from the six individual grains allowed only one space group: Pbcn. The refined results of seifertite are in good agreement with the predictions from previous first-principles calculations at high pressure. This approach provides a method for structure determination of a minor phase in a mineral assemblage synthesized under P-T conditions representative of the deep Earth.« less

Phase-relationships between scales in the perturbed turbulent boundary layer

NASA Astrophysics Data System (ADS)

Jacobi, I.; McKeon, B. J.

2017-12-01

The phase-relationship between large-scale motions and small-scale fluctuations in a non-equilibrium turbulent boundary layer was investigated. A zero-pressure-gradient flat plate turbulent boundary layer was perturbed by a short array of two-dimensional roughness elements, both statically, and under dynamic actuation. Within the compound, dynamic perturbation, the forcing generated a synthetic very-large-scale motion (VLSM) within the flow. The flow was decomposed by phase-locking the flow measurements to the roughness forcing, and the phase-relationship between the synthetic VLSM and remaining fluctuating scales was explored by correlation techniques. The general relationship between large- and small-scale motions in the perturbed flow, without phase-locking, was also examined. The synthetic large scale cohered with smaller scales in the flow via a phase-relationship that is similar to that of natural large scales in an unperturbed flow, but with a much stronger organizing effect. Cospectral techniques were employed to describe the physical implications of the perturbation on the relative orientation of large- and small-scale structures in the flow. The correlation and cospectral techniques provide tools for designing more efficient control strategies that can indirectly control small-scale motions via the large scales.

Boundary Korn Inequality and Neumann Problems in Homogenization of Systems of Elasticity

NASA Astrophysics Data System (ADS)

Geng, Jun; Shen, Zhongwei; Song, Liang

2017-06-01

This paper is concerned with a family of elliptic systems of linear elasticity with rapidly oscillating periodic coefficients, arising in the theory of homogenization. We establish uniform optimal regularity estimates for solutions of Neumann problems in a bounded Lipschitz domain with L 2 boundary data. The proof relies on a boundary Korn inequality for solutions of systems of linear elasticity and uses a large-scale Rellich estimate obtained in Shen (Anal PDE, arXiv:1505.00694v2).

Study of the effect of wind speed on evaporation from soil through integrated modeling of the atmospheric boundary layer and shallow subsurface.

PubMed

Davarzani, Hossein; Smits, Kathleen; Tolene, Ryan M; Illangasekare, Tissa

2014-01-01

In an effort to develop methods based on integrating the subsurface to the atmospheric boundary layer to estimate evaporation, we developed a model based on the coupling of Navier-Stokes free flow and Darcy flow in porous medium. The model was tested using experimental data to study the effect of wind speed on evaporation. The model consists of the coupled equations of mass conservation for two-phase flow in porous medium with single-phase flow in the free-flow domain under nonisothermal, nonequilibrium phase change conditions. In this model, the evaporation rate and soil surface temperature and relative humidity at the interface come directly from the integrated model output. To experimentally validate numerical results, we developed a unique test system consisting of a wind tunnel interfaced with a soil tank instrumented with a network of sensors to measure soil-water variables. Results demonstrated that, by using this coupling approach, it is possible to predict the different stages of the drying process with good accuracy. Increasing the wind speed increases the first stage evaporation rate and decreases the transition time between two evaporative stages (soil water flow to vapor diffusion controlled) at low velocity values; then, at high wind speeds the evaporation rate becomes less dependent on the wind speed. On the contrary, the impact of wind speed on second stage evaporation (diffusion-dominant stage) is not significant. We found that the thermal and solute dispersion in free-flow systems has a significant influence on drying processes from porous media and should be taken into account.

Study of the effect of wind speed on evaporation from soil through integrated modeling of the atmospheric boundary layer and shallow subsurface

PubMed Central

Davarzani, Hossein; Smits, Kathleen; Tolene, Ryan M; Illangasekare, Tissa

2014-01-01

In an effort to develop methods based on integrating the subsurface to the atmospheric boundary layer to estimate evaporation, we developed a model based on the coupling of Navier-Stokes free flow and Darcy flow in porous medium. The model was tested using experimental data to study the effect of wind speed on evaporation. The model consists of the coupled equations of mass conservation for two-phase flow in porous medium with single-phase flow in the free-flow domain under nonisothermal, nonequilibrium phase change conditions. In this model, the evaporation rate and soil surface temperature and relative humidity at the interface come directly from the integrated model output. To experimentally validate numerical results, we developed a unique test system consisting of a wind tunnel interfaced with a soil tank instrumented with a network of sensors to measure soil-water variables. Results demonstrated that, by using this coupling approach, it is possible to predict the different stages of the drying process with good accuracy. Increasing the wind speed increases the first stage evaporation rate and decreases the transition time between two evaporative stages (soil water flow to vapor diffusion controlled) at low velocity values; then, at high wind speeds the evaporation rate becomes less dependent on the wind speed. On the contrary, the impact of wind speed on second stage evaporation (diffusion-dominant stage) is not significant. We found that the thermal and solute dispersion in free-flow systems has a significant influence on drying processes from porous media and should be taken into account. PMID:25309005

An Automatic Phase-Change Detection Technique for Colloidal Hard Sphere Suspensions

NASA Technical Reports Server (NTRS)

McDowell, Mark; Gray, Elizabeth; Rogers, Richard B.

2005-01-01

Colloidal suspensions of monodisperse spheres are used as physical models of thermodynamic phase transitions and as precursors to photonic band gap materials. However, current image analysis techniques are not able to distinguish between densely packed phases within conventional microscope images, which are mainly characterized by degrees of randomness or order with similar grayscale value properties. Current techniques for identifying the phase boundaries involve manually identifying the phase transitions, which is very tedious and time consuming. We have developed an intelligent machine vision technique that automatically identifies colloidal phase boundaries. The algorithm utilizes intelligent image processing techniques that accurately identify and track phase changes vertically or horizontally for a sequence of colloidal hard sphere suspension images. This technique is readily adaptable to any imaging application where regions of interest are distinguished from the background by differing patterns of motion over time.

Greenhouse gas emissions of alternative pavement designs: framework development and illustrative application.

PubMed

Liu, Xiaoyu; Cui, Qingbin; Schwartz, Charles

2014-01-01

Pavement rehabilitation is carbon intensive and the choice of pavement type is a critical factor in controlling greenhouse gas (GHG) emissions. The existing body of knowledge is not able to support decision-making on pavement choice due to a lack of consensus on the system boundaries, the functional units and the estimation periods. Excessive data requirements further inhibit the generalization of the existing methodologies for design evaluation at the early planning stage. This study proposes a practical life-cycle GHG estimation approach, which is arguably effective to benchmark pavement emissions given project bid tabulation. A set of case studies conducted for this study suggest that recycled asphalt pavement (e.g., foam stabilized base (FSB), and warm mix asphalt (WMA)) would prevent up to 50% of GHGs from the initial construction phase. However, from a life-cycle perspective, pavement emissions are dictated largely by the traffic characteristics and the analysis period for the use phase. The benefits from using recycled materials (e.g., FSB) are likely to diminish if the recycled products do not perform as well as those properly proportioned with less recycled materials, or if the recycled materials are locally unavailable. When the AADT reaches 10,000, use phase releases more than 97% of the life cycle emissions and the emissions difference among alternative designs will be within 1%. Copyright © 2013 Elsevier Ltd. All rights reserved.

3D Boundary Element Analysis for Composite Joints with discrete Damage. Part 1.

DTIC Science & Technology

1996-11-15

WHS/DIOR, Oct 94 Fracture Analysis Consultants, Inc. 121 Eastern Heights Dr. Ithaca, New York 14850 (607) 257-4970 SBIR Topic AF96 -150 3D Boundary...41 1 F33615-96-C-5070 SBIR Topic AF96 -150: Phase I Final Report Sunmmry Report WL/MLBM solicited Phase I SBIR proposals to develop a capability...materials; no precomputations are required. 2 F33615-96-C-5070 SBIR Topic AF96 -150: Phase I Final Report Task 6. We have developed a fully 3D Galerkin BEM

Robust pupil center detection using a curvature algorithm

NASA Technical Reports Server (NTRS)

Zhu, D.; Moore, S. T.; Raphan, T.; Wall, C. C. (Principal Investigator)

1999-01-01

Determining the pupil center is fundamental for calculating eye orientation in video-based systems. Existing techniques are error prone and not robust because eyelids, eyelashes, corneal reflections or shadows in many instances occlude the pupil. We have developed a new algorithm which utilizes curvature characteristics of the pupil boundary to eliminate these artifacts. Pupil center is computed based solely on points related to the pupil boundary. For each boundary point, a curvature value is computed. Occlusion of the boundary induces characteristic peaks in the curvature function. Curvature values for normal pupil sizes were determined and a threshold was found which together with heuristics discriminated normal from abnormal curvature. Remaining boundary points were fit with an ellipse using a least squares error criterion. The center of the ellipse is an estimate of the pupil center. This technique is robust and accurately estimates pupil center with less than 40% of the pupil boundary points visible.

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

PubMed

Nibu; Suemori; Inoue

1997-07-01

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

Application of constrained equilibrium thermodynamics to irradiated alloy systems

NASA Astrophysics Data System (ADS)

Holloway, James Paul; Stubbins, James F.

1984-05-01

Equilibrium thermodynamics are applied to systems with an excess of point defects to calculate the relative stability of phases. It is possible to model systems with supersaturation levels of vacancies and interstitials, such as those found under irradiation. The calculations reveal the extent to which phase compositional boundaries could shift when one phase or both in a two phase system contain an excess of point defects. Phase boundary shifts in the Ni-Si, Fe-Ni, Ni-Cr, and Fe-Cr systems are examined as a function of the number of excess defects in each phase. It is also found that the critical temperature of the sigma phase in the Fe-Cr system and the fcc-bcc transition in the Fe-Ni are sensitive to excess defect concentrations. These results may apply to local irradiation-induced phase transformations in the presence of solute segregation.

Study of Ferrite During Refinement of Prior Austenite Grains in Microalloyed Steel Continuous Casting

NASA Astrophysics Data System (ADS)

Liu, Jiang; Wen, Guanghua; Tang, Ping

2017-12-01

The formation of coarse prior austenite grain is a key factor to promote transverse crack, and the susceptibility to the transverse crack can be reduced by refining the austenite grain size. In the present study, the high-temperature confocal laser scanning microscope (CLSM) was used to simulate two types of double phase-transformation technologies. The distribution and morphology of ferrites under different cooling conditions were analyzed, and the effects of ferrite distribution and morphology on the double phase-transformation technologies were explored to obtain the suitable double phase-change technology for the continuous casting process. The results indicate that, under the thermal cycle TH0 [the specimens were cooled down to 913 K (640 °C) at a cooling rate of 5.0 K/s (5.0 °C/s)], the width of prior austenite grain boundaries was thick, and the dislocation density at grain boundaries was high. It had strong inhibition effect on crack propagation; under the thermal cycle TH1 [the specimens were cooled down to 1073 K (800 °C) at a cooling rate of 5.0 K/s (5.0 °C/s) and then to 913 K (640 °C) at a cooling rate of 1.0 K/s (1.0 °C/s)], the width of prior austenite grain boundary was thin, and the dislocation density at grain boundaries was low. It was beneficial to crack propagation. After the first phase change, the developed film-like ferrite along the austenite grain boundaries improved the nucleation conditions of new austenitic grains and removed the inhibition effect of the prior austenite grain boundaries on the austenite grain size.

Subband-Based Group Delay Segmentation of Spontaneous Speech into Syllable-Like Units

NASA Astrophysics Data System (ADS)

Nagarajan, T.; Murthy, H. A.

2004-12-01

In the development of a syllable-centric automatic speech recognition (ASR) system, segmentation of the acoustic signal into syllabic units is an important stage. Although the short-term energy (STE) function contains useful information about syllable segment boundaries, it has to be processed before segment boundaries can be extracted. This paper presents a subband-based group delay approach to segment spontaneous speech into syllable-like units. This technique exploits the additive property of the Fourier transform phase and the deconvolution property of the cepstrum to smooth the STE function of the speech signal and make it suitable for syllable boundary detection. By treating the STE function as a magnitude spectrum of an arbitrary signal, a minimum-phase group delay function is derived. This group delay function is found to be a better representative of the STE function for syllable boundary detection. Although the group delay function derived from the STE function of the speech signal contains segment boundaries, the boundaries are difficult to determine in the context of long silences, semivowels, and fricatives. In this paper, these issues are specifically addressed and algorithms are developed to improve the segmentation performance. The speech signal is first passed through a bank of three filters, corresponding to three different spectral bands. The STE functions of these signals are computed. Using these three STE functions, three minimum-phase group delay functions are derived. By combining the evidence derived from these group delay functions, the syllable boundaries are detected. Further, a multiresolution-based technique is presented to overcome the problem of shift in segment boundaries during smoothing. Experiments carried out on the Switchboard and OGI-MLTS corpora show that the error in segmentation is at most 25 milliseconds for 67% and 76.6% of the syllable segments, respectively.

Effect of Hydrogen and Carbon on the Melting Temperature of the Core

NASA Astrophysics Data System (ADS)

Nakajima, Y.; Sakamaki, K.; Takahashi, E.; Fukai, Y.; Suzuki, T.; Funakoshi, K.

2007-12-01

The temperature of the Earth's outer core has been discussed based on the melting temperature of Fe- O-S alloys (e.g., Boehler, 1996). Although hydrogen and carbon are the possible candidates of the core component, their effects on the melting temperature of iron at high-pressures are unclear. Using a Kawai-type multi-anvil apparatus at SPring-8 synchrotron, we carried out a series of melting experiments on FeH and Fe3C up to 20 and 28 GPa, respectively. In the experiments on FeH, Fe sponge mixed with MgO was packed into a NaCl container with a hydrogen source, LiAlH4 (e.g., Fukai et al., 1989). During heating under high-pressures, hydrogenation of iron was observed by volume change. The phase boundary between ɛ'-phase (low-temperature phase) and γ-phase (high-temperature phase) of iron-hydride was determined using both cooling and heating experiments. Hydrogen concentrations in the γ-FeHx and ɛ'-FeHx were calculated based on the excess volume data from that of pure iron. It is found that γ-FeHx and ɛ'-FeHx synthesized in our experiments at pressures between 10 and 20 GPa are nearly stoichiometric FeH. Melting temperature of the γ-FeH was determined by the abrupt change in the X-ray diffraction patterns (crystalline to amorphous). The melting temperatures were determined to be 1473, 1473, 1493, 1573 and 1593 K at 10, 11.5, 15, 18 and 20 GPa, respectively. In the experiments using Fe3C, the synthesized Fe3C powder was encapsulated in a MgO container. In the diffraction sequences during heating, the peaks of Fe3C disappeared, and the new peaks identified as those of Fe7C3 were observed with halo caused by liquid. Finally, the Fe7C3 peaks disappeared, and only the halo pattern was observed. Based on these observations, the incongruent melting of Fe3C to Fe7C3 and liquid is estimated to occur at 1823 and 1923 K at 19.7 and 27.0 GPa, respectively. The liquidus temperatures of the Fe3C composition are found to be at 2098 and 2198 K at 19.5 and 26.8 GPa, respectively. The melting temperatures of Fe3C determined by our experiments are >700 K lower than that of the previous estimation based on thermodynamic calculation (Wood, 1993). Our experimental results show a possibility that the hydrogen and carbon lower the melting temperature of iron (outer core) dramatically. The melting temperatures of γ-FeH and Fe3C at 20 GPa are already 500 K lower than that of pure iron estimated by Anderson and Isaak (2000). Extrapolating our experimental melting curves for FeH and Fe3C to core pressures using Lindemann's melting law, we obtained the melting temperatures to be ~2600 and ~2900 K at the core-mantle boundary (CMB), respectively. In the presence of both hydrogen and carbon, melting temperature of the Earth's outer core could be >1500 K lower than that of the previous estimates, implying that the temperature gap at CMB could be much smaller than the current estimates.

Indirect boundary force measurements in beam-like structures using a derivative estimator

NASA Astrophysics Data System (ADS)

Chesne, Simon

2014-12-01

This paper proposes a new method for the identification of boundary forces (shear force or bending moment) in a beam, based on displacement measurements. The problem is considered in terms of the determination of the boundary spatial derivatives of transverse displacements. By assuming the displacement fields to be approximated by Taylor expansions in a domain close to the boundaries, the spatial derivatives can be estimated using specific point-wise derivative estimators. This approach makes it possible to extract the derivatives using a weighted spatial integration of the displacement field. Following the theoretical description, numerical simulations made with exact and noisy data are used to determine the relationship between the size of the integration domain and the wavelength of the vibrations. The simulations also highlight the self-regularization of the technique. Experimental measurements demonstrate the feasibility and accuracy of the proposed method.

Stability analysis of BWR nuclear-coupled thermal-hyraulics using a simple model

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

Karve, A.A.; Rizwan-uddin; Dorning, J.J.

1995-09-01

A simple mathematical model is developed to describe the dynamics of the nuclear-coupled thermal-hydraulics in a boiling water reactor (BWR) core. The model, which incorporates the essential features of neutron kinetics, and single-phase and two-phase thermal-hydraulics, leads to simple dynamical system comprised of a set of nonlinear ordinary differential equations (ODEs). The stability boundary is determined and plotted in the inlet-subcooling-number (enthalpy)/external-reactivity operating parameter plane. The eigenvalues of the Jacobian matrix of the dynamical system also are calculated at various steady-states (fixed points); the results are consistent with those of the direct stability analysis and indicate that a Hopf bifurcationmore » occurs as the stability boundary in the operating parameter plane is crossed. Numerical simulations of the time-dependent, nonlinear ODEs are carried out for selected points in the operating parameter plane to obtain the actual damped and growing oscillations in the neutron number density, the channel inlet flow velocity, and the other phase variables. These indicate that the Hopf bifurcation is subcritical, hence, density wave oscillations with growing amplitude could result from a finite perturbation of the system even where the steady-state is stable. The power-flow map, frequently used by reactor operators during start-up and shut-down operation of a BWR, is mapped to the inlet-subcooling-number/neutron-density (operating-parameter/phase-variable) plane, and then related to the stability boundaries for different fixed inlet velocities corresponding to selected points on the flow-control line. The stability boundaries for different fixed inlet subcooling numbers corresponding to those selected points, are plotted in the neutron-density/inlet-velocity phase variable plane and then the points on the flow-control line are related to their respective stability boundaries in this plane.« less

High-pressure phase relations and thermodynamic properties of CaAl 4Si 2O 11 CAS phase

NASA Astrophysics Data System (ADS)

Akaogi, M.; Haraguchi, M.; Yaguchi, M.; Kojitani, H.

2009-03-01

Phase relations in CaAl4Si2O11 were examined at 12-23 GPa and 1000-1800 °C by multianvil experiments. A three-phase mixture of grossular, kyanite and corundum is stable below about 13 GPa at 1000-1800 °C. At higher pressure and at temperature below about 1200 °C, a mixture of grossular, stishovite and corundum is stable, indicating the decomposition of kyanite. Above about 1200 °C, CaAl4Si2O11 CAS phase is stable at pressure higher than about 13 GPa. The triple point is placed at 14.7 GPa and 1280 °C. The equilibrium boundary of formation of CAS phase from the mixture of grossular, kyanite and corundum has a small negative slope, and that from the mixture of grossular, stishovite and corundum has a strongly negative slope, while the decomposition boundary of kyanite has a small positive slope. Enthalpies of the transitions were measured by high-temperature drop-solution calorimetry. The enthalpy of formation of CaAl4Si2O11 CAS phase from the mixture of grossular, kyanite and corundum was 139.5 ± 15.6 kJ/mol, and that from the mixture of grossular, stishovite and corundum was 94.2 ± 15.4 kJ/mol. The transition boundaries calculated using the measured enthalpy data were consistent with those determined by the high-pressure experiments. The boundaries in this study are placed about 3 GPa higher in pressure and about 200 °C lower in temperature than those by Zhai and Ito [Zhai, S., Ito, E., 2008. Phase relations of CaAl4Si2O11 at high-pressure and high-temperature with implications for subducted continental crust into the deep mantle. Phys. Earth Planet. Inter. 167, 161-167]. Combining the thermodynamic data measured in this study with those in the literature, dissociation boundary of CAS phase into a mixture of Ca-perovskite, corundum and stishovite and that of grossular into Ca-perovskite plus corundum were calculated to further constrain the stability field of CAS phase. The result suggests that the stability of CAS phase would be limited at the bottom of transition zone and top of the lower mantle, when sediments are subducted into the deep mantle. It is also suggested that CAS phase may be stable at the depth of the upper part of the lower mantle, when partial melting of basalt occurs at the depth.

An equivalent dipole analysis of PZT ceramics and lead-free piezoelectric single crystals

NASA Astrophysics Data System (ADS)

Bell, Andrew J.

2016-04-01

The recently proposed Equivalent Dipole Model for describing the electromechanical properties of ionic solids in terms of 3 ions and 2 bonds has been applied to PZT ceramics and lead-free single crystal piezoelectric materials, providing analysis in terms of an effective ionic charge and the asymmetry of the interatomic force constants. For PZT it is shown that, as a function of composition across the morphotropic phase boundary, the dominant bond compliance peaks at 52% ZrO2. The stiffer of the two bonds shows little composition dependence with no anomaly at the phase boundary. The effective charge has a maximum value at 50% ZrO2, decreasing across the phase boundary region, but becoming constant in the rhombohedral phase. The single crystals confirm that both the asymmetry in the force constants and the magnitude of effective charge are equally important in determining the values of the piezoelectric charge coefficient and the electromechanical coupling coefficient. Both are apparently temperature dependent, increasing markedly on approaching the Curie temperature.

Roles of strain and domain boundaries on the phase transition stability of VO2 thin films

NASA Astrophysics Data System (ADS)

Jian, Jie; Chen, Aiping; Chen, Youxing; Zhang, Xinghang; Wang, Haiyan

2017-10-01

The fundamental phase transition mechanism and the stability of the semiconductor-to-metal phase transition properties during multiple thermal cycles have been investigated on epitaxial vanadium dioxide (VO2) thin films via both ex situ heating and in situ heating by transmission electron microscopy (TEM). VO2 thin films were deposited on c-cut sapphire substrates by pulsed laser deposition. Ex situ studies show the broadening of transition sharpness (ΔT) and the width of thermal hysteresis (ΔH) after 60 cycles. In situ TEM heating studies reveal that during thermal cycles, large strain was accumulated around the domain boundaries, which was correlated with the phase transition induced lattice constant change and the thermal expansion. It suggests that the degradation of domain boundary structures in the VO2 films not only caused the transition property reduction (e.g., the decrease in ΔT and ΔH) but also played an important role in preventing the film from fracture during thermal cycles.

High-temperature phase relations and thermodynamics in the iron-lead-sulfur system

NASA Astrophysics Data System (ADS)

Eric, R. Hurman; Ozok, Hakan

1994-01-01

The PbS activities in FeS-PbS liquid mattes were obtained at 1100 °C and 1200 °C by the dew-point method. Negative deviations were observed, and the liquid-matte solutions were modeled by the Krupkowski formalism. The liquid boundaries of the FeS-PbS phase diagram were derived from the model equations yielding a eutectic temperature of 842 °C at X Pbs = 0.46. A phase diagram of the pseudobinary FeS-PbS was also verified experimentally by quenching samples equilibrated in evacuated and sealed silica capsules. No terminal solid solution ranges could be found. Within the Fe-Pb-S ternary system, the boundaries of the immiscibility region together with the tie-line distributions were established at 1200 °C. Activities of Pb were measured by the dew-point technique along the metal-rich boundary of the miscibility gap. Activities of Fe, Pb, and S, along the miscibility gap were also calculated by utilizing the bounding binary thermodynamics, phase equilibria, and tie-lines.

Strain-Driven Nanoscale Phase Competition near the Antipolar-Nonpolar Phase Boundary in Bi0.7La0.3FeO3 Thin Films.

PubMed

Dedon, Liv R; Chen, Zuhuang; Gao, Ran; Qi, Yajun; Arenholz, Elke; Martin, Lane W

2018-05-02

Complex-oxide materials tuned to be near phase boundaries via chemistry/composition, temperature, pressure, etc. are known to exhibit large susceptibilities. Here, we observe a strain-driven nanoscale phase competition in epitaxially constrained Bi 0.7 La 0.3 FeO 3 thin films near the antipolar-nonpolar phase boundary and explore the evolution of the structural, dielectric, (anti)ferroelectric, and magnetic properties with strain. We find that compressive and tensile strains can stabilize an antipolar PbZrO 3 -like Pbam phase and a nonpolar Pnma orthorhombic phase, respectively. Heterostructures grown with little to no strain exhibit a self-assembled nanoscale mixture of the two orthorhombic phases, wherein the relative fraction of each phase can be modified with film thickness. Subsequent investigation of the dielectric and (anti)ferroelectric properties reveals an electric-field-driven phase transformation from the nonpolar phase to the antipolar phase. X-ray linear dichroism reveals that the antiferromagnetic-spin axes can be effectively modified by the strain-induced phase transition. This evolution of antiferromagnetic-spin axes can be leveraged in exchange coupling between the antiferromagnetic Bi 0.7 La 0.3 FeO 3 and a ferromagnetic Co 0.9 Fe 0.1 layer to tune the ferromagnetic easy axis of the Co 0.9 Fe 0.1 . These results demonstrate that besides chemical alloying, epitaxial strain is an alternative and effective way to modify subtle phase relations and tune physical properties in rare earth-alloyed BiFeO 3 . Furthermore, the observation of antiferroelectric-antiferromagnetic properties in the Pbam Bi 0.7 La 0.3 FeO 3 phase could be of significant scientific interest and great potential in magnetoelectric devices because of its dual antiferroic nature.

The Formation of Boundary Clinopyroxenes and Associated Glass Veins in Type B1 CAIs

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

Paque, J M; Beckett, J R; Ishii, H A

2008-05-18

We used focused ion beam thin section preparation and scanning transmission electron microscopy (FIB/STEM) to examine the interfacial region between spinel and host melilite for three spinel grains, two from the mantle and one from the core of an Allende type B1 inclusion, and a second pair of spinel grains from a type B1 inclusion from the Leoville carbonaceous chondrite. The compositions of boundary clinopyroxenes decorating spinel surfaces are generally consistent with those of coarser clinopyroxenes from the same region of the inclusion, suggesting little movement of spinels between mantle and core regions after the formation of boundary clinopyroxenes. Themore » host melilite displays no anomalous compositions near the interface, and anorthite or other late-stage minerals are not observed, suggesting that crystallization of residual liquid was not responsible for the formation of boundary clinopyroxenes. Allende spinels display either direct spinel-melilite contact or an intervening boundary clinopyroxene between the two phases. In the core, boundary clinopyroxene is mantled by a thin (1-2 {micro}m thick) layer of normally zoned (X{sub Ak} increasing away from the melilite-clinopyroxene contact) melilite with X{sub Ak} matching that of the host melilite at the melilite-melilite contact. In the mantle, X{sub Ak} near boundary spinels is constant. Spinels in a Leoville type B1 inclusion are more complex with boundary clinopyroxene, as observed in Allende, but also variable amounts of glass ({approx}1 {micro}m width), secondary calcite, perovskite, and an unknown Mg-, Al-, OH-rich and Ca-, Si-poor crystalline phase that may be a layered double hydrate. Glass compositions are consistent to first order with a precursor consisting mostly of Mg-carpholite or sudoite with some aluminous diopside. One possible scenario of formation for the glass veins is that open system alteration of melilite produced a porous, hydrated aggregate of Mg-carpholite or sudoite + aluminous diopside that was shock melted and quenched to a glass. The unknown crystalline phase may be a shocked remnant of the precursor phase assemblage but is more likely to have formed later by alteration of the glass. Calcite appears to be an opportunistic fracture filling that postdated all major shock events. Boundary clinopyroxenes probably share a common origin with coarser-grained pyroxenes from the same region of the inclusion. In the mantle, these crystals may represent clinopyroxene crystallized in Ti-rich liquids caused by the direct dissolution of perovskite and an associated Sc-Zr-rich phase or as a reaction product between dissolving perovskite and liquid (i.e., indirect dissolution of perovskite). In the core, any perovskite and associated Ti-enriched liquids that may have originally been present disappeared before the growth of boundary clinopyroxene.« less

A Cosserat crystal plasticity and phase field theory for grain boundary migration

NASA Astrophysics Data System (ADS)

Ask, Anna; Forest, Samuel; Appolaire, Benoit; Ammar, Kais; Salman, Oguz Umut

2018-06-01

The microstructure evolution due to thermomechanical treatment of metals can largely be described by viscoplastic deformation, nucleation and grain growth. These processes take place over different length and time scales which present significant challenges when formulating simulation models. In particular, no overall unified field framework exists to model concurrent viscoplastic deformation and recrystallization and grain growth in metal polycrystals. In this work a thermodynamically consistent diffuse interface framework incorporating crystal viscoplasticity and grain boundary migration is elaborated. The Kobayashi-Warren-Carter (KWC) phase field model is extended to incorporate the full mechanical coupling with material and lattice rotations and evolution of dislocation densities. The Cosserat crystal plasticity theory is shown to be the appropriate framework to formulate the coupling between phase field and mechanics with proper distinction between bulk and grain boundary behaviour.

Effect of grain-boundary crystallization on the high-temperature strength of silicon nitride

NASA Technical Reports Server (NTRS)

Pierce, L. A.; Mieskowski, D. M.; Sanders, W. A.

1986-01-01

Si3N4 specimens having the composition 88.7 wt pct Si3N4-4.9 wt pct SiO2-6.4 wt pct Y2O3 were sintered at 2140 C under 25 atm N2 for 1 h and then subjected to a 5 h anneal at 1500 C. Crystallization of an amorphous grain-boundary phase resulted in the formation of Y2Si2O7. The short-time 1370 C strength of this material was compared with that of material of the same composition having no annealing treatment. No change in strength was noted. This is attributed to the refractory nature of the yttrium-rich grain-boundary phase (apparently identical in both glassy and crystalline phases) and the subsequent domination of the failure process by common processing flaws.

HELP - A Multimaterial Eulerian Program in Two Space Dimensions and Time

DTIC Science & Technology

1976-04-01

ASSUMPTIONS 3-1 3.2 STRENGTH PHASE (SPHASE) 3-1 3.2.1 Definition of Strain Rate Derivatives for Cells at a Grid Boundary 3-3 3.2.2 Definition...of Interpolated Strain Rates and Stresses for Cells at a Grid Boundary 3-4 3.2.3 Definition of Velocities and Deviator Stresses at Grid Boundaries...Grid Boundaries 3-9 3.4.2 Change of Momentum for Cells at Reflective Grid Boundaries in TPHASE.. 3-10 3.4.3 Correction to Theoretical Energy for

Tidal estimation in the Atlantic and Indian Oceans, 3 deg x 3 deg solution

NASA Technical Reports Server (NTRS)

Sanchez, Braulio V.; Rao, Desiraju B.; Steenrod, Stephen D.

1987-01-01

An estimation technique was developed to extrapolate tidal amplitudes and phases over entire ocean basins using existing gauge data and the altimetric measurements provided by satellite oceanography. The technique was previously tested. Some results obtained by using a 3 deg by 3 deg grid are presented. The functions used in the interpolation are the eigenfunctions of the velocity (Proudman functions) which are computed numerically from a knowledge of the basin's bottom topography, the horizontal plan form and the necessary boundary conditions. These functions are characteristic of the particular basin. The gravitational normal modes of the basin are computed as part of the investigation; they are used to obtain the theoretical forced solutions for the tidal constituents. The latter can provide the simulated data for the testing of the method and serve as a guide in choosing the most energetic functions for the interpolation.

Modeling uptake of hydrophobic organic contaminants into polyethylene passive samplers.

PubMed

Thompson, Jay M; Hsieh, Ching-Hong; Luthy, Richard G

2015-02-17

Single-phase passive samplers are gaining acceptance as a method to measure hydrophobic organic contaminant (HOC) concentration in water. Although the relationship between the HOC concentration in water and passive sampler is linear at equilibrium, mass transfer models are needed for nonequilibrium conditions. We report measurements of organochlorine pesticide diffusion and partition coefficients with respect to polyethylene (PE), and present a Fickian approach to modeling HOC uptake by PE in aqueous systems. The model is an analytic solution to Fick's second law applied through an aqueous diffusive boundary layer and a polyethylene layer. Comparisons of the model with existing methods indicate agreement at appropriate boundary conditions. Laboratory release experiments on the organochlorine pesticides DDT, DDE, DDD, and chlordane in well-mixed slurries support the model's applicability to aqueous systems. In general, the advantage of the model is its application in the cases of well-agitated systems, low values of polyethylene-water partioning coefficients, thick polyethylene relative to the boundary layer thickness, and/or short exposure times. Another significant advantage is the ability to estimate, or at least bound, the needed exposure time to reach a desired CPE without empirical model inputs. A further finding of this work is that polyethylene diffusivity does not vary by transport direction through the sampler thickness.

Central Atlantic Lithosphere-Asthenosphere Boundary Study (CAL-LAB): Massive Coast effects in MT data

NASA Astrophysics Data System (ADS)

Reyes Ortega, V.; Constable, S.; Bassett, D.

2017-12-01

The Lithosphere-Asthenosphere Boundary (LAB) is the largest plate boundary on Earth yet is still poorly understood, with temperature, hydration, composition, melting, strain rate, and anisotropy all candidates to explain the location and behavior of this transition from convecting asthenosphere to rigid lithosphere. Electrical conductivity, estimated from magnetotelluric (MT) data and combined with seismic measurements, is increasingly being seen as a way to improve our understanding of the LAB. The Integrated LAB (iLAB) experiment brings together three institutions from three countries to collect MT data along with passive and active seismic data in the central equatorial Atlantic, over lithosphere from 0 to 80 My old. Thirty-nine seafloor MT instruments were deployed alongside ocean-bottom seismometers for over one year, and recorded data for 70 to 100 days before the batteries expired. Good quality MT responses were obtained from 10 to nearly 100,000 seconds period, but many sites exhibited up to -180 degree phase shifts at the highest frequencies. Forward modeling shows that this behavior is consistent with a coast effect from the African coastline 500-1500 kilometers away. The conductive mid-ocean ridge system modifies the coast effect for sites west of the ridge. Inverting these data for LAB geology in the presence of such a strong coast effect presents a considerable challenge.

Coherence of simulated atmospheric boundary-layer turbulence

NASA Astrophysics Data System (ADS)

Jiadong, Zeng; Zhiguo, Li; Mingshui, Li

2017-12-01

The coherences in a plane perpendicular to incoming flow are measured in wind tunnel simulations of atmospheric turbulent flow. The measured coherences are compared with analytical expressions tailored to field measurements and with theoretical coherence models which assume homogeneous turbulence and the von Kármán’s spectrum. The comparison indicates that the simulated atmospheric boundary layer flow is approximately horizontally homogeneous turbulence. Based on the above assumption and the systematic analysis of lateral coherence, it can be concluded that the lateral coherences of simulated atmospheric boundary turbulence can be determined accurately using the von Kármán spectrum and the turbulence parameters measured by a few measurement points. The measured results also show that the spatial characteristics of vertical coherences are closely related to the dimensionless parameter {{Δ }}z/({\\bar{z}}0.3{L}ux 0.7). The vertical coherence at two heights can be roughly estimated by the ratio to {{Δ }}z/({\\bar{z}}0.3{L}ux 0.7). The relationship between the phase angles of u-, v- and w-components and the vertical separation distance and the height from the ground is further analyzed. Finally, the roles of the type of land surface roughness, the height from the ground, the turbulence intensity and the integral length scale in lateral and vertical coherences are also discussed in this study.

Changes in CO2 during Ocean Anoxic Event 1d indicate similarities to other carbon cycle perturbations

NASA Astrophysics Data System (ADS)

Richey, Jon D.; Upchurch, Garland R.; Montañez, Isabel P.; Lomax, Barry H.; Suarez, Marina B.; Crout, Neil M. J.; Joeckel, R. M.; Ludvigson, Greg A.; Smith, Jon J.

2018-06-01

Past greenhouse intervals of the Mesozoic were repeatedly punctuated by Ocean Anoxic Events (OAEs), major perturbations to the global carbon cycle and abrupt climate changes that may serve as relevant analogs for Earth's greenhouse gas-forced climate future. The key to better understanding these transient climate disruptions and possible CO2-forced tipping-points resides in high-resolution, precise, and accurate estimates of atmospheric CO2 for individual OAEs. Here we present a high-temporal resolution, multi-proxy pCO2 reconstruction for the onset of mid-Cretaceous (Albian-Cenomanian Boundary) OAE1d. Coupling of pCO2 estimates with carbon isotopic compositions (δ13C) of charcoal, vitrain, and cuticle from the Rose Creek Pit (RCP), Nebraska, reveals complex phasing, including a lag between the well-documented negative δ13C excursion defining the onset of OAE1d and the CO2 increase. This lag indicates that increased CO2 or other C-based greenhouse gases may not have been the primary cause of the negative excursion. Our study reveals a pCO2 increase within the interval of the negative δ13C excursion, reaching a maximum of up to ∼840 ppm (95% confidence interval -307 ppm/+167 ppm) toward its end. The reconstructed magnitude of CO2 increase (∼357 ppm) is similar to that of Late Cretaceous OAE2 but of smaller magnitude than that of other major carbon cycle perturbations of the Mesozoic assessed via stomatal methods (e.g., the Toarcian OAE [TOAE], Triassic-Jurassic boundary event, Cretaceous-Paleogene Boundary event). Furthermore, our results indicate a possible shared causal or developmental mechanism with OAE1a and the TOAE.

A New Boundary for the High Plains - Ogallala Aquifer Complex

NASA Astrophysics Data System (ADS)

Haacker, E. M.; Nozari, S.; Kendall, A. D.

2017-12-01

In the semi-arid Great Plains, water is the key ingredient for crop growth: the difference between meager yields for many crops and an agricultural bonanza. The High Plains-Ogallala Aquifer complex (HPA) underlies 452,000 square kilometers of the region, and over 95% of water withdrawn from the aquifer is used for irrigation. Much of the HPA is being pumped unsustainably, and since the region is heavily reliant on this resource for its social and economic health, the High Plains has been a leader in groundwater management planning. However, the geographic boundary of the High Plains region fails to reflect the hydrogeological realities of the aquifer. The current boundary, recognizable from countless textbooks and news articles, is only slightly modified from a version from the 1980's, and largely follows the physiographic borders of the High Plains - defined by surface features such as escarpments and rivers - rather than the edges of water-bearing sediment sufficient for high-volume pumping. This is supported by three lines of evidence: hydrogeological observations from the original aquifer boundary determination; the extent of irrigated land, as estimated by MODIS-MIrAD data; and statistical estimates of saturated thickness, incorporating improved maps of the aquifer base and an additional 35 years of water table measurements. In this project, new maps of saturated thickness are used to create an updated aquifer boundary, which conforms with the standard definition of an aquifer as a package of sediment that yields enough water to be economically pumped. This has major implications for social and physical models, as well as water planning and estimates of sustainability for the HPA. Much of the area of the HPA that has been labeled `sustainable' based upon estimates of recharge relative to pumping estimates falls outside the updated aquifer boundary. In reality, the sustainably-pumped area of this updated aquifer boundary is far smaller—a fact that if more widely understood could help drive further regulatory action in this critical water resource region.

The Pliocene Model Intercomparison Project (PlioMIP) Phase 2: scientific objectives and experimental design

NASA Astrophysics Data System (ADS)

Haywood, Alan M.; Dowsett, Harry J.; Dolan, Aisling M.; Rowley, David; Abe-Ouchi, Ayako; Otto-Bliesner, Bette; Chandler, Mark A.; Hunter, Stephen J.; Lunt, Daniel J.; Pound, Matthew; Salzmann, Ulrich

2016-03-01

The Pliocene Model Intercomparison Project (PlioMIP) is a co-ordinated international climate modelling initiative to study and understand climate and environments of the Late Pliocene, as well as their potential relevance in the context of future climate change. PlioMIP examines the consistency of model predictions in simulating Pliocene climate and their ability to reproduce climate signals preserved by geological climate archives. Here we provide a description of the aim and objectives of the next phase of the model intercomparison project (PlioMIP Phase 2), and we present the experimental design and boundary conditions that will be utilized for climate model experiments in Phase 2. Following on from PlioMIP Phase 1, Phase 2 will continue to be a mechanism for sampling structural uncertainty within climate models. However, Phase 1 demonstrated the requirement to better understand boundary condition uncertainties as well as uncertainty in the methodologies used for data-model comparison. Therefore, our strategy for Phase 2 is to utilize state-of-the-art boundary conditions that have emerged over the last 5 years. These include a new palaeogeographic reconstruction, detailing ocean bathymetry and land-ice surface topography. The ice surface topography is built upon the lessons learned from offline ice sheet modelling studies. Land surface cover has been enhanced by recent additions of Pliocene soils and lakes. Atmospheric reconstructions of palaeo-CO2 are emerging on orbital timescales, and these are also incorporated into PlioMIP Phase 2. New records of surface and sea surface temperature change are being produced that will be more temporally consistent with the boundary conditions and forcings used within models. Finally we have designed a suite of prioritized experiments that tackle issues surrounding the basic understanding of the Pliocene and its relevance in the context of future climate change in a discrete way.

The Pliocene Model Intercomparison Project (PlioMIP) Phase 2: Scientific Objectives and Experimental Design

NASA Technical Reports Server (NTRS)

Haywood, Alan M.; Dowsett, Harry J.; Dolan, Aisling M.; Rowley, David; Abe-Ouchi, Ayako; Otto-Bliesner, Bette; Chandler, Mark A.; Hunter, Stephen J.; Lunt, Daniel J.; Pound, Matthew;

Acta Aeronautica et Astronautica Sinica.

DTIC Science & Technology

1987-04-07

quantity of cocrystallized 7’-phase will be formed between the crystal boundaries and crystalline 97 branches; therefore the status of grain boundaries... cocrystallized Y’-phase under the high temperature stress [4]. In order to balance the medium and high temperature properties, the concentration of Hf in...will become large. 3. The influence of heat treatment. In the microscopic structures of DZ-22 alloy, there are 13 vol.% cocrystal ?’- and many large

Advanced Gradient Heating Facility (AGHF)

NASA Technical Reports Server (NTRS)

1998-01-01

This section of the publication includes papers entitled: (1) Coupled growth in hypermonotectics; (2) Directional solidification of refined Al-4 wt.% Cu alloys; (3) Effects of convection on interface curvature during growth of concentrated ternary compounds; (4) Directional solidification of Al-1.5 wt.% Ni alloys; (5) Interactive response of advancing phase boundaries to particles; (6) INTeractive Response of Advancing Phase boundaries to Particles-INTRAPP; and (7) Particle engulfment and pushing by solidifying interfaces.

Imaging the Hydrogen Absorption Dynamics of Individual Grains in Polycrystalline Palladium Thin Films in 3D

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

Yau, Allison; Harder, Ross J.; Kanan, Matthew W.

Defects such as dislocations and grain boundaries often control the properties of polycrystalline materials. In nanocrystalline materials, investigating this structure-function relationship while preserving the sample remains challenging because of the short length scales and buried interfaces involved. Here we use Bragg coherent diffractive imaging to investigate the role of structural inhomogeneity on the hydriding phase transformation dynamics of individual Pd grains in polycrystalline films in three-dimensional detail. In contrast to previous reports on single- and polycrystalline nanoparticles, we observe no evidence of a hydrogen-rich surface layer and consequently no size dependence in the hydriding phase transformation pressure over a 125-325more » nm size range. We do observe interesting grain boundary dynamics, including reversible rotations of grain lattices while the material remains in the hydrogen-poor phase. The mobility of the grain boundaries, combined with the lack of a hydrogen-rich surface layer, suggests that the grain boundaries are acting as fast diffusion sites for the hydrogen atoms. Such hydrogen-enhanced plasticity in the hydrogen poor phase provides insight into the switch from the size-dependent behavior of single-crystal nanoparticles to the lower transformation pressures of polycrystalline materials and may play a role in hydrogen embrittlement.« less

Critical decay exponent of the pair contact process with diffusion

NASA Astrophysics Data System (ADS)

Park, Su-Chan

2014-11-01

We investigate the one-dimensional pair contact process with diffusion (PCPD) by extensive Monte Carlo simulations, mainly focusing on the critical density decay exponent δ . To obtain an accurate estimate of δ , we first find the strength of corrections to scaling using the recently introduced method [S.-C. Park. J. Korean Phys. Soc. 62, 469 (2013), 10.3938/jkps.62.469]. For small diffusion rate (d ≤0.5 ), the leading corrections-to-scaling term is found to be ˜t-0.15, whereas for large diffusion rate (d =0.95 ) it is found to be ˜t-0.5. After finding the strength of corrections to scaling, effective exponents are systematically analyzed to conclude that the value of critical decay exponent δ is 0.173 (3 ) irrespective of d . This value should be compared with the critical decay exponent of the directed percolation, 0.1595. In addition, we study two types of crossover. At d =0 , the phase boundary is discontinuous and the crossover from the pair contact process to the PCPD is found to be described by the crossover exponent ϕ =2.6 (1 ) . We claim that the discontinuity of the phase boundary cannot be consistent with the theoretical argument supporting the hypothesis that the PCPD should belong to the DP. At d =1 , the crossover from the mean field PCPD to the PCPD is described by ϕ =2 which is argued to be exact.

Unusual continuous dual absorption peaks in Ca-doped BiFeO3 nanostructures for broadened microwave absorption

NASA Astrophysics Data System (ADS)

Li, Zhong-Jun; Hou, Zhi-Ling; Song, Wei-Li; Liu, Xing-Da; Cao, Wen-Qiang; Shao, Xiao-Hong; Cao, Mao-Sheng

2016-05-01

Electromagnetic absorption materials have received increasing attention owing to their wide applications in aerospace, communication and the electronics industry, and multiferroic materials with both polarization and magnetic properties are considered promising ceramics for microwave absorption application. However, the insufficient absorption intensity coupled with the narrow effective absorption bandwidth has limited the development of high-performance multiferroic materials for practical microwave absorption. To address such issues, in the present work, we utilize interfacial engineering in BiFeO3 nanoparticles via Ca doping, with the purpose of tailoring the phase boundary. Upon Ca-substitution, the co-existence of both R3c and P4mm phases has been confirmed to massively enhance both dielectric and magnetic properties via manipulating the phase boundary and the destruction of the spiral spin structure. Unlike the commonly reported magnetic/dielectric hybrid microwave absorption composites, Bi0.95Ca0.05FeO3 has been found to deliver unusual continuous dual absorption peaks at a small thickness (1.56 mm), which has remarkably broadened the effective absorption bandwidth (8.7-12.1 GHz). The fundamental mechanisms based on the phase boundary engineering have been discussed, suggesting a novel platform for designing advanced multiferroic materials with wide applications.Electromagnetic absorption materials have received increasing attention owing to their wide applications in aerospace, communication and the electronics industry, and multiferroic materials with both polarization and magnetic properties are considered promising ceramics for microwave absorption application. However, the insufficient absorption intensity coupled with the narrow effective absorption bandwidth has limited the development of high-performance multiferroic materials for practical microwave absorption. To address such issues, in the present work, we utilize interfacial engineering in BiFeO3 nanoparticles via Ca doping, with the purpose of tailoring the phase boundary. Upon Ca-substitution, the co-existence of both R3c and P4mm phases has been confirmed to massively enhance both dielectric and magnetic properties via manipulating the phase boundary and the destruction of the spiral spin structure. Unlike the commonly reported magnetic/dielectric hybrid microwave absorption composites, Bi0.95Ca0.05FeO3 has been found to deliver unusual continuous dual absorption peaks at a small thickness (1.56 mm), which has remarkably broadened the effective absorption bandwidth (8.7-12.1 GHz). The fundamental mechanisms based on the phase boundary engineering have been discussed, suggesting a novel platform for designing advanced multiferroic materials with wide applications. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr00223d

Cardiac motion correction based on partial angle reconstructed images in x-ray CT

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

Kim, Seungeon; Chang, Yongjin; Ra, Jong Beom, E-mail: jbra@kaist.ac.kr

2015-05-15

Purpose: Cardiac x-ray CT imaging is still challenging due to heart motion, which cannot be ignored even with the current rotation speed of the equipment. In response, many algorithms have been developed to compensate remaining motion artifacts by estimating the motion using projection data or reconstructed images. In these algorithms, accurate motion estimation is critical to the compensated image quality. In addition, since the scan range is directly related to the radiation dose, it is preferable to minimize the scan range in motion estimation. In this paper, the authors propose a novel motion estimation and compensation algorithm using a sinogrammore » with a rotation angle of less than 360°. The algorithm estimates the motion of the whole heart area using two opposite 3D partial angle reconstructed (PAR) images and compensates the motion in the reconstruction process. Methods: A CT system scans the thoracic area including the heart over an angular range of 180° + α + β, where α and β denote the detector fan angle and an additional partial angle, respectively. The obtained cone-beam projection data are converted into cone-parallel geometry via row-wise fan-to-parallel rebinning. Two conjugate 3D PAR images, whose center projection angles are separated by 180°, are then reconstructed with an angular range of β, which is considerably smaller than a short scan range of 180° + α. Although these images include limited view angle artifacts that disturb accurate motion estimation, they have considerably better temporal resolution than a short scan image. Hence, after preprocessing these artifacts, the authors estimate a motion model during a half rotation for a whole field of view via nonrigid registration between the images. Finally, motion-compensated image reconstruction is performed at a target phase by incorporating the estimated motion model. The target phase is selected as that corresponding to a view angle that is orthogonal to the center view angles of two conjugate PAR images. To evaluate the proposed algorithm, digital XCAT and physical dynamic cardiac phantom datasets are used. The XCAT phantom datasets were generated with heart rates of 70 and 100 bpm, respectively, by assuming a system rotation time of 300 ms. A physical dynamic cardiac phantom was scanned using a slowly rotating XCT system so that the effective heart rate will be 70 bpm for a system rotation speed of 300 ms. Results: In the XCAT phantom experiment, motion-compensated 3D images obtained from the proposed algorithm show coronary arteries with fewer motion artifacts for all phases. Moreover, object boundaries contaminated by motion are well restored. Even though object positions and boundary shapes are still somewhat different from the ground truth in some cases, the authors see that visibilities of coronary arteries are improved noticeably and motion artifacts are reduced considerably. The physical phantom study also shows that the visual quality of motion-compensated images is greatly improved. Conclusions: The authors propose a novel PAR image-based cardiac motion estimation and compensation algorithm. The algorithm requires an angular scan range of less than 360°. The excellent performance of the proposed algorithm is illustrated by using digital XCAT and physical dynamic cardiac phantom datasets.« less

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

Shassere, Benjamin; Yamamoto, Yukinori; Poplawsky, Jonathan

We have develooped a new Fe-Cr-Al (FCA) alloy system with good oxidation resistance and creep strength at high temperature. The alloy system is a candidate for use in future fossil-fueled power plants. The creep strength of these alloys at 973 K (700 °C) was found to be comparable with traditional 9 pct Cr ferritic–martensitic steels. A few FCA alloys with general composition of Fe-30Cr-3Al-.2Si-xNb (x = 0, 1, or 2) with a ferrite matrix and Fe 2Nb-type Laves precipitates were prepared. The detailed microstructural characterization of samples, before and after creep rupture testing, indicated precipitation of the Laves phase withinmore » the matrix, Laves phase at the grain boundaries, and a 0.5 to 1.5 μm wide precipitate-free zone (PFZ) parallel to all the grain boundaries. In these alloys, the areal fraction of grain boundary Laves phase and the width of the PFZ controlled the cavitation nucleation and eventual grain boundary ductile failure. Finally, we used a phenomenological model to compare the creep strain rates controlled by the effects of the particles on the dislocations within the grain and at grain boundaries. (The research sponsored by US-DOE, Office of Fossil Energy, the Crosscutting Research Program).« less

Multi-phase-field modeling of anisotropic crack propagation for polycrystalline materials

NASA Astrophysics Data System (ADS)

Nguyen, Thanh-Tung; Réthoré, Julien; Yvonnet, Julien; Baietto, Marie-Christine

2017-08-01

A new multi-phase-field method is developed for modeling the fracture of polycrystals at the microstructural level. Inter and transgranular cracking, as well as anisotropic effects of both elasticity and preferential cleavage directions within each randomly oriented crystal are taken into account. For this purpose, the proposed phase field formulation includes: (a) a smeared description of grain boundaries as cohesive zones avoiding defining an additional phase for grains; (b) an anisotropic phase field model; (c) a multi-phase field formulation where each preferential cleavage direction is associated with a damage (phase field) variable. The obtained framework allows modeling interactions and competition between grains and grain boundary cracks, as well as their effects on the effective response of the material. The proposed model is illustrated through several numerical examples involving a full description of complex crack initiation and propagation within 2D and 3D models of polycrystals.

Strain and defect engineering on phase transition of monolayer black phosphorene

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

Chen, Yan; Shi, Xiaoyang; Li, Mingjia

Under biaxial strain, SW-2 defect can move inward the phase boundary of α-P and β-P remarkably and promote the phase transition from α-P to β-P, serving as an excellent ‘phase transition catalyzer’.

Strain and defect engineering on phase transition of monolayer black phosphorene

DOE PAGES

Chen, Yan; Shi, Xiaoyang; Li, Mingjia; ...

2018-01-01

Under biaxial strain, SW-2 defect can move inward the phase boundary of α-P and β-P remarkably and promote the phase transition from α-P to β-P, serving as an excellent ‘phase transition catalyzer’.

STEM and APT characterization of scale formation on a La,Hf,Ti-doped NiCrAl model alloy.

PubMed

Unocic, Kinga A; Chen, Yimeng; Shin, Dongwon; Pint, Bruce A; Marquis, Emmanuelle A

2018-06-01

A thermally grown scale formed on a cast NiCrAl model alloy doped with lanthanum, hafnium, and titanium was examined after isothermal exposure at 1100 °C for 100 h in dry flowing O 2 to understand the dopant segregation along scale grain boundaries. The complex scale formed on the alloy surface was composed of two types of substrates: phase-dependent, thin (<250 nm) outer layers and a columnar-grained ∼3.5 μm inner alumina layer. Two types of oxides formed between the inner and outer scale layers: small (3-15 nm) La 2 O 3 and larger (≤50 nm) HfO 2 oxide precipitates. Nonuniform distributions of the hafnium, lanthanum, and titanium dopants were observed along the inner scale grain boundaries, with hafnium dominating in most of the grain boundaries of α-Al 2 O 3. The concentration of reactive elements (RE) seemed to strongly depend on the grain boundary structure. The level of titanium grain boundary segregation in the inner scale decreased toward the model alloy (substrate), confirming the fast outward diffusion of titanium. Hafnium was also observed at the metal-scale interface and in the γ' (Ni 3 Al) phase of the alloy. High-resolution scanning transmission electron microscopy (STEM) confirmed the substitution of REs for aluminum atoms at the scale grain boundaries, consistent with both the semiconducting band structure and the site-blocking models. Both STEM and atom probe tomography allowed quantification of REs along the scale grain boundaries across the scale thickness. Analysis of the scale morphology after isothermal exposure in flowing oxygen revealed a myriad of new precipitate phases, RE segregation dependence on grain boundary type, and atomic arrangement along scale grain boundaries, which is expected to influence the scale growth rate, stability, and mechanical properties. Copyright © 2018 Elsevier Ltd. All rights reserved.

Fast left ventricle tracking in CMR images using localized anatomical affine optical flow

NASA Astrophysics Data System (ADS)

Queirós, Sandro; Vilaça, João. L.; Morais, Pedro; Fonseca, Jaime C.; D'hooge, Jan; Barbosa, Daniel

2015-03-01

In daily cardiology practice, assessment of left ventricular (LV) global function using non-invasive imaging remains central for the diagnosis and follow-up of patients with cardiovascular diseases. Despite the different methodologies currently accessible for LV segmentation in cardiac magnetic resonance (CMR) images, a fast and complete LV delineation is still limitedly available for routine use. In this study, a localized anatomically constrained affine optical flow method is proposed for fast and automatic LV tracking throughout the full cardiac cycle in short-axis CMR images. Starting from an automatically delineated LV in the end-diastolic frame, the endocardial and epicardial boundaries are propagated by estimating the motion between adjacent cardiac phases using optical flow. In order to reduce the computational burden, the motion is only estimated in an anatomical region of interest around the tracked boundaries and subsequently integrated into a local affine motion model. Such localized estimation enables to capture complex motion patterns, while still being spatially consistent. The method was validated on 45 CMR datasets taken from the 2009 MICCAI LV segmentation challenge. The proposed approach proved to be robust and efficient, with an average distance error of 2.1 mm and a correlation with reference ejection fraction of 0.98 (1.9 +/- 4.5%). Moreover, it showed to be fast, taking 5 seconds for the tracking of a full 4D dataset (30 ms per image). Overall, a novel fast, robust and accurate LV tracking methodology was proposed, enabling accurate assessment of relevant global function cardiac indices, such as volumes and ejection fraction

On High-Order Radiation Boundary Conditions

NASA Technical Reports Server (NTRS)

Hagstrom, Thomas

1995-01-01

In this paper we develop the theory of high-order radiation boundary conditions for wave propagation problems. In particular, we study the convergence of sequences of time-local approximate conditions to the exact boundary condition, and subsequently estimate the error in the solutions obtained using these approximations. We show that for finite times the Pade approximants proposed by Engquist and Majda lead to exponential convergence if the solution is smooth, but that good long-time error estimates cannot hold for spatially local conditions. Applications in fluid dynamics are also discussed.

Is Compton Cooling Sufficient to Explain Evolution of Observed Quasi-periodic Oscillations in Outburst Sources?

NASA Astrophysics Data System (ADS)

Mondal, Santanu; Chakrabarti, Sandip K.; Debnath, Dipak

2015-01-01

In outburst sources, quasi-periodic oscillation (QPO) frequency is known to evolve in a certain way: in the rising phase, it monotonically goes up until a soft intermediate state is achieved. In the propagating oscillatory shock model, oscillation of the Compton cloud is thought to cause QPOs. Thus, in order to increase QPO frequency, the Compton cloud must collapse steadily in the rising phase. In decline phases, the exact opposite should be true. We investigate cause of this evolution of the Compton cloud. The same viscosity parameter that increases the Keplerian disk rate also moves the inner edge of the Keplerian component, thereby reducing the size of the Compton cloud and reducing the cooling timescale. We show that cooling of the Compton cloud by inverse Comptonization is enough for it to collapse sufficiently so as to explain the QPO evolution. In the two-component advective flow configuration of Chakrabarti-Titarchuk, centrifugal force-induced shock represents the boundary of the Compton cloud. We take the rising phase of 2010 outburst of Galactic black hole candidate H 1743-322 and find an estimation of variation of the α parameter of the sub-Keplerian flow to be monotonically rising from 0.0001 to 0.02, well within the range suggested by magnetorotational instability. We also estimate the inward velocity of the Compton cloud to be a few meters per second, which is comparable to what is found in several earlier studies of our group by empirically fitting the shock locations with the time of observations.

Automatic bone outer contour extraction from B-modes ultrasound images based on local phase symmetry and quadratic polynomial fitting

NASA Astrophysics Data System (ADS)

Karlita, Tita; Yuniarno, Eko Mulyanto; Purnama, I. Ketut Eddy; Purnomo, Mauridhi Hery

2017-06-01

Analyzing ultrasound (US) images to get the shapes and structures of particular anatomical regions is an interesting field of study since US imaging is a non-invasive method to capture internal structures of a human body. However, bone segmentation of US images is still challenging because it is strongly influenced by speckle noises and it has poor image quality. This paper proposes a combination of local phase symmetry and quadratic polynomial fitting methods to extract bone outer contour (BOC) from two dimensional (2D) B-modes US image as initial steps of three-dimensional (3D) bone surface reconstruction. By using local phase symmetry, the bone is initially extracted from US images. BOC is then extracted by scanning one pixel on the bone boundary in each column of the US images using first phase features searching method. Quadratic polynomial fitting is utilized to refine and estimate the pixel location that fails to be detected during the extraction process. Hole filling method is then applied by utilize the polynomial coefficients to fill the gaps with new pixel. The proposed method is able to estimate the new pixel position and ensures smoothness and continuity of the contour path. Evaluations are done using cow and goat bones by comparing the resulted BOCs with the contours produced by manual segmentation and contours produced by canny edge detection. The evaluation shows that our proposed methods produces an excellent result with average MSE before and after hole filling at the value of 0.65.

Phase separation of comb polymer nanocomposite melts.

PubMed

Xu, Qinzhi; Feng, Yancong; Chen, Lan

2016-02-07

In this work, the spinodal phase demixing of branched comb polymer nanocomposite (PNC) melts is systematically investigated using the polymer reference interaction site model (PRISM) theory. To verify the reliability of the present method in characterizing the phase behavior of comb PNCs, the intermolecular correlation functions of the system for nonzero particle volume fractions are compared with our molecular dynamics simulation data. After verifying the model and discussing the structure of the comb PNCs in the dilute nanoparticle limit, the interference among the side chain number, side chain length, nanoparticle-monomer size ratio and attractive interactions between the comb polymer and nanoparticles in spinodal demixing curves is analyzed and discussed in detail. The results predict two kinds of distinct phase separation behaviors. One is called classic fluid phase boundary, which is mediated by the entropic depletion attraction and contact aggregation of nanoparticles at relatively low nanoparticle-monomer attraction strength. The second demixing transition occurs at relatively high attraction strength and involves the formation of an equilibrium physical network phase with local bridging of nanoparticles. The phase boundaries are found to be sensitive to the side chain number, side chain length, nanoparticle-monomer size ratio and attractive interactions. As the side chain length is fixed, the side chain number has a large effect on the phase behavior of comb PNCs; with increasing side chain number, the miscibility window first widens and then shrinks. When the side chain number is lower than a threshold value, the phase boundaries undergo a process from enlarging the miscibility window to narrowing as side chain length increases. Once the side chain number overtakes this threshold value, the phase boundary shifts towards less miscibility. With increasing nanoparticle-monomer size ratio, a crossover of particle size occurs, above which the phase separation is consistent with that of chain PNCs. The miscibility window for this condition gradually narrows while the other parameters of the PNCs system are held constant. These results indicate that the present PRISM theory can give molecular-level details of the underlying mechanisms of the comb PNCs. It is hoped that the results can be used to provide useful guidance for the future design control of novel, thermodynamically stable comb PNCs.

Impact of intercontinental pollution transport on North American ozone air pollution: an HTAP phase 2 multi-model study

NASA Astrophysics Data System (ADS)

Huang, Min; Carmichael, Gregory R.; Pierce, R. Bradley; Jo, Duseong S.; Park, Rokjin J.; Flemming, Johannes; Emmons, Louisa K.; Bowman, Kevin W.; Henze, Daven K.; Davila, Yanko; Sudo, Kengo; Eiof Jonson, Jan; Tronstad Lund, Marianne; Janssens-Maenhout, Greet; Dentener, Frank J.; Keating, Terry J.; Oetjen, Hilke; Payne, Vivienne H.

2017-05-01

The recent update on the US National Ambient Air Quality Standards (NAAQS) of the ground-level ozone (O3) can benefit from a better understanding of its source contributions in different US regions during recent years. In the Hemispheric Transport of Air Pollution experiment phase 1 (HTAP1), various global models were used to determine the O3 source-receptor (SR) relationships among three continents in the Northern Hemisphere in 2001. In support of the HTAP phase 2 (HTAP2) experiment that studies more recent years and involves higher-resolution global models and regional models' participation, we conduct a number of regional-scale Sulfur Transport and dEposition Model (STEM) air quality base and sensitivity simulations over North America during May-June 2010. STEM's top and lateral chemical boundary conditions were downscaled from three global chemical transport models' (i.e., GEOS-Chem, RAQMS, and ECMWF C-IFS) base and sensitivity simulations in which the East Asian (EAS) anthropogenic emissions were reduced by 20 %. The mean differences between STEM surface O3 sensitivities to the emission changes and its corresponding boundary condition model's are smaller than those among its boundary condition models, in terms of the regional/period-mean (< 10 %) and the spatial distributions. An additional STEM simulation was performed in which the boundary conditions were downscaled from a RAQMS (Realtime Air Quality Modeling System) simulation without EAS anthropogenic emissions. The scalability of O3 sensitivities to the size of the emission perturbation is spatially varying, and the full (i.e., based on a 100 % emission reduction) source contribution obtained from linearly scaling the North American mean O3 sensitivities to a 20 % reduction in the EAS anthropogenic emissions may be underestimated by at least 10 %. The three boundary condition models' mean O3 sensitivities to the 20 % EAS emission perturbations are ˜ 8 % (May-June 2010)/˜ 11 % (2010 annual) lower than those estimated by eight global models, and the multi-model ensemble estimates are higher than the HTAP1 reported 2001 conditions. GEOS-Chem sensitivities indicate that the EAS anthropogenic NOx emissions matter more than the other EAS O3 precursors to the North American O3, qualitatively consistent with previous adjoint sensitivity calculations. In addition to the analyses on large spatial-temporal scales relative to the HTAP1, we also show results on subcontinental and event scales that are more relevant to the US air quality management. The EAS pollution impacts are weaker during observed O3 exceedances than on all days in most US regions except over some high-terrain western US rural/remote areas. Satellite O3 (TES, JPL-IASI, and AIRS) and carbon monoxide (TES and AIRS) products, along with surface measurements and model calculations, show that during certain episodes stratospheric O3 intrusions and the transported EAS pollution influenced O3 in the western and the eastern US differently. Free-running (i.e., without chemical data assimilation) global models underpredicted the transported background O3 during these episodes, posing difficulties for STEM to accurately simulate the surface O3 and its source contribution. Although we effectively improved the modeled O3 by incorporating satellite O3 (OMI and MLS) and evaluated the quality of the HTAP2 emission inventory with the Royal Netherlands Meteorological Institute-Ozone Monitoring Instrument (KNMI-OMI) nitrogen dioxide, using observations to evaluate and improve O3 source attribution still remains to be further explored.

Impact of intercontinental pollution transport on North American ozone air pollution: an HTAP phase 2 multi-model study

PubMed Central

Huang, Min; Carmichael, Gregory R.; Pierce, R. Bradley; Jo, Duseong S.; Park, Rokjin J.; Flemming, Johannes; Emmons, Louisa K.; Bowman, Kevin W.; Henze, Daven K.; Davila, Yanko; Sudo, Kengo; Jonson, Jan Eiof; Lund, Marianne Tronstad; Janssens-Maenhout, Greet; Dentener, Frank J.; Keating, Terry J.; Oetjen, Hilke; Payne, Vivienne H.

2018-01-01

The recent update on the US National Ambient Air Quality Standards (NAAQS) of the ground-level ozone (O3/ can benefit from a better understanding of its source contributions in different US regions during recent years. In the Hemispheric Transport of Air Pollution experiment phase 1 (HTAP1), various global models were used to determine the O3 source–receptor (SR) relationships among three continents in the Northern Hemisphere in 2001. In support of the HTAP phase 2 (HTAP2) experiment that studies more recent years and involves higher-resolution global models and regional models’ participation, we conduct a number of regional-scale Sulfur Transport and dEposition Model (STEM) air quality base and sensitivity simulations over North America during May–June 2010. STEM’s top and lateral chemical boundary conditions were downscaled from three global chemical transport models’ (i.e., GEOS-Chem, RAQMS, and ECMWF C-IFS) base and sensitivity simulations in which the East Asian (EAS) anthropogenic emissions were reduced by 20 %. The mean differences between STEM surface O3 sensitivities to the emission changes and its corresponding boundary condition model’s are smaller than those among its boundary condition models, in terms of the regional/period-mean (<10 %) and the spatial distributions. An additional STEM simulation was performed in which the boundary conditions were downscaled from a RAQMS (Realtime Air Quality Modeling System) simulation without EAS anthropogenic emissions. The scalability of O3 sensitivities to the size of the emission perturbation is spatially varying, and the full (i.e., based on a 100% emission reduction) source contribution obtained from linearly scaling the North American mean O3 sensitivities to a 20% reduction in the EAS anthropogenic emissions may be underestimated by at least 10 %. The three boundary condition models’ mean O3 sensitivities to the 20% EAS emission perturbations are ~8% (May–June 2010)/~11% (2010 annual) lower than those estimated by eight global models, and the multi-model ensemble estimates are higher than the HTAP1 reported 2001 conditions. GEOS-Chem sensitivities indicate that the EAS anthropogenic NOx emissions matter more than the other EAS O3 precursors to the North American O3, qualitatively consistent with previous adjoint sensitivity calculations. In addition to the analyses on large spatial–temporal scales relative to the HTAP1, we also show results on subcontinental and event scales that are more relevant to the US air quality management. The EAS pollution impacts are weaker during observed O3 exceedances than on all days in most US regions except over some high-terrain western US rural/remote areas. Satellite O3 (TES, JPL–IASI, and AIRS) and carbon monoxide (TES and AIRS) products, along with surface measurements and model calculations, show that during certain episodes stratospheric O3 intrusions and the transported EAS pollution influenced O3 in the western and the eastern US differently. Free-running (i.e., without chemical data assimilation) global models underpredicted the transported background O3 during these episodes, posing difficulties for STEM to accurately simulate the surface O3 and its source contribution. Although we effectively improved the modeled O3 by incorporating satellite O3 (OMI and MLS) and evaluated the quality of the HTAP2 emission inventory with the Royal Netherlands Meteorological Institute–Ozone Monitoring Instrument (KNMI–OMI) nitrogen dioxide, using observations to evaluate and improve O3 source attribution still remains to be further explored. PMID:29780406

Impact of intercontinental pollution transport on North American ozone air pollution: an HTAP phase 2 multi-model study.

PubMed

Huang, Min; Carmichael, Gregory R; Pierce, R Bradley; Jo, Duseong S; Park, Rokjin J; Flemming, Johannes; Emmons, Louisa K; Bowman, Kevin W; Henze, Daven K; Davila, Yanko; Sudo, Kengo; Jonson, Jan Eiof; Lund, Marianne Tronstad; Janssens-Maenhout, Greet; Dentener, Frank J; Keating, Terry J; Oetjen, Hilke; Payne, Vivienne H

2017-05-08

The recent update on the US National Ambient Air Quality Standards (NAAQS) of the ground-level ozone (O 3 / can benefit from a better understanding of its source contributions in different US regions during recent years. In the Hemispheric Transport of Air Pollution experiment phase 1 (HTAP1), various global models were used to determine the O 3 source-receptor (SR) relationships among three continents in the Northern Hemisphere in 2001. In support of the HTAP phase 2 (HTAP2) experiment that studies more recent years and involves higher-resolution global models and regional models' participation, we conduct a number of regional-scale Sulfur Transport and dEposition Model (STEM) air quality base and sensitivity simulations over North America during May-June 2010. STEM's top and lateral chemical boundary conditions were downscaled from three global chemical transport models' (i.e., GEOS-Chem, RAQMS, and ECMWF C-IFS) base and sensitivity simulations in which the East Asian (EAS) anthropogenic emissions were reduced by 20 %. The mean differences between STEM surface O 3 sensitivities to the emission changes and its corresponding boundary condition model's are smaller than those among its boundary condition models, in terms of the regional/period-mean (<10 %) and the spatial distributions. An additional STEM simulation was performed in which the boundary conditions were downscaled from a RAQMS (Realtime Air Quality Modeling System) simulation without EAS anthropogenic emissions. The scalability of O 3 sensitivities to the size of the emission perturbation is spatially varying, and the full (i.e., based on a 100% emission reduction) source contribution obtained from linearly scaling the North American mean O 3 sensitivities to a 20% reduction in the EAS anthropogenic emissions may be underestimated by at least 10 %. The three boundary condition models' mean O 3 sensitivities to the 20% EAS emission perturbations are ~8% (May-June 2010)/~11% (2010 annual) lower than those estimated by eight global models, and the multi-model ensemble estimates are higher than the HTAP1 reported 2001 conditions. GEOS-Chem sensitivities indicate that the EAS anthropogenic NO x emissions matter more than the other EAS O 3 precursors to the North American O 3 , qualitatively consistent with previous adjoint sensitivity calculations. In addition to the analyses on large spatial-temporal scales relative to the HTAP1, we also show results on subcontinental and event scales that are more relevant to the US air quality management. The EAS pollution impacts are weaker during observed O 3 exceedances than on all days in most US regions except over some high-terrain western US rural/remote areas. Satellite O 3 (TES, JPL-IASI, and AIRS) and carbon monoxide (TES and AIRS) products, along with surface measurements and model calculations, show that during certain episodes stratospheric O 3 intrusions and the transported EAS pollution influenced O 3 in the western and the eastern US differently. Free-running (i.e., without chemical data assimilation) global models underpredicted the transported background O 3 during these episodes, posing difficulties for STEM to accurately simulate the surface O 3 and its source contribution. Although we effectively improved the modeled O 3 by incorporating satellite O 3 (OMI and MLS) and evaluated the quality of the HTAP2 emission inventory with the Royal Netherlands Meteorological Institute-Ozone Monitoring Instrument (KNMI-OMI) nitrogen dioxide, using observations to evaluate and improve O 3 source attribution still remains to be further explored.

A Hybrid Method for Endocardial Contour Extraction of Right Ventricle in 4-Slices from 3D Echocardiography Dataset.

PubMed

Dawood, Faten A; Rahmat, Rahmita W; Kadiman, Suhaini B; Abdullah, Lili N; Zamrin, Mohd D

2014-01-01

This paper presents a hybrid method to extract endocardial contour of the right ventricular (RV) in 4-slices from 3D echocardiography dataset. The overall framework comprises four processing phases. In Phase I, the region of interest (ROI) is identified by estimating the cavity boundary. Speckle noise reduction and contrast enhancement were implemented in Phase II as preprocessing tasks. In Phase III, the RV cavity region was segmented by generating intensity threshold which was used for once for all frames. Finally, Phase IV is proposed to extract the RV endocardial contour in a complete cardiac cycle using a combination of shape-based contour detection and improved radial search algorithm. The proposed method was applied to 16 datasets of 3D echocardiography encompassing the RV in long-axis view. The accuracy of experimental results obtained by the proposed method was evaluated qualitatively and quantitatively. It has been done by comparing the segmentation results of RV cavity based on endocardial contour extraction with the ground truth. The comparative analysis results show that the proposed method performs efficiently in all datasets with overall performance of 95% and the root mean square distances (RMSD) measure in terms of mean ± SD was found to be 2.21 ± 0.35 mm for RV endocardial contours.

Effects of Intergranular Gas Bubbles on Thermal Conductivity

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

K. Chockalingam; Paul C. Millett; M. R. Tonks

2012-11-01

Model microstructures obtained from phase-field simulations are used to study the effective heat transfer across bicrys- tals with stationary grain boundary bubble populations. We find that the grain boundary coverage, irrespective of the intergranular bubble radii, is the most relevant parameter to the thermal resistance, which we use to derive effec- tive Kapitza resistances that are dependent on the grain boundary coverage and Kaptiza resistance of the intact grain boundary. We propose a model to predict thermal conductivity as a function of porosity, grain-size, Kaptiza resistance of the intact grain boundary, and grain boundary bubble coverage.

Kinematics of the New Zealand plate boundary: Relative motion by GPS across networks of 1000 km and 50 km spacing

NASA Technical Reports Server (NTRS)

Meertens, Charles M.; Rocken, Christian; Perin, Barbara; Walcott, Richard

1993-01-01

The NASA/DOSE 'Kinematics of the New Zealand Plate Boundary' experiment is a four-year cooperative Global Positioning System (GPS) experiment involving 6 universities and institutions in New Zealand and the United States. The investigation covers two scales, the first on the scale of plates (approximately 1000 km) and the second is on the scale of the plate boundary zone (approximately 50 km). In the first portion of the experiment, phase A, the objective is to make direct measurements of tectonic plate motion between the Australian and Pacific plates using GPS in order to determine the Euler vector of this plate pair. The phase A portion of this experiment was initiated in December 1992 with the first-epoch baseline measurements on the large scale network. The network will be resurveyed two years later to obtain velocities. The stations which were observed for phase A are shown and listed. Additional regional stations which will be used for this study are listed and are part of either CIGNET or other global tracking networks. The phase A portion of the experiment is primarily the responsibility of the UNAVCO investigators. Therefore, this report concentrates on phase A. The first year of NASA funding for phase A included only support for the field work. Processing and analysis will take place with the second year of funding. The second part of the experiemnt measured relative motion between the Australian and Pacific plates across the pate boundary zone between Hokitika and Christchurch on the South Island of New Zealand. The extent and rate of deformation will be determined by comparisons with historical, conventional surveys and by repeated GPS measurements to be made in two years. This activity was the emphasis of the LDGO portion of the study. An ancillary experiment, phase C, concentrated on plate boundary deformation in the vicinity of Wellington and was done as part of training during the early portion of the field campaign. Details of the objectives of the field investigations are given in the appendix. An overview of the 1992 GPS field program is also given in the appendix.

Reduction of the allotropic transition temperature in nanocrystalline zirconium: Predicted by modified equation of state (MEOS) method and molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Salati, Amin; Mokhtari, Esmail; Panjepour, Masoud; Aryanpour, Gholamreza

2013-04-01

The temperature at which polymorphic phase transformation occurs in nanocrystalline (NC) materials is different from that of coarse-grained specimens. This anomaly has been related to the role of grain boundary component in these materials and can be predicted by a dilated crystal model. In this study, based on this model, a modified equation of state (MEOS) method (instead of equation of state, EOS, method) is used to calculate the total Gibbs free energy of each phase (β-Zr or α-Zr) in NC Zr. Thereupon, the change in the total Gibbs free energy for β-Zr to α-Zr phase transformation (ΔGβ→α) via the grain size is calculated by this method. Similar to polymorphic transformation in other NC materials (Fe, Nb, Co, TiO2, Al2O3 and ZnS), it is found that the estimated transformation temperature in NC Zr (β→α) is reduced with decreasing grain size. Finally, a molecular dynamics (MD) simulation is employed to confirm the theoretical results.

Strain-gradient-induced magnetic anisotropy in straight-stripe mixed-phase bismuth ferrites: Insight into flexomagnetism

NASA Astrophysics Data System (ADS)

Lee, Jin Hong; Kim, Kwang-Eun; Jang, Byung-Kweon; Ünal, Ahmet A.; Valencia, Sergio; Kronast, Florian; Ko, Kyung-Tae; Kowarik, Stefan; Seidel, Jan; Yang, Chan-Ho

2017-08-01

Implementation of antiferromagnetic compounds as active elements in spintronics has been hindered by their insensitive nature against external perturbations which causes difficulties in switching among different antiferromagnetic spin configurations. Electrically controllable strain gradient can become a key parameter to tune the antiferromagnetic states of multiferroic materials. We have discovered a correlation between an electrically written straight-stripe mixed-phase boundary and an in-plane antiferromagnetic spin axis in highly elongated La-5%-doped BiFe O3 thin films by performing polarization-dependent photoemission electron microscopy in conjunction with cluster model calculations. A model Hamiltonian calculation for the single-ion anisotropy including the spin-orbit interaction has been performed to figure out the physical origin of the link between the strain gradient present in the mixed-phase area and its antiferromagnetic spin axis. Our findings enable estimation of the strain-gradient-induced magnetic anisotropy energy per Fe ion at around 5 ×10-12eV m , and provide a pathway toward an electric-field-induced 90° rotation of antiferromagnetic spin axis at room temperature by flexomagnetism.

A source study of atmospheric polycyclic aromatic hydrocarbons in Shenzhen, South China.

PubMed

Liu, Guoqing; Tong, Yongpeng; Luong, John H T; Zhang, Hong; Sun, Huibin

2010-04-01

Air pollution has become a serious problem in the Pearl River Delta, South China, particularly in winter due to the local micrometeorology. In this study, atmospheric polycyclic aromatic hydrocarbons (PAHs) were monitored weekly in Shenzhen during the winter of 2006. Results indicated that the detected PAHs were mainly of vapor phase compounds with phenanthrene dominant. The average vapor phase and particle phase PAHs concentration in Shenzhen was 101.3 and 26.7 ng m( - 3), respectively. Meteorological conditions showed great effect on PAH concentrations. The higher PAHs concentrations observed during haze episode might result from the accumulation of pollutants under decreased boundary layer, slower wind speed, and long-term dryness conditions. The sources of PAHs in the air were estimated by principal component analysis in combination with diagnostic ratios. Vehicle exhaust was the major PAHs source in Shenzhen, accounting for 50.0% of the total PAHs emissions, whereas coal combustion and solid waste incineration contributed to 29.4% and 20.6% of the total PAHs concentration, respectively. The results clearly indicated that the increasing solid waste incinerators have become a new important PAHs source in this region.

Design of electromagnetic refractor and phase transformer using coordinate transformation theory.

PubMed

Lin, Lan; Wang, Wei; Cui, Jianhua; Du, Chunlei; Luo, Xiangang

2008-05-12

We designed an electromagnetic refractor and a phase transformer using form-invariant coordinate transformation of Maxwell's equations. The propagation direction of electromagnetic energy in these devices can be modulated as desired. Unlike the conventional dielectric refractor, electromagnetic fields at our refraction boundary do not conform to the Snell's law in isotropic materials and the impedance at this boundary is matched which makes the reflection extremely low; and the transformation of the wave front from cylindrical to plane can be realized in the phase transformer with a slab structure. Two dimensional finite-element simulations were performed to confirm the theoretical results.

Phase-field-crystal model for magnetocrystalline interactions in isotropic ferromagnetic solids

NASA Astrophysics Data System (ADS)

Faghihi, Niloufar; Provatas, Nikolas; Elder, K. R.; Grant, Martin; Karttunen, Mikko

2013-09-01

An isotropic magnetoelastic phase-field-crystal model to study the relation between morphological structure and magnetic properties of pure ferromagnetic solids is introduced. Analytic calculations in two dimensions were used to determine the phase diagram and obtain the relationship between elastic strains and magnetization. Time-dependent numerical simulations in two dimensions were used to demonstrate the effect of grain boundaries on the formation of magnetic domains. It was shown that the grain boundaries act as nucleating sites for domains of reverse magnetization. Finally, we derive a relation for coercivity versus grain misorientation in the isotropic limit.

Structure of interfaces at phase coexistence. Theory and numerics

NASA Astrophysics Data System (ADS)

Delfino, Gesualdo; Selke, Walter; Squarcini, Alessio

2018-05-01

We compare results of the exact field theory of phase separation in two dimensions with Monte Carlo simulations for the q-state Potts model with boundary conditions producing an interfacial region separating two pure phases. We confirm in particular the theoretical predictions that below critical temperature the surplus of non-boundary colors appears in drops along a single interface, while for q  >  4 at critical temperature there is formation of two interfaces enclosing a macroscopic disordered layer. These qualitatively different structures of the interfacial region can be discriminated through a measurement at a single point for different system sizes.

Melt-Vapor Phase Diagram of the Te-S System

NASA Astrophysics Data System (ADS)

Volodin, V. N.; Trebukhov, S. A.; Kenzhaliyev, B. K.; Nitsenko, A. V.; Burabaeva, N. M.

2018-03-01

The values of partial pressure of saturated vapor of the constituents of the Te-S system are determined from boiling points. The boundaries of the melt-vapor phase transition at atmospheric pressure and in vacuum of 2000 and 100 Pa are calculated on the basis of partial pressures. A phase diagram that includes vapor-liquid equilibrium fields whose boundaries allow us to assess the behavior of elements upon distillation fractioning is plotted. It is established that the separation of elements is possible at the first evaporation-condensation cycle. Complications can be caused by crystallization of a sulfur solid solution in tellurium.

The Effect of Map Boundary on Estimates of Landscape Resistance to Animal Movement

PubMed Central

Koen, Erin L.; Garroway, Colin J.; Wilson, Paul J.; Bowman, Jeff

2010-01-01

Background Artificial boundaries on a map occur when the map extent does not cover the entire area of study; edges on the map do not exist on the ground. These artificial boundaries might bias the results of animal dispersal models by creating artificial barriers to movement for model organisms where there are no barriers for real organisms. Here, we characterize the effects of artificial boundaries on calculations of landscape resistance to movement using circuit theory. We then propose and test a solution to artificially inflated resistance values whereby we place a buffer around the artificial boundary as a substitute for the true, but unknown, habitat. Methodology/Principal Findings We randomly assigned landscape resistance values to map cells in the buffer in proportion to their occurrence in the known map area. We used circuit theory to estimate landscape resistance to organism movement and gene flow, and compared the output across several scenarios: a habitat-quality map with artificial boundaries and no buffer, a map with a buffer composed of randomized habitat quality data, and a map with a buffer composed of the true habitat quality data. We tested the sensitivity of the randomized buffer to the possibility that the composition of the real but unknown buffer is biased toward high or low quality. We found that artificial boundaries result in an overestimate of landscape resistance. Conclusions/Significance Artificial map boundaries overestimate resistance values. We recommend the use of a buffer composed of randomized habitat data as a solution to this problem. We found that resistance estimated using the randomized buffer did not differ from estimates using the real data, even when the composition of the real data was varied. Our results may be relevant to those interested in employing Circuitscape software in landscape connectivity and landscape genetics studies. PMID:20668690

Estimation of coefficients and boundary parameters in hyperbolic systems

NASA Technical Reports Server (NTRS)

Banks, H. T.; Murphy, K. A.

1984-01-01

Semi-discrete Galerkin approximation schemes are considered in connection with inverse problems for the estimation of spatially varying coefficients and boundary condition parameters in second order hyperbolic systems typical of those arising in 1-D surface seismic problems. Spline based algorithms are proposed for which theoretical convergence results along with a representative sample of numerical findings are given.

Analysis of an unconfined aquifer subject to asynchronous dual-tide propagation

USGS Publications Warehouse

Rotzoll, K.; El-Kadi, A. I.; Gingerich, S.B.

2008-01-01

Most published solutions for aquifer responses to ocean tides focus on the one-sided attenuation of the signal as it propagates inland. However, island aquifers experience periodic forcing from the entire coast, which can lead to integrated effects of different tidal signals, especially on narrow high-permeability islands. In general, studies disregard a potential time lag as the tidal wave sweeps around the island. We present a one-dimensional analytical solution to the ground water flow equation subject to asynchronous and asymmetric oscillating head conditions on opposite boundaries and test it on data from an unconfined volcanic aquifer in Maui. The solution considers sediment-damping effects at the coastline. The response of Maui Aquifers indicate that water table elevations near the center of the aquifer are influenced by a combination of tides from opposite coasts. A better match between the observed ground water head and the theoretical response can be obtained with the proposed dual-tide solution than with single-sided solutions. Hydraulic diffusivity was estimated to be 2.3 ?? 107 m 2/d. This translates into a hydraulic conductivity of 500 m/d, assuming a specific yield of 0.04 and an aquifer thickness of 1.8 km. A numerical experiment confirmed the hydraulic diffusivity value and showed that the y-intercepts of the modal attenuation and phase differences estimated by regression can approximate damping factors caused by low-permeability units at the boundary.

High-temperature deformation and microstructural analysis for Si3N4-Sc2O3

NASA Technical Reports Server (NTRS)

Cheong, Deock-Soo; Sanders, William A.

1990-01-01

It was indicated that Si3N4 doped with Sc2O3 may exhibit high temperature mechanical properties superior to Si3N4 systems with various other oxide sintered additives. High temperature deformation of samples was studied by characterizing the microstructures before and after deformation. It was found that elements of the additive, such as Sc and O, exist in small amounts at very thin grain boundary layers and most of them stay in secondary phases at triple and multiple grain boundary junctions. These secondary phases are devitrified as crystalline Sc2Si2O7. Deformation of the samples was dominated by cavitational processes rather than movements of dislocations. Thus the excellent deformation resistance of the samples at high temperature can be attributed to the very small thickness of the grain boundary layers and the crystalline secondary phase.

High-temperature deformation and microstructural analysis for silicon nitride-scandium(III) oxide

NASA Technical Reports Server (NTRS)

Cheong, Deock-Soo; Sanders, William A.

1992-01-01

It was indicated that Si3N4 doped with Sc2O3 may exhibit high temperature mechanical properties superior to Si3N4 systems with various other oxide sintered additives. High temperature deformation of samples was studied by characterizing the microstructures before and after deformation. It was found that elements of the additive, such as Sc and O, exist in small amounts at very thin grain boundary layers and most of them stay in secondary phases at tripple and multiple grain boundary junctions. These secondary phases are devitrified as crystalline Sc2Si2O7. Deformation of the samples was dominated by cavitational processes rather than movements of dislocations. Thus the excellent deformation resistance of the samples at high temperature can be attributed to the very small thickness of the grain boundary layers and the crystalline secondary phase.

Kelvin-Helmholtz instability of a thin liquid sheet: Effect of the gas-boundary layer

NASA Astrophysics Data System (ADS)

Tirumkudulu, Mahesh

2017-11-01

It is well known that when a thin liquid sheet moves with respect to a surrounding gas phase, the liquid sheet is susceptible to the Kelvin-Helmholtz instability. Here, flow in both the liquid and the gas phases are assumed to be inviscid. In this work, we include exactly via a perturbation analysis, the influence of the growing boundary layer in the gas phase in the base flow and show that both temporal and spatial growth rates obtained from the linear stability analysis are significantly reduced due to the presence of the boundary layer. These results are in line with the simulation results of Lozano et al. and Tammisola et al.. We conclude with the implication of these results on the break-up of radially expanding liquid sheets. Funding from IIT Bombay, CSIR India, and Trinity College, Cambridge University is acknowledged.

Coercivity temperature dependence of Sm2Co17-type sintered magnets with different cell and cell boundary microchemistry

NASA Astrophysics Data System (ADS)

Yu, Nengjun; Zhu, Minggang; Song, Liwei; Fang, Yikun; Song, KuiKui; Wang, Qiang; Li, Wei

2018-04-01

High maximum energy product ((BH)max) Sm(CobalFe0.18Cu0.07Zr0.03)7.7 magnet (type-A) and high temperature Sm(CobalFe0.1Cu0.09Zr0.03)7.2 magnet (type-B) were prepared by a traditional powder metallurgical technology. A record (BH)max of 98.7 kJ/m3 with a coercivity (Hcj) of 501.5 kA/m at 773 K was achieved for the type-B magnet, which is much higher than that of type-A magnet (63.7 kJ/m3). The microstructures of the magnets were revealed by high-resolution transmission electron microscope. The average cell size of the type-A and B magnet are 110 nm and 90 nm, respectively. Moreover, the type-B magnet shows a wider cell boundary than the type-A magnet. Additionally, the element distribution of the cell/cell boundary interfaces was measured by energy-dispersive spectroscopy. The cell phase of the type-A magnet contains a higher Fe content as about 17 at%, comparing with that of the type-B magnet (∼8.9 at%). On the other hand, the Cu content of the cell boundary phase is 18 at% almost twice higher than the type-B magnet (8.6 at%). Theoretical Hcj temperature dependence of these two kinds of magnets indicates that the lower Cu content in the cell boundary phase and the appropriate Fe content in the cell phase are the key factors for the high Hcj for the type-B magnet at elevated temperature.

Quantum phase transitions of the one-dimensional Peierls-Hubbard model with next-nearest-neighbor hopping integrals

NASA Astrophysics Data System (ADS)

Otsuka, Hiromi

1998-06-01

We investigate two kinds of quantum phase transitions observed in the one-dimensional half-filled Peierls-Hubbard model with the next-nearest-neighbor hopping integral in the strong-coupling region U>>t, t' [t (t'), nearest- (next-nearest-) neighbor hopping; U, on-site Coulomb repulsion]. In the uniform case, with the help of the conformal field theory prediction, we numerically determine a phase boundary t'c(U/t) between the spin-fluid and the dimer states, where a bare coupling of the marginal operator vanishes and the low-energy and long-distance behaviors of the spin part are described by a free-boson model. To exhibit the conformal invariance of the systems on the phase boundary, a multiplet structure of the excitation spectrum of finite-size systems and a value of the central charge are also examined. The critical phenomenological aspect of the spin-Peierls transitions accompanied by the lattice dimerization is then argued for the systems on the phase boundary; the existence of logarithmic corrections to the power-law behaviors of the energy gain and the spin gap (i.e., the Cross-Fisher scaling law) are discussed.

Twist-averaged boundary conditions for nuclear pasta Hartree-Fock calculations

DOE PAGES

Schuetrumpf, B.; Nazarewicz, W.

2015-10-21

Nuclear pasta phases, present in the inner crust of neutron stars, are associated with nucleonic matter at subsaturation densities arranged in regular shapes. Those complex phases, residing in a layer which is approximately 100-m thick, impact many features of neutron stars. Theoretical quantum-mechanical simulations of nuclear pasta are usually carried out in finite three-dimensional boxes assuming periodic boundary conditions. The resulting solutions are affected by spurious finite-size effects. To remove spurious finite-size effects, it is convenient to employ twist-averaged boundary conditions (TABC) used in condensed matter, nuclear matter, and lattice quantum chromodynamics applications. In this work, we study the effectivenessmore » of TABC in the context of pasta phase simulations within nuclear density functional theory. We demonstrated that by applying TABC reliable results can be obtained from calculations performed in relatively small volumes. By studying various contributions to the total energy, we gain insights into pasta phases in mid-density range. Future applications will include the TABC extension of the adaptive multiresolution 3D Hartree-Fock solver and Hartree-Fock-Bogoliubov TABC applications to superfluid pasta phases and complex nucleonic topologies as in fission.« less

TASEP of interacting particles of arbitrary size

NASA Astrophysics Data System (ADS)

Narasimhan, S. L.; Baumgaertner, A.

2017-10-01

A mean-field description of the stationary state behaviour of interacting k-mers performing totally asymmetric exclusion processes (TASEP) on an open lattice segment is presented employing the discrete Takahashi formalism. It is shown how the maximal current and the phase diagram, including triple-points, depend on the strength of repulsive and attractive interactions. We compare the mean-field results with Monte Carlo simulation of three types interacting k-mers: monomers, dimers and trimers. (a) We find that the Takahashi estimates of the maximal current agree quantitatively with those of the Monte Carlo simulation in the absence of interaction as well as in both the the attractive and the strongly repulsive regimes. However, theory and Monte Carlo results disagree in the range of weak repulsion, where the Takahashi estimates of the maximal current show a monotonic behaviour, whereas the Monte Carlo data show a peaking behaviour. It is argued that the peaking of the maximal current is due to a correlated motion of the particles. In the limit of very strong repulsion the theory predicts a universal behavior: th maximal currents of k-mers correspond to that of non-interacting (k+1) -mers; (b) Monte Carlo estimates of the triple-points for monomers, dimers and trimers show an interesting general behaviour : (i) the phase boundaries α * and β* for entry and exit current, respectively, as function of interaction strengths show maxima for α* whereas β * exhibit minima at the same strength; (ii) in the attractive regime, however, the trend is reversed (β * > α * ). The Takahashi estimates of the triple-point for monomers show a similar trend as the Monte Carlo data except for the peaking of α * ; for dimers and trimers, however, the Takahashi estimates show an opposite trend as compared to the Monte Carlo data.

Turbulent Combustion Study of Scramjet Problem

DTIC Science & Technology

2015-08-01

boundary layer model for 2D simulations of a supersonic flat plate boundary layer . The inflow O2 has an average density of...flow above the flat plate has a transition from a laminar boundary layer to a turbulent boundary layer at a position downstream from the inlet. The...δ. Chapman [13] estimated the number of cells need to resolve the outer layer is proportional to Re0.4 for flat plat boundary layer and

Interactions between coherent twin boundaries and phase transition of iron under dynamic loading and unloading

NASA Astrophysics Data System (ADS)

Wang, Kun; Chen, Jun; Zhang, Xueyang; Zhu, Wenjun

2017-09-01

Phase transitions and deformation twins are constantly reported in many BCC metals under high pressure, whose interactions are of fundamental importance to understand the strengthening mechanism of these metals under extreme conditions. However, the interactions between twins and phase transition in BCC metals remain largely unexplored. In this work, interactions between coherent twin boundaries and α ↔ ɛ phase transition of iron are investigated using both non-equilibrium molecular dynamics simulations and the nudged elastic band method. Mechanisms of both twin-assisted phase transition and reverse phase transition are studied, and orientation relationships between BCC and HCP phases are found to be ⟨"separators="|11 1 ¯ ⟩ B C C||⟨"separators="|1 ¯2 1 ¯ 0 ⟩ H C P and ⟨"separators="|1 1 ¯ 0 ⟩ B C C||⟨"separators="|0001 ⟩ H C P for both cases. The twin boundary corresponds to {"separators="|10 1 ¯ 0 } H C P after the phase transition. It is amazing that the reverse transition seems to be able to "memorize" and recover the initial BCC twins. The memory would be partly lost when plastic slips take place in the HCP phase before the reverse transition. In the recovered initial BCC twins, three major twin spacings are observed, which are well explained in terms of energy barriers of transition from the HCP phase to the BCC twin. Besides, the variant selection rule of the twin assisted phase transition is also discussed. The results of present work could be expected to give some clues for producing ultra-fine grain structures in materials exhibiting martensitic phase transition.

Nonlinear magnetic responses at the phase boundaries around helimagnetic and skyrmion lattice phases in MnSi: Evaluation of robustness of noncollinear spin texture

NASA Astrophysics Data System (ADS)

Tsuruta, K.; Mito, M.; Deguchi, H.; Kishine, J.; Kousaka, Y.; Akimitsu, J.; Inoue, K.

2018-03-01

The phase diagram of a cubic chiral magnet MnSi with multiple Dzyaloshinskii-Moriya (DM) vectors as a function of temperature T and dc magnetic field Hdc was investigated using intensity mapping of the odd-harmonic responses of ac magnetization (M1 ω and M3 ω), and the responses at phase boundaries were evaluated according to a prescription [J. Phys. Soc. Jpn. 84, 104707 (2015), 10.7566/JPSJ.84.104707]. By evaluating M3 ω/M1 ω appearing at phase boundaries, the robustness of noncollinear spin texture in both the helimagnetic (HM) and the skyrmion lattice (SkL) phases of MnSi was discussed. The robustness of vortices-type solitonic texture SkL in MnSi is smaller than those of both the single DM HM and chiral soliton lattice phases of a monoaxial chiral magnet Cr1 /3NbS2 , and furthermore the robustness of the multiple DM HM phase in MnSi is smaller than that of its SkL. Through magnetic diagnostics over the wide T -Hdc range, we found a new paramagnetic (PM) region with ac magnetic hysteresis, where spin fluctuations have been observed via electrical magnetochiral effect. The anomalies observed in the previous ultrasonic attenuation measurement correspond to the peak positions of out-of-phase M1 ω. The appearance of a new PM region occurs at a characteristic magnetic field, above which indeed the SkL phase appears. It has us suppose that the new PM region could be a phase with spin fluctuation like the skyrmion gas phase.

Multiple Positive Solutions in the Second Order Autonomous Nonlinear Boundary Value Problems

NASA Astrophysics Data System (ADS)

Atslega, Svetlana; Sadyrbaev, Felix

2009-09-01

We construct the second order autonomous equations with arbitrarily large number of positive solutions satisfying homogeneous Dirichlet boundary conditions. Phase plane approach and bifurcation of solutions are the main tools.

Evolution of Grain Boundary Precipitates in an Al-Cu-Li Alloy During Aging

NASA Astrophysics Data System (ADS)

Ott, Noémie; Kairy, Shravan K.; Yan, Yuanming; Birbilis, Nick

2017-01-01

The grain boundary microstructure of Al-Cu-Li alloy AA2050 was investigated for different isothermal aging times to rationalize intergranular corrosion (IGC) characteristics. In the underaged condition, the dominant grain boundary precipitates are fine T1 (Al2CuLi). Extended aging revealed that grain boundaries were decorated by large T1 precipitates and S' phase (Al2CuMg), with S' growth not dimensionally constrained. Such a transition in the precipitate type at grain boundaries is a unique feature of the Al-Cu-Li system.

Thermodynamically self-consistent theory for the Blume-Capel model.

PubMed

Grollau, S; Kierlik, E; Rosinberg, M L; Tarjus, G

2001-04-01

We use a self-consistent Ornstein-Zernike approximation to study the Blume-Capel ferromagnet on three-dimensional lattices. The correlation functions and the thermodynamics are obtained from the solution of two coupled partial differential equations. The theory provides a comprehensive and accurate description of the phase diagram in all regions, including the wing boundaries in a nonzero magnetic field. In particular, the coordinates of the tricritical point are in very good agreement with the best estimates from simulation or series expansion. Numerical and analytical analysis strongly suggest that the theory predicts a universal Ising-like critical behavior along the lambda line and the wing critical lines, and a tricritical behavior governed by mean-field exponents.

The role of grain boundaries and transient porosity increase as fluid pathways for reaction front propagation

NASA Astrophysics Data System (ADS)

Jonas, Laura; John, Timm; Geisler, Thorsten; Putnis, Andrew

2013-04-01

The pseudomorphic replacement of Carrara marble by calcium phosphates was studied as a model system to examine the influence of different fluid pathways for reaction front propagation induced by fluid-rock interaction. In this model system, the grain boundaries present in the rock and the transient porosity structures developing throughout the replacement reaction enable the reaction front to progress further into the rock as well as to the center of each single grain until complete transformation. Hydrothermal treatment of the marble using phosphate bearing solutions at temperature levels of 150° C and 200° C for different durations lead to the formation of two product phases which were identified as hydroxyapatite [Ca5(PO4)3OH] as well as β-tricalcium phosphate [β-Ca3(PO4)2] (β-TCP). The formation of β-TCP was probably favored by the presence of ~0.6wt.% of Mg in the parent phase. Completely transformed single grains show a distinctive zoning, both in composition and texture. Whereas areas next to the grain boundary consist of nearly pure hydroxyapatite and show a coarse porosity, areas close to the center of the single grains show a high amount of β-TCP and a very fine porous microstructure. If F was added as an additional solution component, the formation of β-TCP was avoided and up to 3wt.% of F were incorporated into the product apatite. The use of the isotope 18O as a chronometer for the replacement reaction makes it possible to reconstruct the chronological development of the calcium phosphate reaction front. Raman analysis revealed that the incorporation of 18O in the PO4 tetrahedron of hydroxyapatite results in the development of distinct profiles in the calcium phosphate reaction front perpendicular to the grain boundaries of the marble. Through the use of the 18O chronometer, it is possible to estimate and compare the time effectiveness of the different fluid pathways in this model system. The results show that the grain boundaries serve as a very effective pathway that enable the fluid to penetrate the rock more than one order of magnitude faster compared to the newly developing channel-like porosity structures which act as pathways towards the center of single mineral grains. Thus, it may be possible for the fluid to progress relatively large distances along the grain boundaries after only short reaction durations without producing broad reaction fronts along the path.

Stable isotope evidence for gradual environmental changes and species survivorship across the Cretaceous/Tertiary Boundary

NASA Astrophysics Data System (ADS)

Barrera, Enriqueta; Keller, Gerta

1990-12-01

High-resolution δ13C and δ18O records have been generated from analyses of the planktonic foraminiferal species Heterohelix globulosa and the benthonic foraminiferal taxon Lenticulina spp from 3 m of a cored section spanning the Cretaceous/Tertiary (K/T) boundary at Brazos River, Texas. These are the first stable isotope records across the K/T boundary based on monospecific and monogeneric foraminiferal samples. They show a gradual decrease in δ13C values of about 2.5 permil beginning at the K/T boundary, as defined by the first appearance of Tertiary planktonic foraminifera, and continuing 17-20 cm above the boundary, approximately 40,000 years later. Gradual 13C depletion contrasts with the sudden δ13C drop at the K/T boundary observed in many deep-sea sections. The surface-to-bottom δ13C gradient decreased to less than zero approximately 25,000-30,000 years after the K/T boundary and remained negative for at least the next 140,000 years. Concomitant with change in δ13C values is a gradual decrease of about 2.5 permil in δ18C values which has not been observed at other localities. This 18O depletion suggests changes in temperature and/or salinity in the earliest Paleocene Gulf of Mexico. No extinction of foraminiferal species is associated with the K/T boundary or the onset of 18O and 13C depletions. Instead, two phases of Cretaceous species extinctions occur. One extinction phase is below the K/T boundary and below the tsunami bed of Bourgeois et al. [1988] and may be linked to sea level regression and environmental perturbations. The second extinction phase coincides with the minimum in δ13C and δ18O values in the Early Danian (Zone P0/Pla) and appears directly related to environmental changes reflected in the isotopic record. H. globulosa, which is commonly present in Maastrichtian and Danian sediments, exhibits significantly lower 18O/16O and 13C/12C ratios in Tertiary sediments relative to specimens from Maastrichtian sediments, demonstrating the survival of this important Cretaceous taxon after the K/T boundary event.

Detergent-Specific Membrane Protein Crystallization Screens

NASA Technical Reports Server (NTRS)

Wiener, Michael

2007-01-01

A suite of reagents has been developed for three-dimensional crystallization of integral membranes present in solution as protein-detergent complexes (PDCs). The compositions of these reagents have been determined in part by proximity to the phase boundaries (lower consolute boundaries) of the detergents present in the PDCs. The acquisition of some of the requisite phase-boundary data and the preliminary design of several of the detergent- specific screens was supported by a NASA contract. At the time of expiration of the contract, a partial set of preliminary screens had been developed. This work has since been extended under non-NASA sponsorship, leading to near completion of a set of 20 to 30 different and unique detergent- specific 96-condition screens.

Mixed conduction and grain boundary effect in lithium niobate under high pressure

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

Wang, Qinglin; Center for High Pressure Science and Technology Advanced Research, Changchun 130012; Liu, Cailong

2015-03-30

The charge transport behavior of lithium niobate has been investigated by in situ impedance measurement up to 40.6 GPa. The Li{sup +} ionic conduction plays a dominant role in the transport process. The relaxation process is described by the Maxwell-Wagner relaxation arising at the interfaces between grains and grain boundaries. The grain boundary microstructure rearranges after the phase transition, which improves the bulk dielectric performance. The theoretical calculations show that the decrease of bulk permittivity with increasing pressure in the Pnma phase is caused by the pressure-induced enhancement of electron localization around O atoms, which limits the polarization of Nb-O electricmore » dipoles.« less

Non-analyticity of holographic Rényi entropy in Lovelock gravity

NASA Astrophysics Data System (ADS)

Puletti, V. Giangreco M.; Pourhasan, Razieh

2017-08-01

We compute holographic Rényi entropies for spherical entangling surfaces on the boundary while considering third order Lovelock gravity with negative cosmological constant in the bulk. Our study shows that third order Lovelock black holes with hyperbolic event horizon are unstable, and at low temperatures those with smaller mass are favoured, giving rise to first order phase transitions in the bulk. We determine regions in the Lovelock parameter space in arbitrary dimensions, where bulk phase transitions happen and where boundary causality constraints are met. We show that each of these points corresponds to a dual boundary conformal field theory whose Rényi entropy exhibits a kink at a certain critical index n.

ZZ-Type a posteriori error estimators for adaptive boundary element methods on a curve☆

PubMed Central

Feischl, Michael; Führer, Thomas; Karkulik, Michael; Praetorius, Dirk

2014-01-01

In the context of the adaptive finite element method (FEM), ZZ-error estimators named after Zienkiewicz and Zhu (1987) [52] are mathematically well-established and widely used in practice. In this work, we propose and analyze ZZ-type error estimators for the adaptive boundary element method (BEM). We consider weakly singular and hyper-singular integral equations and prove, in particular, convergence of the related adaptive mesh-refining algorithms. Throughout, the theoretical findings are underlined by numerical experiments. PMID:24748725

Simulations of arctic mixed-phase clouds in forecasts with CAM3 and AM2 for M-PACE

DOE PAGES

Xie, Shaocheng; Boyle, James; Klein, Stephen A.; ...

2008-02-27

[1] Simulations of mixed-phase clouds in forecasts with the NCAR Atmosphere Model version 3 (CAM3) and the GFDL Atmospheric Model version 2 (AM2) for the Mixed-Phase Arctic Cloud Experiment (M-PACE) are performed using analysis data from numerical weather prediction centers. CAM3 significantly underestimates the observed boundary layer mixed-phase cloud fraction and cannot realistically simulate the variations of liquid water fraction with temperature and cloud height due to its oversimplified cloud microphysical scheme. In contrast, AM2 reasonably reproduces the observed boundary layer cloud fraction while its clouds contain much less cloud condensate than CAM3 and the observations. The simulation of themore » boundary layer mixed-phase clouds and their microphysical properties is considerably improved in CAM3 when a new physically based cloud microphysical scheme is used (CAM3LIU). The new scheme also leads to an improved simulation of the surface and top of the atmosphere longwave radiative fluxes. Sensitivity tests show that these results are not sensitive to the analysis data used for model initialization. Increasing model horizontal resolution helps capture the subgrid-scale features in Arctic frontal clouds but does not help improve the simulation of the single-layer boundary layer clouds. AM2 simulated cloud fraction and LWP are sensitive to the change in cloud ice number concentrations used in the Wegener-Bergeron-Findeisen process while CAM3LIU only shows moderate sensitivity in its cloud fields to this change. Furthermore, this paper shows that the Wegener-Bergeron-Findeisen process is important for these models to correctly simulate the observed features of mixed-phase clouds.« less

Simulations of Arctic mixed-phase clouds in forecasts with CAM3 and AM2 for M-PACE

NASA Astrophysics Data System (ADS)

Xie, Shaocheng; Boyle, James; Klein, Stephen A.; Liu, Xiaohong; Ghan, Steven

2008-02-01

Simulations of mixed-phase clouds in forecasts with the NCAR Atmosphere Model version 3 (CAM3) and the GFDL Atmospheric Model version 2 (AM2) for the Mixed-Phase Arctic Cloud Experiment (M-PACE) are performed using analysis data from numerical weather prediction centers. CAM3 significantly underestimates the observed boundary layer mixed-phase cloud fraction and cannot realistically simulate the variations of liquid water fraction with temperature and cloud height due to its oversimplified cloud microphysical scheme. In contrast, AM2 reasonably reproduces the observed boundary layer cloud fraction while its clouds contain much less cloud condensate than CAM3 and the observations. The simulation of the boundary layer mixed-phase clouds and their microphysical properties is considerably improved in CAM3 when a new physically based cloud microphysical scheme is used (CAM3LIU). The new scheme also leads to an improved simulation of the surface and top of the atmosphere longwave radiative fluxes. Sensitivity tests show that these results are not sensitive to the analysis data used for model initialization. Increasing model horizontal resolution helps capture the subgrid-scale features in Arctic frontal clouds but does not help improve the simulation of the single-layer boundary layer clouds. AM2 simulated cloud fraction and LWP are sensitive to the change in cloud ice number concentrations used in the Wegener-Bergeron-Findeisen process while CAM3LIU only shows moderate sensitivity in its cloud fields to this change. This paper shows that the Wegener-Bergeron-Findeisen process is important for these models to correctly simulate the observed features of mixed-phase clouds.

Universal entanglement spectra of gapped one-dimensional field theories

NASA Astrophysics Data System (ADS)

Cho, Gil Young; Ludwig, Andreas W. W.; Ryu, Shinsei

2017-03-01

We discuss the entanglement spectrum of the ground state of a (1+1)-dimensional system in a gapped phase near a quantum phase transition. In particular, in proximity to a quantum phase transition described by a conformal field theory (CFT), the system is represented by a gapped Lorentz invariant field theory in the "scaling limit" (correlation length ξ much larger than microscopic "lattice" scale "a "), and can be thought of as a CFT perturbed by a relevant perturbation. We show that for such (1+1) gapped Lorentz invariant field theories in infinite space, the low-lying entanglement spectrum obtained by tracing out, say, left half-infinite space, is precisely equal to the physical spectrum of the unperturbed gapless, i.e., conformal field theory defined on a finite interval of length Lξ=ln(ξ /a ) with certain boundary conditions. In particular, the low-lying entanglement spectrum of the gapped theory is the finite-size spectrum of a boundary conformal field theory, and is always discrete and universal. Each relevant perturbation, and thus each gapped phase in proximity to the quantum phase transition, maps into a particular boundary condition. A similar property has been known to hold for Baxter's corner transfer matrices in a very special class of fine-tuned, namely, integrable off-critical lattice models, for the entire entanglement spectrum and independent of the scaling limit. In contrast, our result applies to completely general gapped Lorentz invariant theories in the scaling limit, without the requirement of integrability, for the low-lying entanglement spectrum. While the entanglement spectrum of the ground state of a gapped theory on a finite interval of length 2 R with suitable boundary conditions, bipartitioned into two equal pieces, turns out to exhibit a crossover between the finite-size spectra of the same CFT with in general different boundary conditions as the system size R crosses the correlation length from the "critical regime'' R ≪ξ to the "gapped regime'' R ≫ξ , the physical spectrum on a finite interval of length R with the same boundary conditions, on the other hand, is known to undergo a dramatic reorganization during the same crossover from being discrete to being continuous.

Applications of Space-Time Duality

NASA Astrophysics Data System (ADS)

Plansinis, Brent W.

The concept of space-time duality is based on a mathematical analogy between paraxial diffraction and narrowband dispersion, and has led to the development of temporal imaging systems. The first part of this thesis focuses on the development of a temporal imaging system for the Laboratory for Laser Energetics. Using an electro-optic phase modulator as a time lens, a time-to-frequency converter is constructed capable of imaging pulses between 3 and 12 ps. Numerical simulations show how this system can be improved to image the 1-30 ps range used in OMEGA-EP. By adjusting the timing between the pulse and the sinusoidal clock of the phase modulator, the pulse spectrum can be selectively narrowed, broadened, or shifted. An experimental demonstration of this effect achieved spectral narrowing and broadening by a factor of 2. Numerical simulations show narrowing by a factor of 8 is possible with modern phase modulators. The second part of this thesis explores the space-time analog of reflection and refraction from a moving refractive index boundary. From a physics perspective, a temporal boundary breaks translational symmetry in time, requiring the momentum of the photon to remain unchanged while its energy may change. This leads to a shifting and splitting of the pulse spectrum as the boundary is crossed. Equations for the reflected and transmitted frequencies and a condition for total internal reflection are found. Two of these boundaries form a temporal waveguide, which confines the pulse to a narrow temporal window. These waveguides have a finite number of modes, which do not change during propagation. A single-mode waveguide can be created, allowing only a single pulse shape to form within the waveguide. Temporal reflection and refraction produce a frequency dependent phase shift on the incident pulse, leading to interference fringes between the incident light and the reflected light. In a waveguide, this leads to self-imaging, where the pulse shape reforms periodically at finite propagation lengths. Numerical simulations are performed for the specific case where the moving boundary is produced through cross-phase modulation. In this case, the Kerr nonlinearity causes the boundary to change during propagation, leading to unique temporal and spectral behavior.

Detecting phase boundaries of quantum spin-1/2 XXZ ladder via bipartite and multipartite entanglement transitions

NASA Astrophysics Data System (ADS)

Singha Roy, Sudipto; Dhar, Himadri Shekhar; Rakshit, Debraj; Sen(De), Aditi; Sen, Ujjwal

2017-12-01

Phase transition in quantum many-body systems inevitably causes changes in certain physical properties which then serve as potential indicators of critical phenomena. Besides the traditional order parameters, characterization of quantum entanglement has proven to be a computationally efficient and successful method for detection of phase boundaries, especially in one-dimensional models. Here we determine the rich phase diagram of the ground states of a quantum spin-1/2 XXZ ladder by analyzing the variation of bipartite and multipartite entanglements. Our study characterizes the different ground state phases and notes the correspondence with known results, while highlighting the finer details that emerge from the behavior of ground state entanglement. Analysis of entanglement in the ground state provides a clearer picture of the complex ground state phase diagram of the system using only a moderate-size model.

ESR imaging investigations of two-phase systems.

PubMed

Herrmann, Werner; Stösser, Reinhard; Borchert, Hans-Hubert

2007-06-01

The possibilities of electron spin resonance (ESR) and electron spin resonance imaging (ESRI) for investigating the properties of the spin probes TEMPO and TEMPOL in two-phase systems have been examined in the systems water/n-octanol, Miglyol/Miglyol, and Precirol/Miglyol. Phases and regions of the phase boundary could be mapped successfully by means of the isotropic hyperfine coupling constants, and, moreover, the quantification of rotational and lateral diffusion of the spin probes was possible. For the quantitative treatment of the micropolarity, a simplified empirical model was established on the basis of the Nernst distribution and the experimentally determined isotropic hyperfine coupling constants. The model does not only describe the summarized micropolarities of coexisting phases, but also the region of the phase boundary, where solvent molecules of different polarities and tendencies to form hydrogen bonds compete to interact with the NO group of the spin probe. Copyright 2007 John Wiley & Sons, Ltd.

Combining the boundary shift integral and tensor-based morphometry for brain atrophy estimation

NASA Astrophysics Data System (ADS)

Michalkiewicz, Mateusz; Pai, Akshay; Leung, Kelvin K.; Sommer, Stefan; Darkner, Sune; Sørensen, Lauge; Sporring, Jon; Nielsen, Mads

2016-03-01

Brain atrophy from structural magnetic resonance images (MRIs) is widely used as an imaging surrogate marker for Alzheimers disease. Their utility has been limited due to the large degree of variance and subsequently high sample size estimates. The only consistent and reasonably powerful atrophy estimation methods has been the boundary shift integral (BSI). In this paper, we first propose a tensor-based morphometry (TBM) method to measure voxel-wise atrophy that we combine with BSI. The combined model decreases the sample size estimates significantly when compared to BSI and TBM alone.

Carbon under extreme conditions: phase boundaries from first-principles theory

NASA Astrophysics Data System (ADS)

Correa, Alfredo A.; Bonev, Stanimir A.; Galli, Giulia

2006-03-01

We present predictions of diamond and BC8 melting lines and their phase boundary in the solid phase, as obtained from first principles calculations. Maxima are found in both melting lines, with a triple point located at ˜850 GPa and ˜7400 K. Our results show that hot, compressed diamond is a semiconductor which undergoes metalization upon melting. On the contrary, in the stability range of BC8, an insulator to metal transition is likely to occur in the solid phase. Close to the diamond/ and BC8/liquid boundaries, molten carbon is a low-coordinated metal retaining some covalent character in its bonding up to extreme pressures. Our data provide constraints to the carbon equation of state, which is of critical importance to devise models of, e.g., Neptune, Uranus and white dwarf stars, as well as of extra-solar carbon planets. This work was performed under the auspices of the U.S. Dept. of Energy at the University of California/Lawrence Livermore National Laboratory under contract no. W-7405-Eng-48.

Intergranular fracture in UO{sub 2}: derivation of traction-separation law from atomistic simulations

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

Zhang, Yongfeng; Millett, P.C.; Tonks, M.R.

2013-07-01

In this study, the intergranular fracture behavior of UO{sub 2} was studied by molecular dynamics simulations using the Basak potential. In addition, the constitutive traction-separation law was derived from atomistic data using the cohesive-zone model. In the simulations a bicrystal model with the (100) symmetric tilt Σ5 grain boundaries was utilized. Uniaxial tension along the grain boundary normal was applied to simulate Mode-I fracture. The fracture was observed to propagate along the grain boundary by micro-pore nucleation and coalescence, giving an overall intergranular fracture behavior. Phase transformations from the Fluorite to the Rutile and Scrutinyite phases were identified at themore » propagating crack tips. These new phases are metastable and they transformed back to the Fluorite phase at the wake of crack tips as the local stress concentration was relieved by complete cracking. Such transient behavior observed at atomistic scale was found to substantially increase the energy release rate for fracture. Insertion of Xe gas into the initial notch showed minor effect on the overall fracture behavior. (authors)« less

Intergranular fracture in UO2: derivation of traction-separation law from atomistic simulations

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

Yongfeng Zhang; Paul C Millett; Michael R Tonks

2013-10-01

In this study, the intergranular fracture behavior of UO2 was studied by molecular dynamics simulations using the Basak potential. In addition, the constitutive traction-separation law was derived from atomistic data using the cohesive-zone model. In the simulations a bicrystal model with the (100) symmetric tilt E5 grain boundaries was utilized. Uniaxial tension along the grain boundary normal was applied to simulate Mode-I fracture. The fracture was observed to propagate along the grain boundary by micro-pore nucleation and coalescence, giving an overall intergranular fracture behavior. Phase transformations from the Fluorite to the Rutile and Scrutinyite phases were identified at the propagatingmore » crack tips. These new phases are metastable and they transformed back to the Fluorite phase at the wake of crack tips as the local stress concentration was relieved by complete cracking. Such transient behavior observed at atomistic scale was found to substantially increase the energy release rate for fracture. Insertion of Xe gas into the initial notch showed minor effect on the overall fracture behavior.« less

A level set-based topology optimization method for simultaneous design of elastic structure and coupled acoustic cavity using a two-phase material model

NASA Astrophysics Data System (ADS)

Noguchi, Yuki; Yamamoto, Takashi; Yamada, Takayuki; Izui, Kazuhiro; Nishiwaki, Shinji

2017-09-01

This papers proposes a level set-based topology optimization method for the simultaneous design of acoustic and structural material distributions. In this study, we develop a two-phase material model that is a mixture of an elastic material and acoustic medium, to represent an elastic structure and an acoustic cavity by controlling a volume fraction parameter. In the proposed model, boundary conditions at the two-phase material boundaries are satisfied naturally, avoiding the need to express these boundaries explicitly. We formulate a topology optimization problem to minimize the sound pressure level using this two-phase material model and a level set-based method that obtains topologies free from grayscales. The topological derivative of the objective functional is approximately derived using a variational approach and the adjoint variable method and is utilized to update the level set function via a time evolutionary reaction-diffusion equation. Several numerical examples present optimal acoustic and structural topologies that minimize the sound pressure generated from a vibrating elastic structure.

Direct observation of in-plane anisotropy of the superconducting critical current density in Ba (Fe1-xCox) 2As2 crystals

NASA Astrophysics Data System (ADS)

Hecher, J.; Ishida, S.; Song, D.; Ogino, H.; Iyo, A.; Eisaki, H.; Nakajima, M.; Kagerbauer, D.; Eisterer, M.

2018-01-01

The phase diagram of iron-based superconductors exhibits structural transitions, electronic nematicity, and magnetic ordering, which are often accompanied by an electronic in-plane anisotropy and a sharp maximum of the superconducting critical current density (Jc) near the phase boundary of the tetragonal and the antiferromagnetic-orthorhombic phase. We utilized scanning Hall-probe microscopy to visualize the Jc of twinned and detwinned Ba (Fe1-xCox) 2As2 (x =5 %-8 % ) crystals to compare the electronic normal state properties with superconducting properties. We find that the electronic in-plane anisotropy continues into the superconducting state. The observed correlation between the electronic and the Jc anisotropy agrees qualitatively with basic models, however, the Jc anisotropy is larger than predicted from the resistivity data. Furthermore, our measurements show that the maximum of Jc at the phase boundary does not vanish when the crystals are detwinned. This shows that twin boundaries are not responsible for the large Jc, suggesting an exotic pinning mechanism.

The growth mechanism of grain boundary carbide in Alloy 690

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

Li, Hui, E-mail: huili@shu.edu.cn; Institute of Materials, Shanghai University, Shanghai 200072; Xia, Shuang

2013-07-15

The growth mechanism of grain boundary M{sub 23}C{sub 6} carbides in nickel base Alloy 690 after aging at 715 °C was investigated by high resolution transmission electron microscopy. The grain boundary carbides have coherent orientation relationship with only one side of the matrix. The incoherent phase interface between M{sub 23}C{sub 6} and matrix was curved, and did not lie on any specific crystal plane. The M{sub 23}C{sub 6} carbide transforms from the matrix phase directly at the incoherent interface. The flat coherent phase interface generally lies on low index crystal planes, such as (011) and (111) planes. The M{sub 23}C{submore » 6} carbide transforms from a transition phase found at curved coherent phase interface. The transition phase has a complex hexagonal crystal structure, and has coherent orientation relationship with matrix and M{sub 23}C{sub 6}: (111){sub matrix}//(0001){sub transition}//(111){sub carbide}, <112{sup ¯}>{sub matrix}//<21{sup ¯}10>{sub transition}//<112{sup ¯}>{sub carbide}. The crystal lattice constants of transition phase are c{sub transition}=√(3)×a{sub matrix} and a{sub transition}=√(6)/2×a{sub matrix}. Based on the experimental results, the growth mechanism of M{sub 23}C{sub 6} and the formation mechanism of transition phase are discussed. - Highlights: • A transition phase was observed at the coherent interfaces of M{sub 23}C{sub 6} and matrix. • The transition phase has hexagonal structure, and is coherent with matrix and M{sub 23}C{sub 6}. • The M{sub 23}C{sub 6} transforms from the matrix directly at the incoherent phase interface.« less

Mixing in Shear Coaxial Jets (Briefing Charts)

DTIC Science & Technology

2013-08-01

relevant boundary layers 9. Thermodynamic states (2 phase, 1 phase) 10. Transverse Acoustic mode from chamber/siren, f=f(c, geometry St=fDij/Uij 11...stability theory for inviscid instability of a hyperbolic tangent velocity profile for free boundary layers • U(y)=0.5[1 + tanh(y)] • Chigier and Beer , 1964...acoustics Natural OJ excited IJ excited From Chigier NA. and Beer JM, The Flow Region Near the Nozzle in Double Concentric Jets, J of

A multilevel simulation approach to derive the slip boundary condition of the solid phase in two-fluid models

NASA Astrophysics Data System (ADS)

Feng, Zhi-Gang; Michaelides, Efstathios; Mao, Shaolin

2011-11-01

The simulation of particulate flows for industrial applications often requires the use of a two-fluid model (TFM), where the solid particles are considered as a separate continuous phase. One of the underlining uncertainties in the use of aTFM in multiphase computations comes from the boundary condition of the solid phase. The no-slip condition at a solid boundary is not a valid assumption for the solid phase. Instead, several researchers advocate a slip condition as a more appropriate boundary condition. However, the question on the selection of an exact slip length or a slip velocity coefficient is still unanswered. In the present work we propose a multilevel simulation approach to compute the slip length that is applicable to a TFM. We investigate the motion of a number of particles near a vertical solid wall, while the particles are in fluidization using a direct numerical simulation (DNS); the positions and velocities of the particles are being tracked and analyzed at each time step. It is found that the time- and vertical-space averaged values of the particle velocities converge, yielding velocity profiles that can be used to deduce the particle slip length close to a solid wall. This work was supported by a grant from the DOE-NETL (DE-NT0008064) and by a grant from NSF (HRD-0932339).

Dynamic Recrystallization of the Constituent γ Phase and Mechanical Properties of Ti-43Al-9V-0.2Y Alloy Sheet.

PubMed

Zhang, Yu; Wang, Xiaopeng; Kong, Fantao; Chen, Yuyong

2017-09-15

A crack-free Ti-43Al-9V-0.2Y alloy sheet was successfully fabricated via hot-pack rolling at 1200 °C. After hot-rolling, the β/γ lamellar microstructure of the as-forged TiAl alloy was completely converted into a homogeneous duplex microstructure with an average γ grain size of 10.5 μm. The dynamic recrystallization (DRX) of the γ phase was systematically investigated. A recrystallization fraction of 62.5% was obtained for the γ phase in the TiAl alloy sheet, when a threshold value of 0.8° was applied to the distribution of grain orientation spread (GOS) values. The high strain rate and high stress associated with hot-rolling are conducive for discontinuous dynamic recrystallization (DDRX) and continuous dynamic recrystallization (CDRX), respectively. A certain high-angle boundary (HAGB: θ = 89° ± 3°<100>), which is associated with DDRX, occurs in both the recrystallized and deformed γ grains. The twin boundaries play an important role in the DDRX of the γ phase. Additionally, the sub-structures and sub-boundaries originating from low-angle boundaries in the deformed grains also indicate that CDRX occurs. The mechanical properties of the alloy sheet were determined at both room and elevated temperatures. At 750 °C, the alloy sheet exhibited excellent elongation (53%), corresponding to a failure strength of 467 MPa.

Stress Corrosion Cracking Issues in Light Metals for Automotive Applications

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

Jones, Russell H.; Danielson, Michael J.; Baer, Donald R.

The Partnership for New Generation Vehicle has the goal of producing lightweight automobiles that achieve 80 mpg. To accomplish this will require liberal use of Al and Mg alloys such as AA5083 and AZ91D. The corrosion and stress corrosion of alloy AA5083 is controlled by the precipitation of the b-phase (Al3Mg2) at grain boundaries and by the precipitation of the g-phase (Mg17Al12) in AZ91D. The b-phase is anodic to the Al matrix while the g-phase is cathodic to the Mg matrix. The effects of crack propagation along grain boundaries with electrochemically active particles is a key factor in the SCCmore » performance of these materials.« less

Direct observation of anti-phase boundaries in heteroepitaxy of GaSb thin films grown on Si(001) by transmission electron microscopy

NASA Astrophysics Data System (ADS)

Woo, S. Y.; Hosseini Vajargah, S.; Ghanad-Tavakoli, S.; Kleiman, R. N.; Botton, G. A.

2012-10-01

Unambiguous identification of anti-phase boundaries (APBs) in heteroepitaxial films of GaSb grown on Si has been so far elusive. In this work, we present conventional transmission electron microscopy (TEM) diffraction contrast imaging using superlattice reflections, in conjunction with convergent beam electron diffraction analysis, to determine a change in polarity across APBs in order to confirm the presence of anti-phase disorder. In-depth analysis of anti-phase disorder is further supported with atomic resolution high-angle annular dark-field scanning transmission electron microscopy. The nature of APBs in GaSb is further elucidated by a comparison to previous results for GaAs epilayers grown on Si.

Correlative multi-scale characterization of a fine grained Nd-Fe-B sintered magnet.

PubMed

Sasaki, T T; Ohkubo, T; Hono, K; Une, Y; Sagawa, M

2013-09-01

The Nd-rich phases in pressless processed fine grained Nd-Fe-B sintered magnets have been characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), and three dimensional atom probe tomography (3DAP). The combination of the backscattered electron (BSE) and in-lens secondary electron (IL-SE) images in SEM led to an unambiguous identification of four types of Nd-rich phases, NdOx, Ia3 type phase, which is isostructural to Nd₂O₃, dhcp-Nd and Nd₁Fe₄B₄. In addition, the 3DAP analysis of thin Nd-rich grain boundary layer indicate that the coercivity has a close correlation with the chemistry of the grain boundary phase. Copyright © 2013 Elsevier B.V. All rights reserved.

Shear-driven instability in zirconium at high pressure and temperature and its relationship to phase-boundary behaviors

DOE PAGES

Jacobsen, Matthew K.; Velisavljevic, Nenad; Kono, Yoshio; ...

2017-04-05

Evidence in support of a shear driven anomaly in zirconium at elevated temperatures and pressures has been determined through the combined use of ultrasonic, diffractive, and radiographic techniques. Implications that these have on the phase diagram are explored through thermoacoustic parameters associated with the elasticity and thermal characteristics. In particular, our results illustrate a deviating phase boundary between the α and ω phases, referred to as a kink, at elevated temperatures and pressures. Furthermore, pair distribution studies of this material at more extreme temperatures and pressures illustrate the scale on which diffusion takes place in this material. Possible interpretation ofmore » these can be made through inspection of shear-driven anomalies in other systems.« less

Shear-driven instability in zirconium at high pressure and temperature and its relationship to phase-boundary behaviors

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

Jacobsen, M. K.; Velisavljevic, N.; Kono, Y.

2017-04-01

Evidence in support of a shear driven anomaly in zirconium at elevated temperatures and pressures has been determined through the combined use of ultrasonic, diffractive, and radiographic techniques. Implications that these have on the phase diagram are explored through thermoacoustic parameters associated with the elasticity and thermal characteristics. In particular, our results illustrate a deviating phase boundary between the α and ω phases, referred to as a kink, at elevated temperatures and pressures. Further, pair distribution studies of this material at more extreme temperatures and pressures illustrate the scale on which diffusion takes place in this material. Possible interpretation ofmore » these can be made through inspection of shear-driven anomalies in other systems.« less

Boundary condition at a two-phase interface in the lattice Boltzmann method for the convection-diffusion equation.

PubMed

Yoshida, Hiroaki; Kobayashi, Takayuki; Hayashi, Hidemitsu; Kinjo, Tomoyuki; Washizu, Hitoshi; Fukuzawa, Kenji

2014-07-01

A boundary scheme in the lattice Boltzmann method (LBM) for the convection-diffusion equation, which correctly realizes the internal boundary condition at the interface between two phases with different transport properties, is presented. The difficulty in satisfying the continuity of flux at the interface in a transient analysis, which is inherent in the conventional LBM, is overcome by modifying the collision operator and the streaming process of the LBM. An asymptotic analysis of the scheme is carried out in order to clarify the role played by the adjustable parameters involved in the scheme. As a result, the internal boundary condition is shown to be satisfied with second-order accuracy with respect to the lattice interval, if we assign appropriate values to the adjustable parameters. In addition, two specific problems are numerically analyzed, and comparison with the analytical solutions of the problems numerically validates the proposed scheme.

Nonequilibrium chemistry boundary layer integral matrix procedure

NASA Technical Reports Server (NTRS)

Tong, H.; Buckingham, A. C.; Morse, H. L.

1973-01-01

The development of an analytic procedure for the calculation of nonequilibrium boundary layer flows over surfaces of arbitrary catalycities is described. An existing equilibrium boundary layer integral matrix code was extended to include nonequilibrium chemistry while retaining all of the general boundary condition features built into the original code. For particular application to the pitch-plane of shuttle type vehicles, an approximate procedure was developed to estimate the nonequilibrium and nonisentropic state at the edge of the boundary layer.

Geoantineutrino spectrum and slow nuclear burning on the boundary of the liquid and solid phases of the Earth's core

NASA Astrophysics Data System (ADS)

Rusov, V. D.; Pavlovich, V. N.; Vaschenko, V. N.; Tarasov, V. A.; Zelentsova, T. N.; Bolshakov, V. N.; Litvinov, D. A.; Kosenko, S. I.; Byegunova, O. A.

2007-09-01

We give an alternative description of the data produced in the KamLAND experiment. Assuming the existence of a natural nuclear reactor on the boundary of the liquid and solid phases of the Earth's core, a geoantineutrino spectrum is obtained. This assumption is based on the experimental results of V. Anisichkin and his collaborators on the interaction of uranium dioxide and uranium carbide with iron-nickel and silica-alumina melts at high pressure (5-10 GPa) and temperature (1600-2200°C), which led to the proposal of the existence of an actinide shell in the Earth's core. We describe the operating mechanism of this reactor as solitary waves of nuclear burning in 238U and/or 232Th medium, in particular, as neutron fission progressive waves of Feoktistov and/or Teller et al. type. Next, we propose a simplified model for the accumulation and burn-up kinetics in Feoktistov's U-Pu fuel cycle. We also apply this model for numerical simulations of neutron fission wave in a two-phase UO2/Fe medium on the surface of the Earth's solid core. The proposed georeactor model offers a mechanism for the generation of 3He. The 3He/4He distribution in the Earth's interior is calculated, which in turn can be used as a natural quantitative criterion of the georeactor thermal power. Finally, we give a tentative estimation of the geoantineutrino intensity and spectrum on the Earth's surface. For this purpose we use the O'Nions et al. geochemical model of mantle differentiation and crust growth complemented by a nuclear energy source (georeactor with power of 30 TW).

Molecular chirality and domain shapes in lipid monolayers on aqueous surfaces

NASA Astrophysics Data System (ADS)

Krüger, Peter; Lösche, Mathias

2000-11-01

The shapes of domain boundaries in the mesoscopic phase separation of phospholipids in aqueous surface monolayers are analyzed with particular attention to the influence of molecular chirality. We have calculated equilibrium shapes of such boundaries, and show that the concept of spontaneous curvature-derived from an effective pair potential between the chiral molecules-yields an adequate description of the contribution of chirality to the total energy of the system. For enantiomeric dipalmitoylphosphatidylcholine in pure monolayers, and in mixtures with impurities that adsorb preferentially at the (one-dimensional) boundary line between the isotropic and anisotropic fluid phases, such as cyanobiphenyl (5CB), a total energy term that includes line tension, electrostatic dipole-dipole interaction, and spontaneous curvature is sufficient to describe the shapes of well-separated domain boundaries in full detail. As soon as interdomain distances fall below the domain sizes upon compression of a monolayer, fluctuations take over in determining its detailed structural morphology. Using Minkowski measures for the well-studied dimyristoyl phosphatidic acid (DMPA)/cholesterol system, we show that calculations accounting for line tension, electrostatic repulsion, and molecular chirality yield boundary shapes that are of the same topology as the experimentally observed structures. At a fixed molecular area in the phase coexistence region, the DMPA/cholesterol system undergoes an exponential decay of the line tension λ with decreasing subphase temperature T.

Theoretical analysis of shock induced depolarization and current generation in ferroelectrics

NASA Astrophysics Data System (ADS)

Agrawal, Vinamra; Bhattacharya, Kaushik

Ferroelectric generators are used to generate large magnitude current pulse by impacting a polarized ferroelectric material. The impact causes depolarization of the material and at high impact speeds, dielectric breakdown. Depending on the loading conditions and the electromechanical boundary conditions, the current or voltage profiles obtained vary. In this study, we explore the large deformation dynamic response of a ferroelectric material. Using the Maxwell's equations, conservation laws and the second law of thermodynamics, we derive the governing equations for the phase boundary propagation as well as the driving force acting on it. We allow for the phase boundary to contain surface charges which introduces the contribution of curvature of phase boundary in the governing equations and the driving force. This type of analysis accounts for the dielectric breakdown and resulting conduction in the material. Next, we implement the equations derived to solve a one dimensional impact problem on a ferroelectric material under different electrical boundary conditions. The constitutive law is chosen to be piecewise quadratic in polarization and quadratic in the strain. We solve for the current profile generated in short circuit case and for voltage profile in open circuited case. This work was made possible by the financial support of the US Air Force Office of Scientific Research through the Center of Excellence in High Rate Deformation Physics of Heterogeneous Materials (Grant: FA 9550-12-1-0091).

Circulation of carbon dioxide in the mantle: multiscale modeling

NASA Astrophysics Data System (ADS)

Morra, G.; Yuen, D. A.; Lee, S.

2012-12-01

Much speculation has been put forward on the quantity and nature of carbon reservoirs in the deep Earth, because of its involvement in the evolution of life at the surface and inside planetary interiors. Carbon penetrates into the Earth's mantle mostly during subduction of oceanic crust, which contains carbonate deposits [1], however the form that it assumes at lower mantle depths is scarcely understood [2], hampering our ability to estimate the amount of carbon in the entire mantle by orders of magnitude. We present simulations of spontaneous degassing of supercritical CO2 using in-house developed novel implementations of the Fast-Multipole Boundary Element Method suitable for modeling two-phase flow (here mantle mineral and free CO2 fluid) through disordered materials such as porous rocks. Because the mutual interaction of droplets immersed either in a fluid or a solid matrix and their weakening effect to the host rock alters the strength of the mantle rocks, at the large scale the fluid phases in the mantle may control the creeping of mantle rocks [3]. In particular our study focuses on the percolation of supercritical CO2, estimated through the solution of the Laplace equation in a porous system, stochastically generated through a series of random Karhunen-Loeve decomposition. The model outcome is employed to extract the transmissivity of supercritical fluids in the mantle from the lowest scale up to the mantle scale and in combination with the creeping flow of the convecting mantle. The emerging scenarios on the global carbon cycle are finally discussed. [1] Boulard, E., et al., New host for carbon in the deep Earth. Proceedings of the National Academy of Sciences, 2011. 108(13): p. 5184-5187. [2] Walter, M.J., et al., Deep Mantle Cycling of Oceanic Crust: Evidence from Diamonds and Their Mineral Inclusions. Science, 2011. 334(6052): p. 54-57. [3] Morra, G., et al., Ascent of Bubbles in Magma Conduits Using Boundary Elements and Particles. Procedia Computer Science, 2011.; Boundary Element solution of a flow through a porous. Left boxes represent the the matrix associated with the integrals. The flow enters below and emerges at the top, the amount of flow is identical. The flow is spread in the porous and is viscousless (Laplace equation).

SINFAC - SYSTEMS IMPROVED NUMERICAL FLUIDS ANALYSIS CODE

NASA Technical Reports Server (NTRS)

Costello, F. A.

1994-01-01

The Systems Improved Numerical Fluids Analysis Code, SINFAC, consists of additional routines added to the April 1983 revision of SINDA, a general thermal analyzer program. The purpose of the additional routines is to allow for the modeling of active heat transfer loops. The modeler can simulate the steady-state and pseudo-transient operations of 16 different heat transfer loop components including radiators, evaporators, condensers, mechanical pumps, reservoirs and many types of valves and fittings. In addition, the program contains a property analysis routine that can be used to compute the thermodynamic properties of 20 different refrigerants. SINFAC can simulate the response to transient boundary conditions. SINFAC was first developed as a method for computing the steady-state performance of two phase systems. It was then modified using CNFRWD, SINDA's explicit time-integration scheme, to accommodate transient thermal models. However, SINFAC cannot simulate pressure drops due to time-dependent fluid acceleration, transient boil-out, or transient fill-up, except in the accumulator. SINFAC also requires the user to be familiar with SINDA. The solution procedure used by SINFAC is similar to that which an engineer would use to solve a system manually. The solution to a system requires the determination of all of the outlet conditions of each component such as the flow rate, pressure, and enthalpy. To obtain these values, the user first estimates the inlet conditions to the first component of the system, then computes the outlet conditions from the data supplied by the manufacturer of the first component. The user then estimates the temperature at the outlet of the third component and computes the corresponding flow resistance of the second component. With the flow resistance of the second component, the user computes the conditions down stream, namely the inlet conditions of the third. The computations follow for the rest of the system, back to the first component. On the first pass, the user finds that the calculated outlet conditions of the last component do not match the estimated inlet conditions of the first. The user then modifies the estimated inlet conditions of the first component in an attempt to match the calculated values. The user estimated values are called State Variables. The differences between the user estimated values and calculated values are called the Error Variables. The procedure systematically changes the State Variables until all of the Error Variables are less than the user-specified iteration limits. The solution procedure is referred to as SCX. It consists of two phases, the Systems phase and the Controller phase. The X is to imply experimental. SCX computes each next set of State Variables in two phases. In the first phase, SCX fixes the controller positions and modifies the other State Variables by the Newton-Raphson method. This first phase is the Systems phase. Once the Newton-Raphson method has solved the problem for the fixed controller positions, SCX next calculates new controller positions based on Newton's method while treating each sensor-controller pair independently but allowing all to change in one iteration. This phase is the Controller phase. SINFAC is available by license for a period of ten (10) years to approved licensees. The licenced program product includes the source code for the additional routines to SINDA, the SINDA object code, command procedures, sample data and supporting documentation. Additional documentation may be purchased at the price below. SINFAC was created for use on a DEC VAX under VMS. Source code is written in FORTRAN 77, requires 180k of memory, and should be fully transportable. The program was developed in 1988.

Fully automated segmentation of left ventricle using dual dynamic programming in cardiac cine MR images

NASA Astrophysics Data System (ADS)

Jiang, Luan; Ling, Shan; Li, Qiang

2016-03-01

Cardiovascular diseases are becoming a leading cause of death all over the world. The cardiac function could be evaluated by global and regional parameters of left ventricle (LV) of the heart. The purpose of this study is to develop and evaluate a fully automated scheme for segmentation of LV in short axis cardiac cine MR images. Our fully automated method consists of three major steps, i.e., LV localization, LV segmentation at end-diastolic phase, and LV segmentation propagation to the other phases. First, the maximum intensity projection image along the time phases of the midventricular slice, located at the center of the image, was calculated to locate the region of interest of LV. Based on the mean intensity of the roughly segmented blood pool in the midventricular slice at each phase, end-diastolic (ED) and end-systolic (ES) phases were determined. Second, the endocardial and epicardial boundaries of LV of each slice at ED phase were synchronously delineated by use of a dual dynamic programming technique. The external costs of the endocardial and epicardial boundaries were defined with the gradient values obtained from the original and enhanced images, respectively. Finally, with the advantages of the continuity of the boundaries of LV across adjacent phases, we propagated the LV segmentation from the ED phase to the other phases by use of dual dynamic programming technique. The preliminary results on 9 clinical cardiac cine MR cases show that the proposed method can obtain accurate segmentation of LV based on subjective evaluation.

Second-Order Two-Sided Estimates in Nonlinear Elliptic Problems

NASA Astrophysics Data System (ADS)

Cianchi, Andrea; Maz'ya, Vladimir G.

2018-05-01

Best possible second-order regularity is established for solutions to p-Laplacian type equations with {p \\in (1, ∞)} and a square-integrable right-hand side. Our results provide a nonlinear counterpart of the classical L 2-coercivity theory for linear problems, which is missing in the existing literature. Both local and global estimates are obtained. The latter apply to solutions to either Dirichlet or Neumann boundary value problems. Minimal regularity on the boundary of the domain is required, although our conclusions are new even for smooth domains. If the domain is convex, no regularity of its boundary is needed at all.

Dielectric, Impedance and Conduction Behavior of Double Perovskite Pr2CuTiO6 Ceramics

NASA Astrophysics Data System (ADS)

Mahato, Dev K.; Sinha, T. P.

2017-01-01

Polycrystalline Pr2CuTiO6 (PCT) ceramics exhibits dielectric, impedance and modulus characteristics as a possible material for microelectronic devices. PCT was synthesized through the standard solid-state reaction method. The dielectric permittivity, impedance and electric modulus of PCT have been studied in a wide frequency (100 Hz-1 MHz) and temperature (303-593 K) range. Structural analysis of the compound revealed a monoclinic phase at room temperature. Complex impedance Cole-Cole plots are used to interpret the relaxation mechanism, and grain boundary contributions towards conductivity have been estimated. From electrical modulus formalism polarization and conductivity relaxation behavior in PCT have been discussed. Normalization of the imaginary part of impedance ( Z″) and the normalized imaginary part of modulus ( M″) indicates contributions from both long-range and localized relaxation effects. The grain boundary resistance along with their relaxation frequencies are plotted in the form of an Arrhenius plot with activation energy 0.45 eV and 0.46 eV, respectively. The ac conductivity mechanism has been discussed.

Impact of tides in a baroclinic circulation model of the Adriatic Sea

NASA Astrophysics Data System (ADS)

Guarnieri, A.; Pinardi, N.; Oddo, P.; Bortoluzzi, G.; Ravaioli, M.

2013-01-01